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 1zob_1_A DATA FIRST_RESID 3 DATA SEQUENCE LNDDATFWRN ARHHLVRYGG TFEPMIIERA KGSFVYDADG RAILDFTSGQ DATA SEQUENCE MSAVLGHCHP EIVSVIGEYA GKLDHLFSEM LSRPVVDLAT RLANITPPGL DATA SEQUENCE DRALLLSTGA ESNEAAIRMA KLVTGKYEIV GFAQSWHGMT GAAASATYSA DATA SEQUENCE GRKGVGPAAV GSFAIPAPFT YRPRFERNGA YDYLAELDYA FDLIDRQSSG DATA SEQUENCE NLAAFIAEPI LSSGGIIELP DGYMAALKRK CEARGMLLIL DEAQTGVGRT DATA SEQUENCE GTMFACQRDG VTPDILTLSK TLGAGLPLAA IVTSAAIEER AHELGYLFYT DATA SEQUENCE THVSDPLPAA VGLRVLDVVQ RDGLVARANV MGDRLRRGLL DLMERFDCIG DATA SEQUENCE DVRGRGLLLG VEIVKDRRTK EPADGLGAKI TRECMNLGLS MNIVQLPGMG DATA SEQUENCE GVFRIAPPLT VSEDEIDLGL SLLGQAIERA L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.877 176.870 0.011 0.000 1.165 3 L CA 0.000 54.845 54.840 0.009 0.000 0.813 3 L CB 0.000 42.070 42.059 0.019 0.000 0.961 4 N N 0.436 119.158 118.700 0.036 0.000 2.244 4 N HA -0.093 4.647 4.740 0.001 0.000 0.183 4 N C 0.313 175.951 175.510 0.214 0.000 1.016 4 N CA 1.475 54.573 53.050 0.080 0.000 0.866 4 N CB 0.065 38.621 38.487 0.115 0.000 0.980 4 N HN 0.641 nan 8.380 nan 0.000 0.430 5 D N 1.328 121.821 120.400 0.155 0.000 2.315 5 D HA -0.159 4.482 4.640 0.001 0.000 0.211 5 D C 0.120 176.589 176.300 0.281 0.000 0.977 5 D CA 0.546 54.655 54.000 0.181 0.000 0.894 5 D CB -0.536 40.307 40.800 0.071 0.000 0.910 5 D HN 0.204 nan 8.370 nan 0.000 0.490 6 D N 0.758 121.278 120.400 0.199 0.000 5.758 6 D HA -0.159 4.481 4.640 0.001 0.000 0.222 6 D C 1.255 177.734 176.300 0.299 0.000 1.450 6 D CA 0.442 54.547 54.000 0.175 0.000 0.892 6 D CB 0.038 40.880 40.800 0.069 0.000 1.395 6 D HN 0.118 nan 8.370 nan 0.000 0.804 7 A N 3.433 126.386 122.820 0.222 0.000 1.927 7 A HA -0.259 4.062 4.320 0.001 0.000 0.220 7 A C 2.262 179.954 177.584 0.180 0.000 1.185 7 A CA 2.374 54.534 52.037 0.205 0.000 0.639 7 A CB -0.835 18.231 19.000 0.110 0.000 0.820 7 A HN 0.641 nan 8.150 nan 0.000 0.451 8 T N -2.552 112.083 114.554 0.135 0.000 3.035 8 T HA -0.090 4.261 4.350 0.001 0.000 0.268 8 T C 1.474 176.226 174.700 0.087 0.000 1.109 8 T CA 1.468 63.622 62.100 0.090 0.000 1.119 8 T CB -0.449 68.462 68.868 0.072 0.000 0.900 8 T HN 0.447 nan 8.240 nan 0.000 0.503 9 F N -0.148 119.773 119.950 -0.048 0.000 2.149 9 F HA 0.194 4.722 4.527 0.001 0.000 0.294 9 F C 1.488 177.127 175.800 -0.269 0.000 1.095 9 F CA 0.736 58.618 58.000 -0.197 0.000 1.276 9 F CB -0.382 38.426 39.000 -0.321 0.000 1.023 9 F HN 0.200 nan 8.300 nan 0.000 0.480 10 W N 0.743 122.144 121.300 0.168 0.000 2.519 10 W HA 0.047 4.708 4.660 0.001 0.000 0.266 10 W C 2.619 179.062 176.519 -0.126 0.000 1.253 10 W CA 0.922 58.273 57.345 0.009 0.000 1.274 10 W CB -0.388 29.140 29.460 0.114 0.000 1.114 10 W HN -0.049 nan 8.180 nan 0.000 0.596 11 R N 0.852 121.380 120.500 0.047 0.000 2.066 11 R HA -0.138 4.203 4.340 0.001 0.000 0.232 11 R C 1.932 178.095 176.300 -0.229 0.000 1.131 11 R CA 1.796 57.822 56.100 -0.123 0.000 0.955 11 R CB -0.520 29.706 30.300 -0.123 0.000 0.851 11 R HN 0.020 nan 8.270 nan 0.000 0.432 12 N N 0.357 118.952 118.700 -0.175 0.000 2.244 12 N HA -0.120 4.621 4.740 0.001 0.000 0.183 12 N C 1.501 176.872 175.510 -0.233 0.000 1.016 12 N CA 1.296 54.262 53.050 -0.140 0.000 0.866 12 N CB -0.167 38.267 38.487 -0.089 0.000 0.980 12 N HN 0.345 nan 8.380 nan 0.000 0.430 13 A N 2.240 124.841 122.820 -0.366 0.000 1.858 13 A HA -0.178 4.142 4.320 0.001 0.000 0.216 13 A C 2.176 179.654 177.584 -0.177 0.000 1.190 13 A CA 1.563 53.371 52.037 -0.382 0.000 0.617 13 A CB -0.482 18.203 19.000 -0.525 0.000 0.827 13 A HN 0.487 nan 8.150 nan 0.000 0.443 14 R N -1.589 118.864 120.500 -0.079 0.000 2.189 14 R HA -0.028 4.313 4.340 0.001 0.000 0.218 14 R C 1.936 178.218 176.300 -0.030 0.000 1.074 14 R CA 1.476 57.567 56.100 -0.015 0.000 0.991 14 R CB -0.743 29.565 30.300 0.014 0.000 0.883 14 R HN 0.739 nan 8.270 nan 0.000 0.457 15 H N -0.259 118.644 119.070 -0.279 0.000 2.333 15 H HA -0.006 4.550 4.556 0.001 0.000 0.302 15 H C 0.808 175.794 175.328 -0.571 0.000 1.075 15 H CA 1.079 56.817 56.048 -0.517 0.000 1.348 15 H CB 0.332 29.564 29.762 -0.883 0.000 1.393 15 H HN 0.383 nan 8.280 nan 0.000 0.509 16 H N -1.128 117.973 119.070 0.053 0.000 2.785 16 H HA 0.154 4.711 4.556 0.001 0.000 0.268 16 H C -0.653 174.659 175.328 -0.027 0.000 1.153 16 H CA -0.175 55.864 56.048 -0.016 0.000 1.111 16 H CB 0.611 30.347 29.762 -0.043 0.000 1.633 16 H HN 0.088 nan 8.280 nan 0.000 0.576 17 L N 1.884 123.122 121.223 0.025 0.000 2.282 17 L HA 0.248 4.589 4.340 0.001 0.000 0.288 17 L C 0.060 176.968 176.870 0.064 0.000 1.033 17 L CA -0.715 54.132 54.840 0.010 0.000 0.807 17 L CB 1.773 43.760 42.059 -0.120 0.000 1.209 17 L HN -0.139 nan 8.230 nan 0.000 0.423 18 V N 5.551 125.523 119.914 0.095 0.000 2.488 18 V HA 0.317 4.437 4.120 0.001 0.000 0.277 18 V C 0.526 176.670 176.094 0.084 0.000 1.046 18 V CA -0.582 61.779 62.300 0.101 0.000 0.986 18 V CB 0.967 32.866 31.823 0.126 0.000 0.989 18 V HN 0.599 nan 8.190 nan 0.000 0.475 19 R N 4.744 125.260 120.500 0.027 0.000 2.210 19 R HA 0.206 4.547 4.340 0.001 0.000 0.338 19 R C -0.316 175.909 176.300 -0.124 0.000 1.062 19 R CA -0.258 55.764 56.100 -0.130 0.000 0.902 19 R CB 0.279 30.525 30.300 -0.089 0.000 1.050 19 R HN 0.822 nan 8.270 nan 0.000 0.461 20 Y N 0.398 120.732 120.300 0.057 0.000 2.676 20 Y HA 0.405 4.956 4.550 0.001 0.000 0.331 20 Y C 0.697 176.590 175.900 -0.012 0.000 1.128 20 Y CA -1.132 56.992 58.100 0.039 0.000 1.360 20 Y CB -0.336 38.169 38.460 0.075 0.000 1.176 20 Y HN 0.708 nan 8.280 nan 0.000 0.518 21 G N -0.445 108.348 108.800 -0.012 0.000 3.295 21 G HA2 0.427 4.387 3.960 0.001 0.000 0.686 21 G HA3 0.427 4.387 3.960 0.001 0.000 0.686 21 G C -0.115 174.749 174.900 -0.061 0.000 0.958 21 G CA -0.261 44.830 45.100 -0.015 0.000 0.787 21 G HN 1.783 nan 8.290 nan 0.000 0.523 22 G N 0.134 108.845 108.800 -0.149 0.000 2.408 22 G HA2 0.589 4.550 3.960 0.001 0.000 0.682 22 G HA3 0.589 4.550 3.960 0.001 0.000 0.682 22 G C -0.127 174.583 174.900 -0.316 0.000 1.303 22 G CA 0.363 45.360 45.100 -0.171 0.000 0.966 22 G HN 2.791 nan 8.290 nan 0.000 0.560 23 T N -1.751 112.647 114.554 -0.260 0.000 2.841 23 T HA 0.682 5.032 4.350 0.001 0.000 0.283 23 T C -0.449 174.134 174.700 -0.195 0.000 1.000 23 T CA -0.699 61.245 62.100 -0.259 0.000 0.977 23 T CB 1.575 70.383 68.868 -0.101 0.000 0.979 23 T HN 0.793 nan 8.240 nan 0.000 0.446 24 F N 1.547 121.539 119.950 0.069 0.000 2.467 24 F HA 0.419 4.947 4.527 0.001 0.000 0.362 24 F C 1.176 177.079 175.800 0.171 0.000 1.090 24 F CA -0.864 57.227 58.000 0.150 0.000 1.202 24 F CB 0.380 39.519 39.000 0.232 0.000 1.113 24 F HN 0.610 nan 8.300 nan 0.000 0.541 25 E N 5.391 125.814 120.200 0.371 0.000 2.481 25 E HA -0.025 4.326 4.350 0.001 0.000 0.263 25 E C -1.803 174.997 176.600 0.333 0.000 0.992 25 E CA -0.989 55.569 56.400 0.262 0.000 0.938 25 E CB 0.373 30.209 29.700 0.225 0.000 0.933 25 E HN 0.212 nan 8.360 nan 0.000 0.453 26 P HA 0.019 nan 4.420 nan 0.000 0.243 26 P C -0.637 176.787 177.300 0.207 0.000 1.668 26 P CA 0.436 63.563 63.100 0.045 0.000 0.898 26 P CB -0.408 31.239 31.700 -0.089 0.000 1.637 27 M N -1.461 118.376 119.600 0.395 0.000 2.826 27 M HA 0.617 5.097 4.480 0.001 0.000 0.284 27 M C -0.993 175.450 176.300 0.238 0.000 1.191 27 M CA -1.379 54.096 55.300 0.292 0.000 0.745 27 M CB 1.754 34.442 32.600 0.146 0.000 1.750 27 M HN -0.370 nan 8.290 nan 0.000 0.434 28 I N 2.384 122.966 120.570 0.020 0.000 2.563 28 I HA 0.294 4.465 4.170 0.001 0.000 0.281 28 I C -1.149 174.914 176.117 -0.091 0.000 1.110 28 I CA -0.656 60.529 61.300 -0.192 0.000 1.073 28 I CB 1.903 39.610 38.000 -0.489 0.000 1.215 28 I HN 0.520 nan 8.210 nan 0.000 0.460 29 I N 5.638 126.186 120.570 -0.036 0.000 2.379 29 I HA 0.134 4.305 4.170 0.001 0.000 0.290 29 I C 1.088 177.199 176.117 -0.010 0.000 1.063 29 I CA 0.479 61.778 61.300 -0.003 0.000 1.351 29 I CB 0.506 38.511 38.000 0.008 0.000 1.410 29 I HN 0.701 nan 8.210 nan 0.000 0.505 30 E N 4.890 125.098 120.200 0.012 0.000 2.473 30 E HA 0.204 4.554 4.350 0.001 0.000 0.204 30 E C 0.531 177.155 176.600 0.040 0.000 0.994 30 E CA 0.007 56.412 56.400 0.008 0.000 0.945 30 E CB 1.030 30.722 29.700 -0.014 0.000 0.990 30 E HN 0.472 nan 8.360 nan 0.000 0.493 31 R N 0.107 120.667 120.500 0.099 0.000 2.680 31 R HA 0.653 4.994 4.340 0.001 0.000 0.269 31 R C -2.048 174.391 176.300 0.231 0.000 1.026 31 R CA -0.486 55.701 56.100 0.145 0.000 0.889 31 R CB 2.015 32.376 30.300 0.102 0.000 1.241 31 R HN 0.020 nan 8.270 nan 0.000 0.463 32 A N 2.873 125.788 122.820 0.158 0.000 2.459 32 A HA 0.657 4.978 4.320 0.001 0.000 0.296 32 A C -1.700 176.001 177.584 0.196 0.000 1.039 32 A CA -0.593 51.459 52.037 0.025 0.000 0.698 32 A CB 1.854 20.618 19.000 -0.393 0.000 1.261 32 A HN 0.472 nan 8.150 nan 0.000 0.405 33 K N 1.422 122.012 120.400 0.317 0.000 2.535 33 K HA 0.659 4.979 4.320 0.001 0.000 0.251 33 K C 0.813 177.625 176.600 0.353 0.000 0.942 33 K CA 0.768 57.254 56.287 0.333 0.000 0.798 33 K CB 1.523 34.219 32.500 0.327 0.000 1.267 33 K HN 2.158 nan 8.250 nan 0.000 0.434 34 G N 1.975 110.938 108.800 0.272 0.000 2.692 34 G HA2 -0.337 3.624 3.960 0.001 0.000 0.339 34 G HA3 -0.337 3.624 3.960 0.001 0.000 0.339 34 G C 0.350 175.367 174.900 0.195 0.000 1.226 34 G CA 0.785 46.015 45.100 0.217 0.000 0.979 34 G HN 0.650 nan 8.290 nan 0.000 0.549 35 S N 0.857 116.631 115.700 0.125 0.000 2.583 35 S HA 0.585 5.055 4.470 0.001 0.000 0.239 35 S C -0.366 173.910 174.600 -0.539 0.000 0.966 35 S CA 0.095 58.190 58.200 -0.176 0.000 0.973 35 S CB -0.107 62.905 63.200 -0.313 0.000 0.794 35 S HN 0.383 nan 8.310 nan 0.000 0.463 36 F N 0.886 120.881 119.950 0.076 0.000 2.588 36 F HA 0.649 5.176 4.527 0.001 0.000 0.314 36 F C -0.255 175.323 175.800 -0.369 0.000 1.069 36 F CA -1.296 56.596 58.000 -0.181 0.000 0.931 36 F CB 1.681 40.485 39.000 -0.326 0.000 1.260 36 F HN -0.110 nan 8.300 nan 0.000 0.465 37 V N -0.672 119.020 119.914 -0.371 0.000 2.876 37 V HA 0.693 4.813 4.120 0.001 0.000 0.312 37 V C -1.809 173.959 176.094 -0.543 0.000 1.085 37 V CA -1.141 60.929 62.300 -0.383 0.000 0.945 37 V CB 1.730 33.409 31.823 -0.241 0.000 1.017 37 V HN 0.670 nan 8.190 nan 0.000 0.428 38 Y N 1.465 121.770 120.300 0.008 0.000 2.446 38 Y HA 0.681 5.231 4.550 0.001 0.000 0.345 38 Y C 0.167 176.062 175.900 -0.009 0.000 0.984 38 Y CA -0.799 57.307 58.100 0.009 0.000 1.058 38 Y CB 1.627 40.084 38.460 -0.003 0.000 1.220 38 Y HN 0.964 nan 8.280 nan 0.000 0.455 39 D N 0.624 121.099 120.400 0.125 0.000 2.478 39 D HA 0.392 5.032 4.640 0.001 0.000 0.274 39 D C 1.190 177.514 176.300 0.040 0.000 1.234 39 D CA -0.235 53.801 54.000 0.059 0.000 1.069 39 D CB 0.351 41.178 40.800 0.045 0.000 1.113 39 D HN 0.538 nan 8.370 nan 0.000 0.571 40 A N -0.536 122.280 122.820 -0.007 0.000 1.978 40 A HA -0.183 4.138 4.320 0.001 0.000 0.220 40 A C 1.527 179.109 177.584 -0.004 0.000 1.170 40 A CA 1.695 53.714 52.037 -0.029 0.000 0.636 40 A CB -0.747 18.216 19.000 -0.061 0.000 0.810 40 A HN 0.583 nan 8.150 nan 0.000 0.448 41 D N -1.595 118.813 120.400 0.014 0.000 2.355 41 D HA 0.212 4.852 4.640 0.001 0.000 0.218 41 D C 1.401 177.716 176.300 0.025 0.000 1.004 41 D CA 1.094 55.102 54.000 0.015 0.000 0.880 41 D CB 0.113 40.923 40.800 0.018 0.000 0.911 41 D HN 0.636 nan 8.370 nan 0.000 0.528 42 G N 1.857 110.689 108.800 0.052 0.000 2.175 42 G HA2 -0.320 3.641 3.960 0.001 0.000 0.244 42 G HA3 -0.320 3.641 3.960 0.001 0.000 0.244 42 G C 0.470 175.466 174.900 0.160 0.000 0.982 42 G CA -0.052 45.094 45.100 0.077 0.000 0.641 42 G HN 0.375 nan 8.290 nan 0.000 0.527 43 R N 0.973 121.545 120.500 0.120 0.000 2.484 43 R HA 0.523 4.864 4.340 0.001 0.000 0.293 43 R C 0.881 177.258 176.300 0.128 0.000 1.023 43 R CA 0.497 56.658 56.100 0.101 0.000 1.037 43 R CB 0.132 30.464 30.300 0.053 0.000 0.951 43 R HN 0.660 nan 8.270 nan 0.000 0.418 44 A N 5.956 128.841 122.820 0.108 0.000 2.401 44 A HA 0.394 4.714 4.320 0.001 0.000 0.259 44 A C -0.181 177.405 177.584 0.003 0.000 1.103 44 A CA -0.372 51.638 52.037 -0.046 0.000 0.789 44 A CB 0.388 19.340 19.000 -0.080 0.000 1.035 44 A HN 0.779 nan 8.150 nan 0.000 0.491 45 I N 2.787 123.348 120.570 -0.015 0.000 2.447 45 I HA 0.181 4.351 4.170 0.001 0.000 0.287 45 I C -0.728 175.407 176.117 0.031 0.000 1.023 45 I CA -0.792 60.525 61.300 0.028 0.000 1.083 45 I CB 1.765 39.745 38.000 -0.034 0.000 1.245 45 I HN 0.575 nan 8.210 nan 0.000 0.434 46 L N 6.278 127.477 121.223 -0.040 0.000 2.433 46 L HA 0.160 4.501 4.340 0.001 0.000 0.275 46 L C 0.260 177.012 176.870 -0.198 0.000 1.128 46 L CA 0.541 55.164 54.840 -0.362 0.000 0.875 46 L CB 0.110 41.945 42.059 -0.373 0.000 1.171 46 L HN 0.457 nan 8.230 nan 0.000 0.463 47 D N 4.831 125.148 120.400 -0.138 0.000 2.435 47 D HA 0.004 4.644 4.640 0.001 0.000 0.230 47 D C -0.002 176.435 176.300 0.229 0.000 1.215 47 D CA -0.061 53.974 54.000 0.059 0.000 0.947 47 D CB 0.066 40.938 40.800 0.119 0.000 1.048 47 D HN 0.386 nan 8.370 nan 0.000 0.512 48 F N 1.709 121.611 119.950 -0.079 0.000 2.777 48 F HA 0.094 4.621 4.527 0.001 0.000 0.291 48 F C 1.732 177.512 175.800 -0.034 0.000 1.187 48 F CA 0.001 57.961 58.000 -0.067 0.000 1.406 48 F CB -0.169 38.792 39.000 -0.066 0.000 0.982 48 F HN 0.292 nan 8.300 nan 0.000 0.509 49 T N -6.089 108.522 114.554 0.095 0.000 3.130 49 T HA 0.095 4.446 4.350 0.001 0.000 0.288 49 T C 0.764 175.463 174.700 -0.002 0.000 0.936 49 T CA 0.188 62.311 62.100 0.039 0.000 0.897 49 T CB -0.221 68.685 68.868 0.063 0.000 1.178 49 T HN -0.124 nan 8.240 nan 0.000 0.543 50 S N 1.532 117.216 115.700 -0.026 0.000 3.491 50 S HA 0.007 4.478 4.470 0.001 0.000 0.371 50 S C 1.613 176.172 174.600 -0.069 0.000 0.980 50 S CA 1.223 59.368 58.200 -0.092 0.000 1.204 50 S CB -1.855 61.281 63.200 -0.107 0.000 0.915 50 S HN 1.864 nan 8.310 nan 0.000 0.482 51 G N 0.817 109.634 108.800 0.028 0.000 2.595 51 G HA2 -0.361 3.599 3.960 0.001 0.000 0.297 51 G HA3 -0.361 3.599 3.960 0.001 0.000 0.297 51 G C -0.113 174.820 174.900 0.054 0.000 1.181 51 G CA 0.701 45.859 45.100 0.097 0.000 0.963 51 G HN 0.923 nan 8.290 nan 0.000 0.541 52 Q N 0.511 120.329 119.800 0.031 0.000 2.769 52 Q HA 0.637 4.978 4.340 0.001 0.000 0.375 52 Q C 1.055 177.053 176.000 -0.003 0.000 0.996 52 Q CA 0.257 56.068 55.803 0.013 0.000 1.042 52 Q CB -0.405 28.343 28.738 0.016 0.000 1.329 52 Q HN 0.675 nan 8.270 nan 0.000 0.427 53 M N -1.063 118.528 119.600 -0.014 0.000 2.856 53 M HA -0.312 4.169 4.480 0.001 0.000 0.189 53 M C 0.190 176.475 176.300 -0.024 0.000 0.612 53 M CA 0.995 56.281 55.300 -0.024 0.000 0.673 53 M CB -2.767 29.823 32.600 -0.017 0.000 2.440 53 M HN 0.378 nan 8.290 nan 0.000 0.437 54 S N 0.234 115.918 115.700 -0.028 0.000 2.460 54 S HA 0.417 4.888 4.470 0.001 0.000 0.185 54 S C 1.067 175.629 174.600 -0.064 0.000 0.908 54 S CA 0.396 58.578 58.200 -0.030 0.000 0.894 54 S CB -0.035 63.159 63.200 -0.010 0.000 0.855 54 S HN 0.713 nan 8.310 nan 0.000 0.574 55 A N 2.929 125.689 122.820 -0.101 0.000 3.149 55 A HA 0.053 4.374 4.320 0.001 0.000 0.291 55 A C 1.350 178.850 177.584 -0.140 0.000 1.907 55 A CA 0.377 52.319 52.037 -0.158 0.000 1.255 55 A CB -1.046 17.736 19.000 -0.362 0.000 0.873 55 A HN 0.600 nan 8.150 nan 0.000 0.578 56 V N 0.669 120.526 119.914 -0.095 0.000 2.719 56 V HA -0.014 4.106 4.120 0.001 0.000 0.252 56 V C 1.382 177.432 176.094 -0.073 0.000 1.065 56 V CA 1.460 63.708 62.300 -0.086 0.000 1.086 56 V CB -0.618 31.160 31.823 -0.077 0.000 0.700 56 V HN 0.616 nan 8.190 nan 0.000 0.467 57 L N 1.976 123.159 121.223 -0.068 0.000 2.688 57 L HA 0.599 4.940 4.340 0.001 0.000 0.234 57 L C 1.202 178.121 176.870 0.082 0.000 1.192 57 L CA 0.350 55.175 54.840 -0.026 0.000 0.984 57 L CB -1.001 40.956 42.059 -0.170 0.000 1.232 57 L HN 0.640 nan 8.230 nan 0.000 0.465 58 G N -0.196 108.594 108.800 -0.017 0.000 2.855 58 G HA2 -0.221 3.740 3.960 0.001 0.000 0.352 58 G HA3 -0.221 3.740 3.960 0.001 0.000 0.352 58 G C -0.443 174.427 174.900 -0.050 0.000 1.415 58 G CA -0.813 44.267 45.100 -0.032 0.000 0.871 58 G HN 0.277 nan 8.290 nan 0.000 0.543 59 H N -0.729 118.395 119.070 0.089 0.000 2.652 59 H HA 0.259 4.816 4.556 0.001 0.000 0.349 59 H C 1.583 176.981 175.328 0.116 0.000 1.099 59 H CA 0.693 56.799 56.048 0.096 0.000 1.417 59 H CB 0.517 30.337 29.762 0.095 0.000 1.457 59 H HN 1.231 nan 8.280 nan 0.000 0.568 60 C N 3.088 122.534 119.300 0.243 0.000 3.592 60 C HA -0.201 4.259 4.460 0.001 0.000 0.281 60 C C 1.127 176.217 174.990 0.167 0.000 1.400 60 C CA 0.206 59.332 59.018 0.179 0.000 2.104 60 C CB -3.011 24.821 27.740 0.154 0.000 1.369 60 C HN 0.740 nan 8.230 nan 0.000 0.597 61 H N 3.240 122.355 119.070 0.076 0.000 3.026 61 H HA 0.083 4.639 4.556 0.001 0.000 0.289 61 H C -0.479 174.881 175.328 0.053 0.000 1.022 61 H CA -0.775 55.308 56.048 0.058 0.000 1.477 61 H CB 1.064 30.848 29.762 0.036 0.000 1.510 61 H HN 0.303 nan 8.280 nan 0.000 0.535 62 P HA -0.250 nan 4.420 nan 0.000 0.218 62 P C 1.157 178.573 177.300 0.194 0.000 1.152 62 P CA 1.202 64.349 63.100 0.078 0.000 0.857 62 P CB 0.513 32.197 31.700 -0.028 0.000 0.787 63 E N -0.620 119.826 120.200 0.410 0.000 2.110 63 E HA -0.115 4.236 4.350 0.001 0.000 0.193 63 E C 2.118 178.811 176.600 0.155 0.000 0.988 63 E CA 0.861 57.417 56.400 0.259 0.000 0.804 63 E CB -0.434 29.398 29.700 0.220 0.000 0.745 63 E HN 0.284 nan 8.360 nan 0.000 0.458 64 I N 0.399 121.068 120.570 0.166 0.000 2.406 64 I HA -0.150 4.020 4.170 0.001 0.000 0.249 64 I C 2.460 178.639 176.117 0.102 0.000 1.122 64 I CA 0.578 61.932 61.300 0.090 0.000 1.431 64 I CB -1.270 36.772 38.000 0.069 0.000 1.087 64 I HN -0.089 nan 8.210 nan 0.000 0.424 65 V N 0.392 120.379 119.914 0.121 0.000 2.407 65 V HA -0.243 3.878 4.120 0.001 0.000 0.248 65 V C 2.752 178.899 176.094 0.087 0.000 1.055 65 V CA 1.937 64.294 62.300 0.096 0.000 1.049 65 V CB -0.802 31.073 31.823 0.088 0.000 0.662 65 V HN 0.436 nan 8.190 nan 0.000 0.455 66 S N -0.368 115.388 115.700 0.094 0.000 2.344 66 S HA -0.190 4.281 4.470 0.001 0.000 0.217 66 S C 2.092 176.752 174.600 0.099 0.000 1.033 66 S CA 1.953 60.204 58.200 0.084 0.000 1.017 66 S CB -0.312 62.938 63.200 0.084 0.000 0.941 66 S HN 0.287 nan 8.310 nan 0.000 0.430 67 V N 1.918 121.904 119.914 0.120 0.000 2.392 67 V HA -0.143 3.978 4.120 0.001 0.000 0.249 67 V C 2.139 178.358 176.094 0.209 0.000 1.059 67 V CA 2.116 64.523 62.300 0.179 0.000 1.051 67 V CB -0.558 31.350 31.823 0.141 0.000 0.658 67 V HN 0.597 nan 8.190 nan 0.000 0.455 68 I N 0.125 120.777 120.570 0.137 0.000 2.113 68 I HA -0.161 4.010 4.170 0.001 0.000 0.238 68 I C 2.641 178.833 176.117 0.126 0.000 1.070 68 I CA 1.785 63.160 61.300 0.126 0.000 1.332 68 I CB -1.238 36.813 38.000 0.086 0.000 1.044 68 I HN 0.427 nan 8.210 nan 0.000 0.402 69 G N 0.336 109.190 108.800 0.091 0.000 2.446 69 G HA2 -0.331 3.630 3.960 0.001 0.000 0.217 69 G HA3 -0.331 3.630 3.960 0.001 0.000 0.217 69 G C 1.503 176.434 174.900 0.051 0.000 1.168 69 G CA 1.001 46.139 45.100 0.064 0.000 0.771 69 G HN 0.524 nan 8.290 nan 0.000 0.551 70 E N -1.014 119.214 120.200 0.047 0.000 2.233 70 E HA -0.208 4.143 4.350 0.001 0.000 0.199 70 E C 1.761 178.261 176.600 -0.166 0.000 1.004 70 E CA 1.105 57.482 56.400 -0.039 0.000 0.819 70 E CB -0.176 29.518 29.700 -0.011 0.000 0.738 70 E HN 0.644 nan 8.360 nan 0.000 0.478 71 Y N -1.306 119.011 120.300 0.029 0.000 2.581 71 Y HA 0.341 4.893 4.550 0.002 0.000 0.271 71 Y C 2.111 178.032 175.900 0.035 0.000 1.100 71 Y CA 0.431 58.550 58.100 0.032 0.000 1.281 71 Y CB 0.079 38.559 38.460 0.033 0.000 1.237 71 Y HN 0.113 nan 8.280 nan 0.000 0.514 72 A N -0.102 122.817 122.820 0.165 0.000 2.024 72 A HA -0.139 4.182 4.320 0.001 0.000 0.220 72 A C 2.318 179.947 177.584 0.075 0.000 1.164 72 A CA 2.013 54.117 52.037 0.112 0.000 0.643 72 A CB -1.175 17.874 19.000 0.082 0.000 0.806 72 A HN 0.451 nan 8.150 nan 0.000 0.451 73 G N -1.849 106.976 108.800 0.043 0.000 2.887 73 G HA2 0.104 4.065 3.960 0.001 0.000 0.211 73 G HA3 0.104 4.065 3.960 0.001 0.000 0.211 73 G C 1.448 176.346 174.900 -0.002 0.000 1.152 73 G CA 0.708 45.818 45.100 0.017 0.000 0.769 73 G HN 0.483 nan 8.290 nan 0.000 0.541 74 K N -1.009 119.376 120.400 -0.024 0.000 2.286 74 K HA 0.435 4.756 4.320 0.001 0.000 0.203 74 K C -0.132 176.488 176.600 0.033 0.000 1.078 74 K CA 0.069 56.328 56.287 -0.048 0.000 0.957 74 K CB 0.287 32.671 32.500 -0.194 0.000 1.018 74 K HN 0.087 nan 8.250 nan 0.000 0.484 75 L N 1.719 123.017 121.223 0.125 0.000 2.439 75 L HA 0.185 4.526 4.340 0.001 0.000 0.270 75 L C -0.802 176.199 176.870 0.218 0.000 0.972 75 L CA -0.463 54.495 54.840 0.196 0.000 0.836 75 L CB 1.852 44.089 42.059 0.295 0.000 1.255 75 L HN 0.292 nan 8.230 nan 0.000 0.404 76 D N 0.570 121.069 120.400 0.166 0.000 3.239 76 D HA 0.063 4.704 4.640 0.001 0.000 0.265 76 D C 0.132 176.561 176.300 0.214 0.000 1.442 76 D CA 0.426 54.530 54.000 0.174 0.000 1.178 76 D CB 0.407 41.299 40.800 0.153 0.000 1.198 76 D HN 0.442 nan 8.370 nan 0.000 0.366 77 H N -0.425 118.704 119.070 0.099 0.000 2.679 77 H HA 0.699 5.255 4.556 0.001 0.000 0.360 77 H C -1.359 174.034 175.328 0.108 0.000 1.105 77 H CA -0.732 55.382 56.048 0.111 0.000 1.196 77 H CB 1.362 31.198 29.762 0.123 0.000 1.636 77 H HN 0.046 nan 8.280 nan 0.000 0.531 78 L N 3.074 124.056 121.223 -0.402 0.000 2.257 78 L HA 0.385 4.726 4.340 0.001 0.000 0.257 78 L C -0.547 176.137 176.870 -0.311 0.000 1.033 78 L CA -1.373 53.305 54.840 -0.270 0.000 0.835 78 L CB 1.472 43.495 42.059 -0.060 0.000 1.398 78 L HN 0.512 nan 8.230 nan 0.000 0.429 79 F N 0.370 120.179 119.950 -0.234 0.000 2.484 79 F HA 0.076 4.603 4.527 0.001 0.000 0.360 79 F C 1.435 177.180 175.800 -0.092 0.000 1.101 79 F CA -0.326 57.583 58.000 -0.151 0.000 1.251 79 F CB 1.071 40.020 39.000 -0.086 0.000 1.132 79 F HN 0.527 nan 8.300 nan 0.000 0.570 80 S N 2.365 117.724 115.700 -0.567 0.000 2.441 80 S HA -0.251 4.220 4.470 0.001 0.000 0.242 80 S C 1.335 175.715 174.600 -0.367 0.000 1.018 80 S CA 1.639 59.592 58.200 -0.411 0.000 0.988 80 S CB -0.364 62.610 63.200 -0.377 0.000 0.778 80 S HN 0.707 nan 8.310 nan 0.000 0.498 81 E N 0.186 120.053 120.200 -0.555 0.000 2.489 81 E HA 0.286 4.637 4.350 0.001 0.000 0.193 81 E C 0.111 176.723 176.600 0.020 0.000 1.057 81 E CA 0.155 56.450 56.400 -0.175 0.000 0.866 81 E CB -0.007 29.654 29.700 -0.064 0.000 0.916 81 E HN 0.565 nan 8.360 nan 0.000 0.500 82 M N 0.990 120.612 119.600 0.036 0.000 2.205 82 M HA 0.322 4.802 4.480 0.001 0.000 0.344 82 M C -0.671 175.646 176.300 0.029 0.000 1.085 82 M CA -0.407 54.930 55.300 0.062 0.000 1.001 82 M CB 1.450 34.106 32.600 0.094 0.000 1.626 82 M HN -0.146 nan 8.290 nan 0.000 0.442 83 L N 2.409 123.650 121.223 0.030 0.000 2.334 83 L HA 0.543 4.883 4.340 0.001 0.000 0.277 83 L C 0.404 177.292 176.870 0.030 0.000 1.075 83 L CA -0.319 54.535 54.840 0.024 0.000 0.804 83 L CB 1.547 43.618 42.059 0.020 0.000 1.174 83 L HN 0.804 nan 8.230 nan 0.000 0.438 84 S N 1.886 117.604 115.700 0.030 0.000 2.823 84 S HA 0.527 4.997 4.470 0.001 0.000 0.316 84 S C 0.573 175.194 174.600 0.036 0.000 1.116 84 S CA -0.954 57.271 58.200 0.041 0.000 0.911 84 S CB 1.946 65.176 63.200 0.051 0.000 1.276 84 S HN 0.555 nan 8.310 nan 0.000 0.565 85 R N 0.244 120.774 120.500 0.051 0.000 2.100 85 R HA 0.165 4.506 4.340 0.001 0.000 0.220 85 R C -1.037 175.274 176.300 0.018 0.000 1.091 85 R CA 0.580 56.706 56.100 0.044 0.000 0.986 85 R CB -1.362 28.979 30.300 0.069 0.000 0.888 85 R HN 0.490 nan 8.270 nan 0.000 0.444 86 P HA -0.105 nan 4.420 nan 0.000 0.218 86 P C 1.266 178.536 177.300 -0.050 0.000 1.149 86 P CA 1.029 64.081 63.100 -0.081 0.000 0.817 86 P CB 0.153 31.725 31.700 -0.214 0.000 0.785 87 V N -0.594 119.306 119.914 -0.024 0.000 2.270 87 V HA -0.172 3.949 4.120 0.001 0.000 0.245 87 V C 2.400 178.492 176.094 -0.004 0.000 1.043 87 V CA 1.699 63.993 62.300 -0.010 0.000 1.014 87 V CB -1.155 30.671 31.823 0.004 0.000 0.645 87 V HN -0.052 nan 8.190 nan 0.000 0.447 88 V N 0.257 120.172 119.914 0.001 0.000 2.515 88 V HA -0.212 3.908 4.120 0.001 0.000 0.250 88 V C 2.189 178.284 176.094 0.002 0.000 1.058 88 V CA 1.986 64.288 62.300 0.003 0.000 1.064 88 V CB -0.643 31.184 31.823 0.007 0.000 0.675 88 V HN 0.575 nan 8.190 nan 0.000 0.461 89 D N -0.352 120.049 120.400 0.001 0.000 2.162 89 D HA -0.072 4.568 4.640 0.001 0.000 0.203 89 D C 2.105 178.404 176.300 -0.001 0.000 0.967 89 D CA 0.783 54.784 54.000 0.002 0.000 0.840 89 D CB -0.095 40.708 40.800 0.005 0.000 0.972 89 D HN 0.303 nan 8.370 nan 0.000 0.482 90 L N 0.825 122.043 121.223 -0.009 0.000 2.017 90 L HA -0.169 4.172 4.340 0.001 0.000 0.208 90 L C 2.259 179.131 176.870 0.003 0.000 1.073 90 L CA 1.414 56.251 54.840 -0.006 0.000 0.745 90 L CB -0.275 41.774 42.059 -0.016 0.000 0.894 90 L HN -0.048 nan 8.230 nan 0.000 0.432 91 A N -0.897 121.923 122.820 -0.000 0.000 1.902 91 A HA -0.218 4.103 4.320 0.001 0.000 0.217 91 A C 2.196 179.779 177.584 -0.002 0.000 1.181 91 A CA 2.351 54.387 52.037 -0.002 0.000 0.623 91 A CB -0.957 18.040 19.000 -0.006 0.000 0.818 91 A HN 0.485 nan 8.150 nan 0.000 0.443 92 T N -0.803 113.751 114.554 0.001 0.000 2.777 92 T HA -0.122 4.228 4.350 0.001 0.000 0.266 92 T C 2.123 176.829 174.700 0.010 0.000 1.040 92 T CA 1.657 63.759 62.100 0.002 0.000 1.141 92 T CB -0.223 68.648 68.868 0.004 0.000 0.868 92 T HN 0.508 nan 8.240 nan 0.000 0.444 93 R N 1.356 121.865 120.500 0.015 0.000 2.080 93 R HA 0.031 4.372 4.340 0.001 0.000 0.236 93 R C 2.253 178.580 176.300 0.044 0.000 1.137 93 R CA 1.527 57.643 56.100 0.026 0.000 0.943 93 R CB -1.140 29.174 30.300 0.024 0.000 0.846 93 R HN 0.383 nan 8.270 nan 0.000 0.431 94 L N -0.132 121.117 121.223 0.043 0.000 2.081 94 L HA -0.182 4.159 4.340 0.001 0.000 0.212 94 L C 2.462 179.346 176.870 0.023 0.000 1.080 94 L CA 1.458 56.331 54.840 0.055 0.000 0.754 94 L CB -0.664 41.412 42.059 0.028 0.000 0.893 94 L HN 0.392 nan 8.230 nan 0.000 0.433 95 A N 0.045 122.867 122.820 0.004 0.000 1.898 95 A HA -0.181 4.140 4.320 0.001 0.000 0.216 95 A C 2.027 179.615 177.584 0.006 0.000 1.181 95 A CA 1.643 53.672 52.037 -0.012 0.000 0.620 95 A CB -0.467 18.523 19.000 -0.016 0.000 0.819 95 A HN 0.412 nan 8.150 nan 0.000 0.442 96 N N 0.391 119.105 118.700 0.023 0.000 2.244 96 N HA -0.111 4.629 4.740 0.001 0.000 0.183 96 N C 1.559 177.104 175.510 0.058 0.000 1.016 96 N CA 1.755 54.824 53.050 0.032 0.000 0.866 96 N CB -0.427 38.076 38.487 0.027 0.000 0.980 96 N HN 0.791 nan 8.380 nan 0.000 0.430 97 I N -1.633 118.997 120.570 0.100 0.000 3.883 97 I HA 0.162 4.333 4.170 0.001 0.000 0.326 97 I C 0.070 176.370 176.117 0.305 0.000 1.283 97 I CA -0.131 61.271 61.300 0.170 0.000 1.161 97 I CB -0.160 37.946 38.000 0.176 0.000 1.012 97 I HN -0.164 nan 8.210 nan 0.000 0.421 98 T N -0.855 113.793 114.554 0.156 0.000 2.902 98 T HA 0.539 4.890 4.350 0.001 0.000 0.283 98 T C -2.546 172.154 174.700 -0.000 0.000 1.009 98 T CA -2.057 60.045 62.100 0.003 0.000 1.051 98 T CB 1.064 69.779 68.868 -0.254 0.000 0.999 98 T HN -0.126 nan 8.240 nan 0.000 0.474 99 P HA 0.089 nan 4.420 nan 0.000 0.265 99 P C -2.392 174.894 177.300 -0.023 0.000 1.167 99 P CA -0.522 62.576 63.100 -0.003 0.000 0.760 99 P CB -0.628 31.060 31.700 -0.019 0.000 0.783 100 P HA 0.033 nan 4.420 nan 0.000 0.265 100 P C 1.063 178.345 177.300 -0.030 0.000 1.187 100 P CA 1.487 64.577 63.100 -0.017 0.000 0.766 100 P CB 0.205 31.899 31.700 -0.009 0.000 0.820 101 G N 1.899 110.678 108.800 -0.035 0.000 2.561 101 G HA2 -0.188 3.773 3.960 0.001 0.000 0.203 101 G HA3 -0.188 3.773 3.960 0.001 0.000 0.203 101 G C -0.209 174.657 174.900 -0.057 0.000 1.101 101 G CA -0.490 44.584 45.100 -0.044 0.000 0.711 101 G HN 0.469 nan 8.290 nan 0.000 0.511 102 L N 2.690 123.872 121.223 -0.070 0.000 2.454 102 L HA 0.356 4.696 4.340 0.001 0.000 0.284 102 L C 0.449 177.276 176.870 -0.071 0.000 1.139 102 L CA -0.271 54.516 54.840 -0.088 0.000 0.911 102 L CB 0.506 42.489 42.059 -0.128 0.000 1.262 102 L HN 0.225 nan 8.230 nan 0.000 0.453 103 D N 2.005 122.366 120.400 -0.064 0.000 2.431 103 D HA 0.105 4.745 4.640 0.001 0.000 0.227 103 D C 0.645 176.914 176.300 -0.052 0.000 1.030 103 D CA 0.491 54.460 54.000 -0.051 0.000 0.897 103 D CB 0.763 41.536 40.800 -0.045 0.000 1.058 103 D HN 0.431 nan 8.370 nan 0.000 0.500 104 R N 0.511 120.973 120.500 -0.064 0.000 2.599 104 R HA 0.718 5.059 4.340 0.001 0.000 0.295 104 R C -0.796 175.464 176.300 -0.067 0.000 0.963 104 R CA -0.512 55.551 56.100 -0.061 0.000 0.883 104 R CB 2.580 32.840 30.300 -0.067 0.000 1.171 104 R HN -0.069 nan 8.270 nan 0.000 0.450 105 A N 2.436 125.226 122.820 -0.051 0.000 2.350 105 A HA 0.740 5.061 4.320 0.001 0.000 0.318 105 A C -1.554 176.012 177.584 -0.029 0.000 1.132 105 A CA -0.665 51.344 52.037 -0.047 0.000 0.811 105 A CB 1.447 20.427 19.000 -0.034 0.000 1.313 105 A HN 0.531 nan 8.150 nan 0.000 0.454 106 L N 0.954 122.163 121.223 -0.024 0.000 2.385 106 L HA 0.650 4.990 4.340 0.001 0.000 0.273 106 L C -1.406 175.475 176.870 0.018 0.000 0.990 106 L CA -0.259 54.585 54.840 0.007 0.000 0.821 106 L CB 1.475 43.538 42.059 0.008 0.000 1.279 106 L HN 0.602 nan 8.230 nan 0.000 0.412 107 L N 6.386 127.634 121.223 0.041 0.000 2.272 107 L HA 0.520 4.860 4.340 0.001 0.000 0.289 107 L C -0.322 176.600 176.870 0.085 0.000 1.032 107 L CA -0.283 54.587 54.840 0.050 0.000 0.810 107 L CB 1.146 43.230 42.059 0.042 0.000 1.205 107 L HN 0.664 nan 8.230 nan 0.000 0.422 108 L N 1.078 122.355 121.223 0.089 0.000 2.426 108 L HA 0.537 4.878 4.340 0.001 0.000 0.260 108 L C 0.784 177.725 176.870 0.118 0.000 1.233 108 L CA -0.431 54.487 54.840 0.129 0.000 1.267 108 L CB 1.426 43.572 42.059 0.146 0.000 1.814 108 L HN 0.453 nan 8.230 nan 0.000 0.561 109 S N -1.813 113.965 115.700 0.131 0.000 2.593 109 S HA 0.136 4.606 4.470 0.001 0.000 0.235 109 S C 0.081 174.729 174.600 0.081 0.000 1.059 109 S CA 0.196 58.458 58.200 0.103 0.000 0.953 109 S CB 0.752 64.036 63.200 0.140 0.000 0.897 109 S HN 0.812 nan 8.310 nan 0.000 0.507 110 T N -2.007 112.602 114.554 0.091 0.000 2.868 110 T HA 0.621 4.972 4.350 0.001 0.000 0.306 110 T C 1.110 175.853 174.700 0.072 0.000 1.224 110 T CA -0.082 62.065 62.100 0.077 0.000 1.012 110 T CB 1.287 70.201 68.868 0.077 0.000 1.221 110 T HN -0.043 nan 8.240 nan 0.000 0.499 111 G N 0.523 109.365 108.800 0.070 0.000 2.421 111 G HA2 0.078 4.039 3.960 0.001 0.000 0.216 111 G HA3 0.078 4.039 3.960 0.001 0.000 0.216 111 G C 1.732 176.661 174.900 0.049 0.000 1.171 111 G CA 0.975 46.115 45.100 0.066 0.000 0.775 111 G HN 1.255 nan 8.290 nan 0.000 0.543 112 A N 0.676 123.522 122.820 0.043 0.000 1.917 112 A HA -0.122 4.199 4.320 0.001 0.000 0.219 112 A C 2.146 179.755 177.584 0.042 0.000 1.182 112 A CA 2.174 54.219 52.037 0.013 0.000 0.633 112 A CB -0.530 18.467 19.000 -0.005 0.000 0.819 112 A HN 0.470 nan 8.150 nan 0.000 0.448 113 E N -0.090 120.160 120.200 0.082 0.000 2.051 113 E HA -0.175 4.176 4.350 0.001 0.000 0.192 113 E C 2.406 179.050 176.600 0.073 0.000 0.991 113 E CA 1.573 58.066 56.400 0.156 0.000 0.799 113 E CB -0.095 29.712 29.700 0.179 0.000 0.748 113 E HN 0.822 nan 8.360 nan 0.000 0.449 114 S N 0.759 116.471 115.700 0.021 0.000 2.383 114 S HA -0.124 4.347 4.470 0.001 0.000 0.227 114 S C 1.686 176.228 174.600 -0.097 0.000 1.026 114 S CA 1.019 59.189 58.200 -0.051 0.000 0.981 114 S CB -0.312 62.880 63.200 -0.013 0.000 0.818 114 S HN 0.205 nan 8.310 nan 0.000 0.472 115 N N 1.517 120.183 118.700 -0.057 0.000 2.244 115 N HA -0.026 4.714 4.740 0.001 0.000 0.183 115 N C 1.737 177.183 175.510 -0.106 0.000 1.016 115 N CA 1.107 54.104 53.050 -0.088 0.000 0.866 115 N CB -0.352 38.089 38.487 -0.077 0.000 0.980 115 N HN 0.480 nan 8.380 nan 0.000 0.430 116 E N 1.468 121.628 120.200 -0.066 0.000 2.038 116 E HA -0.111 4.240 4.350 0.001 0.000 0.195 116 E C 1.980 178.474 176.600 -0.177 0.000 1.000 116 E CA 0.905 57.297 56.400 -0.013 0.000 0.803 116 E CB -0.376 29.441 29.700 0.195 0.000 0.750 116 E HN 0.284 nan 8.360 nan 0.000 0.448 117 A N 1.675 124.162 122.820 -0.554 0.000 1.873 117 A HA -0.205 4.116 4.320 0.001 0.000 0.218 117 A C 2.471 179.862 177.584 -0.322 0.000 1.193 117 A CA 2.800 54.281 52.037 -0.926 0.000 0.629 117 A CB -0.899 17.508 19.000 -0.988 0.000 0.826 117 A HN 0.301 nan 8.150 nan 0.000 0.447 118 A N -0.411 122.268 122.820 -0.235 0.000 1.908 118 A HA -0.115 4.205 4.320 0.001 0.000 0.218 118 A C 2.168 179.688 177.584 -0.106 0.000 1.181 118 A CA 1.649 53.590 52.037 -0.160 0.000 0.627 118 A CB -0.640 18.277 19.000 -0.138 0.000 0.818 118 A HN 0.527 nan 8.150 nan 0.000 0.445 119 I N -1.148 119.366 120.570 -0.092 0.000 2.226 119 I HA -0.240 3.930 4.170 0.001 0.000 0.245 119 I C 2.743 178.862 176.117 0.003 0.000 1.100 119 I CA 1.619 62.887 61.300 -0.053 0.000 1.374 119 I CB -0.299 37.665 38.000 -0.059 0.000 1.057 119 I HN 0.378 nan 8.210 nan 0.000 0.413 120 R N 0.930 121.455 120.500 0.041 0.000 2.096 120 R HA -0.199 4.142 4.340 0.001 0.000 0.235 120 R C 2.344 178.763 176.300 0.199 0.000 1.127 120 R CA 1.496 57.672 56.100 0.127 0.000 0.968 120 R CB -0.181 30.226 30.300 0.177 0.000 0.861 120 R HN 0.324 nan 8.270 nan 0.000 0.440 121 M N -0.143 119.564 119.600 0.178 0.000 2.200 121 M HA -0.058 4.422 4.480 0.001 0.000 0.265 121 M C 2.058 178.334 176.300 -0.041 0.000 1.066 121 M CA 1.777 57.076 55.300 -0.001 0.000 1.127 121 M CB -0.020 32.342 32.600 -0.397 0.000 1.379 121 M HN 0.244 nan 8.290 nan 0.000 0.420 122 A N 0.739 123.537 122.820 -0.037 0.000 1.898 122 A HA -0.167 4.154 4.320 0.001 0.000 0.216 122 A C 2.037 179.624 177.584 0.004 0.000 1.181 122 A CA 1.805 53.823 52.037 -0.031 0.000 0.620 122 A CB -0.509 18.471 19.000 -0.033 0.000 0.819 122 A HN 0.560 nan 8.150 nan 0.000 0.442 123 K N -0.868 119.551 120.400 0.032 0.000 2.026 123 K HA -0.103 4.218 4.320 0.001 0.000 0.208 123 K C 1.920 178.558 176.600 0.063 0.000 1.048 123 K CA 1.378 57.699 56.287 0.057 0.000 0.929 123 K CB -0.385 32.166 32.500 0.085 0.000 0.713 123 K HN 0.363 nan 8.250 nan 0.000 0.439 124 L N 1.145 122.415 121.223 0.079 0.000 2.042 124 L HA -0.143 4.197 4.340 0.001 0.000 0.210 124 L C 2.013 178.912 176.870 0.048 0.000 1.076 124 L CA 1.527 56.417 54.840 0.084 0.000 0.749 124 L CB -0.343 41.811 42.059 0.157 0.000 0.893 124 L HN 0.120 nan 8.230 nan 0.000 0.432 125 V N -3.866 116.060 119.914 0.020 0.000 3.573 125 V HA 0.035 4.156 4.120 0.001 0.000 0.270 125 V C 1.701 177.795 176.094 0.000 0.000 1.221 125 V CA 1.301 63.600 62.300 -0.002 0.000 1.163 125 V CB -1.311 30.492 31.823 -0.033 0.000 0.847 125 V HN 0.658 nan 8.190 nan 0.000 0.468 126 T N -4.575 109.985 114.554 0.010 0.000 2.969 126 T HA 0.451 4.802 4.350 0.001 0.000 0.250 126 T C 1.813 176.524 174.700 0.019 0.000 1.021 126 T CA 0.939 63.043 62.100 0.007 0.000 1.003 126 T CB 0.563 69.432 68.868 0.002 0.000 1.040 126 T HN 1.389 nan 8.240 nan 0.000 0.492 127 G N 1.919 110.740 108.800 0.036 0.000 2.205 127 G HA2 -0.265 3.696 3.960 0.001 0.000 0.261 127 G HA3 -0.265 3.696 3.960 0.001 0.000 0.261 127 G C 0.050 174.996 174.900 0.076 0.000 0.980 127 G CA 0.474 45.606 45.100 0.052 0.000 0.632 127 G HN 0.699 nan 8.290 nan 0.000 0.533 128 K N -0.785 119.643 120.400 0.047 0.000 2.106 128 K HA 0.638 4.958 4.320 0.001 0.000 0.246 128 K C 0.525 177.156 176.600 0.051 0.000 0.987 128 K CA -0.300 55.990 56.287 0.005 0.000 0.904 128 K CB 0.760 33.223 32.500 -0.063 0.000 1.071 128 K HN 0.496 nan 8.250 nan 0.000 0.453 129 Y N -1.909 118.405 120.300 0.024 0.000 2.610 129 Y HA 0.359 4.910 4.550 0.001 0.000 0.254 129 Y C -0.542 175.362 175.900 0.006 0.000 1.110 129 Y CA -0.732 57.374 58.100 0.010 0.000 1.238 129 Y CB 0.213 38.673 38.460 0.001 0.000 1.322 129 Y HN 0.396 nan 8.280 nan 0.000 0.547 130 E N 2.526 122.488 120.200 -0.398 0.000 2.259 130 E HA 0.374 4.724 4.350 0.001 0.000 0.281 130 E C -0.711 175.868 176.600 -0.035 0.000 1.027 130 E CA -0.517 55.773 56.400 -0.183 0.000 0.838 130 E CB 1.596 31.233 29.700 -0.105 0.000 1.066 130 E HN 0.143 nan 8.360 nan 0.000 0.401 131 I N 3.256 123.810 120.570 -0.027 0.000 2.433 131 I HA 0.302 4.473 4.170 0.001 0.000 0.292 131 I C -0.250 175.830 176.117 -0.062 0.000 1.001 131 I CA -0.868 60.401 61.300 -0.051 0.000 1.119 131 I CB 1.463 39.416 38.000 -0.078 0.000 1.289 131 I HN 0.242 nan 8.210 nan 0.000 0.438 132 V N 4.739 124.543 119.914 -0.183 0.000 2.628 132 V HA 0.961 5.082 4.120 0.001 0.000 0.306 132 V C 0.432 175.941 176.094 -0.974 0.000 1.045 132 V CA -0.380 61.688 62.300 -0.385 0.000 0.905 132 V CB 1.739 33.362 31.823 -0.334 0.000 0.997 132 V HN 0.983 nan 8.190 nan 0.000 0.436 133 G N 1.599 109.912 108.800 -0.812 0.000 2.870 133 G HA2 0.712 4.672 3.960 0.001 0.000 0.299 133 G HA3 0.712 4.672 3.960 0.001 0.000 0.299 133 G C -1.696 172.909 174.900 -0.492 0.000 1.324 133 G CA -0.630 43.979 45.100 -0.819 0.000 0.808 133 G HN 0.276 nan 8.290 nan 0.000 0.535 134 F N 0.364 120.341 119.950 0.045 0.000 2.371 134 F HA 0.558 5.085 4.527 0.001 0.000 0.329 134 F C 1.650 177.457 175.800 0.013 0.000 1.107 134 F CA -0.174 57.881 58.000 0.091 0.000 1.137 134 F CB 1.795 40.900 39.000 0.176 0.000 1.214 134 F HN 0.524 nan 8.300 nan 0.000 0.536 135 A N 1.246 124.187 122.820 0.203 0.000 2.015 135 A HA -0.107 4.214 4.320 0.001 0.000 0.219 135 A C 1.516 179.217 177.584 0.195 0.000 1.163 135 A CA 1.180 53.269 52.037 0.087 0.000 0.646 135 A CB -0.453 18.586 19.000 0.064 0.000 0.806 135 A HN 0.691 nan 8.150 nan 0.000 0.448 136 Q N 0.442 120.349 119.800 0.178 0.000 2.179 136 Q HA 0.148 4.489 4.340 0.001 0.000 0.213 136 Q C 0.352 176.437 176.000 0.143 0.000 0.833 136 Q CA 0.442 56.319 55.803 0.122 0.000 0.990 136 Q CB -0.755 27.980 28.738 -0.005 0.000 1.132 136 Q HN 0.588 nan 8.270 nan 0.000 0.493 137 S N 0.489 116.319 115.700 0.217 0.000 2.584 137 S HA 0.280 4.751 4.470 0.001 0.000 0.270 137 S C -0.453 174.131 174.600 -0.026 0.000 1.346 137 S CA -0.561 57.684 58.200 0.075 0.000 1.018 137 S CB 0.959 64.227 63.200 0.114 0.000 0.899 137 S HN 0.503 nan 8.310 nan 0.000 0.542 138 W N 3.128 124.179 121.300 -0.415 0.000 2.591 138 W HA 0.314 4.974 4.660 0.001 0.000 0.311 138 W C -1.226 175.069 176.519 -0.373 0.000 1.003 138 W CA -0.481 56.686 57.345 -0.297 0.000 1.332 138 W CB 0.784 30.159 29.460 -0.142 0.000 1.272 138 W HN 0.914 nan 8.180 nan 0.000 0.412 139 H N 3.864 122.715 119.070 -0.365 0.000 2.469 139 H HA 0.366 4.923 4.556 0.001 0.000 0.286 139 H C 1.090 176.182 175.328 -0.394 0.000 1.106 139 H CA 0.675 56.568 56.048 -0.260 0.000 1.055 139 H CB 0.638 30.306 29.762 -0.158 0.000 1.618 139 H HN 0.601 nan 8.280 nan 0.000 0.559 140 G N 0.591 108.968 108.800 -0.704 0.000 2.434 140 G HA2 -0.167 3.793 3.960 0.001 0.000 0.671 140 G HA3 -0.167 3.793 3.960 0.001 0.000 0.671 140 G C 0.144 174.650 174.900 -0.656 0.000 1.280 140 G CA -0.498 44.320 45.100 -0.470 0.000 0.975 140 G HN 0.110 nan 8.290 nan 0.000 0.510 141 M N 0.388 119.808 119.600 -0.299 0.000 2.347 141 M HA 0.253 4.733 4.480 0.001 0.000 0.302 141 M C 0.782 176.997 176.300 -0.141 0.000 1.051 141 M CA 0.369 55.535 55.300 -0.222 0.000 0.988 141 M CB 0.545 33.122 32.600 -0.039 0.000 1.475 141 M HN 0.452 nan 8.290 nan 0.000 0.530 142 T N 0.430 114.904 114.554 -0.132 0.000 2.767 142 T HA 0.508 4.859 4.350 0.001 0.000 0.284 142 T C 1.241 175.889 174.700 -0.086 0.000 0.973 142 T CA 0.286 62.339 62.100 -0.078 0.000 0.996 142 T CB 1.841 70.690 68.868 -0.031 0.000 0.927 142 T HN 0.589 nan 8.240 nan 0.000 0.456 143 G N 3.646 112.404 108.800 -0.071 0.000 3.809 143 G HA2 -0.386 3.574 3.960 0.001 0.000 0.276 143 G HA3 -0.386 3.574 3.960 0.001 0.000 0.276 143 G C 1.728 176.578 174.900 -0.083 0.000 0.867 143 G CA 1.341 46.399 45.100 -0.070 0.000 0.724 143 G HN 1.033 nan 8.290 nan 0.000 1.380 144 A N -0.272 122.516 122.820 -0.053 0.000 2.042 144 A HA 0.161 4.482 4.320 0.001 0.000 0.222 144 A C 2.764 180.293 177.584 -0.091 0.000 1.167 144 A CA 2.941 54.943 52.037 -0.058 0.000 0.649 144 A CB -0.679 18.311 19.000 -0.017 0.000 0.809 144 A HN 1.743 nan 8.150 nan 0.000 0.457 145 A N -1.355 121.410 122.820 -0.092 0.000 2.095 145 A HA 0.519 4.840 4.320 0.001 0.000 0.212 145 A C 2.140 179.627 177.584 -0.162 0.000 1.162 145 A CA 1.184 53.155 52.037 -0.110 0.000 0.753 145 A CB -0.379 18.574 19.000 -0.077 0.000 0.840 145 A HN 0.956 nan 8.150 nan 0.000 0.468 146 A N -0.810 121.891 122.820 -0.197 0.000 2.195 146 A HA 0.226 4.547 4.320 0.001 0.000 0.210 146 A C 2.050 179.455 177.584 -0.298 0.000 1.165 146 A CA 1.195 53.065 52.037 -0.279 0.000 0.806 146 A CB -0.257 18.599 19.000 -0.240 0.000 0.847 146 A HN 0.339 nan 8.150 nan 0.000 0.482 147 S N -0.063 115.484 115.700 -0.255 0.000 2.446 147 S HA 0.143 4.613 4.470 0.001 0.000 0.225 147 S C 1.783 176.092 174.600 -0.485 0.000 1.016 147 S CA 0.769 58.789 58.200 -0.300 0.000 0.943 147 S CB -0.001 63.089 63.200 -0.182 0.000 0.786 147 S HN 0.703 nan 8.310 nan 0.000 0.508 148 A N 1.063 123.679 122.820 -0.339 0.000 2.337 148 A HA 0.285 4.606 4.320 0.001 0.000 0.227 148 A C 0.573 178.077 177.584 -0.133 0.000 1.259 148 A CA 0.017 51.936 52.037 -0.197 0.000 0.870 148 A CB -0.053 18.903 19.000 -0.072 0.000 0.927 148 A HN 0.240 nan 8.150 nan 0.000 0.497 149 T N 0.613 114.896 114.554 -0.452 0.000 2.929 149 T HA 0.359 4.710 4.350 0.001 0.000 0.331 149 T C -0.405 174.057 174.700 -0.397 0.000 1.120 149 T CA -0.031 61.876 62.100 -0.322 0.000 0.973 149 T CB -0.262 68.334 68.868 -0.453 0.000 1.036 149 T HN 0.372 nan 8.240 nan 0.000 0.502 150 Y N 0.632 120.951 120.300 0.032 0.000 2.571 150 Y HA 0.264 4.815 4.550 0.001 0.000 0.275 150 Y C 2.214 178.163 175.900 0.082 0.000 1.179 150 Y CA -0.542 57.588 58.100 0.050 0.000 1.242 150 Y CB 0.108 38.600 38.460 0.055 0.000 1.126 150 Y HN 0.539 nan 8.280 nan 0.000 0.524 151 S N 0.290 116.120 115.700 0.217 0.000 2.377 151 S HA 0.469 4.940 4.470 0.001 0.000 0.223 151 S C 0.771 175.512 174.600 0.234 0.000 1.030 151 S CA 0.720 59.061 58.200 0.235 0.000 0.970 151 S CB -0.038 63.369 63.200 0.345 0.000 0.830 151 S HN 0.368 nan 8.310 nan 0.000 0.473 152 A N -1.894 121.098 122.820 0.288 0.000 2.567 152 A HA 0.551 4.872 4.320 0.001 0.000 0.291 152 A C 0.471 178.170 177.584 0.192 0.000 1.048 152 A CA -0.015 52.176 52.037 0.258 0.000 0.661 152 A CB -0.210 18.980 19.000 0.317 0.000 1.288 152 A HN 1.424 nan 8.150 nan 0.000 0.424 153 G N 0.165 109.042 108.800 0.129 0.000 2.291 153 G HA2 -0.101 3.859 3.960 0.001 0.000 0.271 153 G HA3 -0.101 3.859 3.960 0.001 0.000 0.271 153 G C 0.296 175.179 174.900 -0.029 0.000 1.099 153 G CA 1.087 46.219 45.100 0.052 0.000 0.919 153 G HN 1.927 nan 8.290 nan 0.000 0.496 154 R N -1.755 118.736 120.500 -0.016 0.000 2.582 154 R HA 0.250 4.591 4.340 0.001 0.000 0.285 154 R C 0.408 176.702 176.300 -0.010 0.000 0.940 154 R CA -0.282 55.792 56.100 -0.043 0.000 1.072 154 R CB 0.494 30.751 30.300 -0.073 0.000 1.527 154 R HN 0.293 nan 8.270 nan 0.000 0.538 155 K N 1.232 121.640 120.400 0.012 0.000 2.156 155 K HA 0.417 4.738 4.320 0.001 0.000 0.271 155 K C 0.235 176.845 176.600 0.016 0.000 0.995 155 K CA 0.010 56.308 56.287 0.019 0.000 0.890 155 K CB 1.635 34.153 32.500 0.030 0.000 1.073 155 K HN 0.281 nan 8.250 nan 0.000 0.454 156 G N 0.831 109.639 108.800 0.013 0.000 2.155 156 G HA2 -0.265 3.696 3.960 0.001 0.000 0.257 156 G HA3 -0.265 3.696 3.960 0.001 0.000 0.257 156 G C 0.311 175.216 174.900 0.007 0.000 0.983 156 G CA 0.494 45.601 45.100 0.011 0.000 0.676 156 G HN 0.618 nan 8.290 nan 0.000 0.528 157 V N -3.371 116.544 119.914 0.001 0.000 2.925 157 V HA 0.732 4.853 4.120 0.001 0.000 0.361 157 V C 1.051 177.138 176.094 -0.012 0.000 1.361 157 V CA 0.382 62.679 62.300 -0.004 0.000 1.184 157 V CB -0.022 31.797 31.823 -0.007 0.000 1.245 157 V HN 2.250 nan 8.190 nan 0.000 0.575 158 G N 1.232 110.026 108.800 -0.009 0.000 2.796 158 G HA2 -0.088 3.872 3.960 0.001 0.000 0.571 158 G HA3 -0.088 3.872 3.960 0.001 0.000 0.571 158 G C -2.072 172.817 174.900 -0.018 0.000 1.370 158 G CA -0.368 44.724 45.100 -0.012 0.000 0.856 158 G HN 0.609 nan 8.290 nan 0.000 0.538 159 P HA 0.445 nan 4.420 nan 0.000 0.270 159 P C 0.695 177.972 177.300 -0.037 0.000 1.216 159 P CA 0.687 63.773 63.100 -0.023 0.000 0.788 159 P CB 0.220 31.905 31.700 -0.024 0.000 0.883 160 A N 1.175 123.970 122.820 -0.042 0.000 2.388 160 A HA 0.661 4.982 4.320 0.001 0.000 0.280 160 A C -0.046 177.495 177.584 -0.071 0.000 1.377 160 A CA 0.029 52.027 52.037 -0.066 0.000 0.863 160 A CB -0.355 18.608 19.000 -0.061 0.000 1.416 160 A HN 0.565 nan 8.150 nan 0.000 0.517 161 A N -0.586 122.181 122.820 -0.088 0.000 2.309 161 A HA 0.530 4.850 4.320 0.001 0.000 0.298 161 A C 0.032 177.569 177.584 -0.078 0.000 1.165 161 A CA -0.452 51.538 52.037 -0.079 0.000 0.821 161 A CB -0.127 18.825 19.000 -0.080 0.000 1.102 161 A HN 1.113 nan 8.150 nan 0.000 0.500 162 V N 2.170 122.046 119.914 -0.063 0.000 2.625 162 V HA 0.311 4.431 4.120 0.001 0.000 0.305 162 V C 1.558 177.667 176.094 0.026 0.000 1.055 162 V CA 1.706 63.982 62.300 -0.040 0.000 1.209 162 V CB -0.369 31.407 31.823 -0.078 0.000 0.877 162 V HN 2.005 nan 8.190 nan 0.000 0.489 163 G N 3.592 112.349 108.800 -0.072 0.000 2.132 163 G HA2 -0.217 3.743 3.960 0.001 0.000 0.228 163 G HA3 -0.217 3.743 3.960 0.001 0.000 0.228 163 G C 0.150 174.705 174.900 -0.575 0.000 1.000 163 G CA 0.051 45.015 45.100 -0.226 0.000 0.693 163 G HN 0.789 nan 8.290 nan 0.000 0.515 164 S N 0.107 115.472 115.700 -0.557 0.000 2.422 164 S HA 0.764 5.235 4.470 0.001 0.000 0.298 164 S C -0.429 173.844 174.600 -0.546 0.000 1.118 164 S CA -0.270 57.701 58.200 -0.381 0.000 1.083 164 S CB 0.522 63.667 63.200 -0.092 0.000 0.971 164 S HN 0.330 nan 8.310 nan 0.000 0.478 165 F N 1.432 121.368 119.950 -0.023 0.000 2.532 165 F HA 0.746 5.273 4.527 0.001 0.000 0.321 165 F C 0.271 175.860 175.800 -0.351 0.000 1.089 165 F CA -1.034 56.874 58.000 -0.154 0.000 0.926 165 F CB 1.582 40.473 39.000 -0.182 0.000 1.168 165 F HN 0.544 nan 8.300 nan 0.000 0.459 166 A N 3.539 126.180 122.820 -0.298 0.000 2.371 166 A HA 0.876 5.196 4.320 0.001 0.000 0.311 166 A C -0.742 176.714 177.584 -0.213 0.000 1.068 166 A CA -0.659 51.053 52.037 -0.542 0.000 0.744 166 A CB 0.952 19.249 19.000 -1.173 0.000 1.239 166 A HN 0.801 nan 8.150 nan 0.000 0.435 167 I N -0.516 120.005 120.570 -0.081 0.000 2.982 167 I HA 0.776 4.946 4.170 0.001 0.000 0.312 167 I C -2.796 173.447 176.117 0.210 0.000 1.041 167 I CA -3.062 58.279 61.300 0.068 0.000 1.053 167 I CB 1.830 39.906 38.000 0.126 0.000 1.248 167 I HN 0.254 nan 8.210 nan 0.000 0.471 168 P HA 0.267 nan 4.420 nan 0.000 0.274 168 P C -1.097 176.373 177.300 0.283 0.000 1.237 168 P CA -0.293 62.937 63.100 0.216 0.000 0.793 168 P CB 0.788 32.601 31.700 0.188 0.000 0.977 169 A N 2.683 125.551 122.820 0.080 0.000 2.312 169 A HA 0.581 4.902 4.320 0.001 0.000 0.326 169 A C -2.291 175.193 177.584 -0.167 0.000 1.172 169 A CA -1.801 50.058 52.037 -0.296 0.000 0.821 169 A CB -0.049 18.561 19.000 -0.649 0.000 1.166 169 A HN 0.414 nan 8.150 nan 0.000 0.493 170 P HA 0.091 nan 4.420 nan 0.000 0.269 170 P C -1.235 176.086 177.300 0.036 0.000 1.263 170 P CA 0.346 63.363 63.100 -0.138 0.000 0.813 170 P CB 0.030 31.349 31.700 -0.635 0.000 0.868 171 F N 4.911 124.891 119.950 0.050 0.000 2.363 171 F HA 0.169 4.696 4.527 0.001 0.000 0.366 171 F C 1.565 177.383 175.800 0.031 0.000 1.083 171 F CA -1.139 56.860 58.000 -0.001 0.000 1.176 171 F CB 0.350 39.331 39.000 -0.033 0.000 1.432 171 F HN 0.215 nan 8.300 nan 0.000 0.482 172 T N 1.487 116.185 114.554 0.241 0.000 2.778 172 T HA -0.293 4.058 4.350 0.001 0.000 0.269 172 T C 1.773 176.403 174.700 -0.117 0.000 1.050 172 T CA 1.652 63.839 62.100 0.145 0.000 1.137 172 T CB -0.843 68.151 68.868 0.210 0.000 0.860 172 T HN 0.546 nan 8.240 nan 0.000 0.468 173 Y N 2.698 122.730 120.300 -0.448 0.000 2.293 173 Y HA 0.203 4.753 4.550 0.001 0.000 0.291 173 Y C 1.366 176.875 175.900 -0.652 0.000 1.137 173 Y CA 0.424 58.210 58.100 -0.522 0.000 1.202 173 Y CB 0.038 38.195 38.460 -0.504 0.000 0.990 173 Y HN 0.161 nan 8.280 nan 0.000 0.537 174 R N 1.336 121.200 120.500 -1.060 0.000 2.748 174 R HA 0.243 4.584 4.340 0.001 0.000 0.283 174 R C -2.711 173.238 176.300 -0.586 0.000 1.507 174 R CA -1.858 53.764 56.100 -0.796 0.000 1.666 174 R CB 0.467 30.343 30.300 -0.708 0.000 1.237 174 R HN 0.087 nan 8.270 nan 0.000 0.633 175 P HA 0.017 nan 4.420 nan 0.000 0.266 175 P C -0.142 176.878 177.300 -0.468 0.000 1.215 175 P CA -0.040 62.478 63.100 -0.970 0.000 0.763 175 P CB 1.013 32.068 31.700 -1.074 0.000 0.806 176 R N 2.182 122.531 120.500 -0.252 0.000 2.508 176 R HA 0.257 4.598 4.340 0.001 0.000 0.300 176 R C -0.364 176.012 176.300 0.127 0.000 0.970 176 R CA -0.224 55.855 56.100 -0.035 0.000 1.102 176 R CB -0.062 30.249 30.300 0.019 0.000 1.246 176 R HN 0.434 nan 8.270 nan 0.000 0.539 177 F N 1.499 121.507 119.950 0.096 0.000 2.434 177 F HA 0.345 4.873 4.527 0.001 0.000 0.355 177 F C -0.366 175.548 175.800 0.191 0.000 1.115 177 F CA -0.851 57.233 58.000 0.140 0.000 1.010 177 F CB 1.162 40.292 39.000 0.217 0.000 1.234 177 F HN -0.178 nan 8.300 nan 0.000 0.439 178 E N 5.533 125.593 120.200 -0.233 0.000 2.195 178 E HA 0.516 4.867 4.350 0.001 0.000 0.271 178 E C -1.029 175.423 176.600 -0.246 0.000 0.923 178 E CA -0.888 55.439 56.400 -0.122 0.000 0.790 178 E CB 1.073 30.722 29.700 -0.086 0.000 1.155 178 E HN 0.501 nan 8.360 nan 0.000 0.402 179 R N 3.025 123.469 120.500 -0.093 0.000 2.539 179 R HA 0.261 4.602 4.340 0.001 0.000 0.295 179 R C -0.894 175.383 176.300 -0.039 0.000 1.138 179 R CA -0.473 55.577 56.100 -0.083 0.000 0.936 179 R CB 0.378 30.663 30.300 -0.026 0.000 1.182 179 R HN 0.868 nan 8.270 nan 0.000 0.459 180 N N 1.103 119.776 118.700 -0.046 0.000 2.780 180 N HA -0.214 4.526 4.740 0.001 0.000 0.247 180 N C 0.451 175.949 175.510 -0.020 0.000 1.076 180 N CA 0.464 53.496 53.050 -0.029 0.000 0.688 180 N CB -0.525 37.949 38.487 -0.021 0.000 0.957 180 N HN 1.020 nan 8.380 nan 0.000 0.551 181 G N -1.338 107.447 108.800 -0.025 0.000 2.225 181 G HA2 -0.084 3.877 3.960 0.001 0.000 0.267 181 G HA3 -0.084 3.877 3.960 0.001 0.000 0.267 181 G C 0.090 174.994 174.900 0.006 0.000 1.024 181 G CA 0.782 45.873 45.100 -0.015 0.000 0.784 181 G HN 1.080 nan 8.290 nan 0.000 0.507 182 A N -1.301 121.532 122.820 0.022 0.000 2.556 182 A HA 0.658 4.978 4.320 0.001 0.000 0.294 182 A C -0.772 176.893 177.584 0.136 0.000 1.091 182 A CA -0.707 51.367 52.037 0.061 0.000 0.704 182 A CB 1.139 20.157 19.000 0.031 0.000 1.300 182 A HN 1.279 nan 8.150 nan 0.000 0.406 183 Y N 1.940 122.256 120.300 0.026 0.000 2.613 183 Y HA 0.334 4.885 4.550 0.001 0.000 0.354 183 Y C -0.127 175.806 175.900 0.055 0.000 1.063 183 Y CA -0.901 57.248 58.100 0.082 0.000 1.384 183 Y CB 0.389 38.925 38.460 0.127 0.000 1.199 183 Y HN 0.596 nan 8.280 nan 0.000 0.517 184 D N 5.834 126.220 120.400 -0.022 0.000 2.563 184 D HA -0.029 4.612 4.640 0.001 0.000 0.222 184 D C 0.611 176.741 176.300 -0.283 0.000 1.145 184 D CA -0.288 53.593 54.000 -0.199 0.000 1.001 184 D CB -0.253 40.557 40.800 0.017 0.000 1.049 184 D HN 0.662 nan 8.370 nan 0.000 0.515 185 Y N 0.991 120.952 120.300 -0.565 0.000 2.574 185 Y HA -0.022 4.528 4.550 0.001 0.000 0.294 185 Y C 1.306 177.146 175.900 -0.099 0.000 1.142 185 Y CA 0.066 57.848 58.100 -0.529 0.000 1.314 185 Y CB -0.389 37.668 38.460 -0.671 0.000 0.991 185 Y HN 0.175 nan 8.280 nan 0.000 0.555 186 L N 0.993 122.174 121.223 -0.070 0.000 2.102 186 L HA 0.138 4.479 4.340 0.001 0.000 0.202 186 L C 2.649 179.508 176.870 -0.018 0.000 1.076 186 L CA 1.422 56.276 54.840 0.024 0.000 0.761 186 L CB -1.474 40.533 42.059 -0.086 0.000 0.921 186 L HN 0.345 nan 8.230 nan 0.000 0.444 187 A N -0.968 121.838 122.820 -0.025 0.000 1.972 187 A HA -0.241 4.080 4.320 0.001 0.000 0.219 187 A C 2.277 179.755 177.584 -0.176 0.000 1.169 187 A CA 1.622 53.690 52.037 0.051 0.000 0.635 187 A CB -0.566 18.589 19.000 0.259 0.000 0.810 187 A HN 0.511 nan 8.150 nan 0.000 0.446 188 E N -0.642 119.242 120.200 -0.526 0.000 2.265 188 E HA -0.181 4.170 4.350 0.001 0.000 0.196 188 E C 1.755 178.182 176.600 -0.288 0.000 0.996 188 E CA 1.125 56.857 56.400 -1.114 0.000 0.832 188 E CB -0.126 29.164 29.700 -0.684 0.000 0.756 188 E HN 0.483 nan 8.360 nan 0.000 0.491 189 L N 1.220 122.431 121.223 -0.019 0.000 2.095 189 L HA -0.092 4.248 4.340 0.001 0.000 0.204 189 L C 1.503 178.477 176.870 0.174 0.000 1.080 189 L CA 1.762 56.694 54.840 0.154 0.000 0.759 189 L CB -0.251 41.872 42.059 0.107 0.000 0.914 189 L HN 0.039 nan 8.230 nan 0.000 0.439 190 D N -1.268 119.184 120.400 0.086 0.000 2.097 190 D HA -0.268 4.372 4.640 0.001 0.000 0.195 190 D C 2.013 178.406 176.300 0.155 0.000 0.989 190 D CA 1.703 55.766 54.000 0.104 0.000 0.827 190 D CB -0.483 40.357 40.800 0.066 0.000 0.966 190 D HN 0.420 nan 8.370 nan 0.000 0.456 191 Y N 2.003 122.302 120.300 -0.001 0.000 2.081 191 Y HA -0.266 4.285 4.550 0.001 0.000 0.280 191 Y C 2.459 178.376 175.900 0.028 0.000 1.163 191 Y CA 2.113 60.228 58.100 0.024 0.000 1.135 191 Y CB -0.490 37.950 38.460 -0.033 0.000 0.970 191 Y HN -0.034 nan 8.280 nan 0.000 0.498 192 A N -0.388 122.524 122.820 0.153 0.000 1.917 192 A HA -0.235 4.086 4.320 0.001 0.000 0.219 192 A C 2.161 179.710 177.584 -0.059 0.000 1.182 192 A CA 1.928 53.999 52.037 0.057 0.000 0.633 192 A CB -1.497 17.573 19.000 0.117 0.000 0.819 192 A HN 0.564 nan 8.150 nan 0.000 0.448 193 F N 0.468 120.397 119.950 -0.035 0.000 2.146 193 F HA -0.128 4.400 4.527 0.001 0.000 0.298 193 F C 2.131 177.863 175.800 -0.113 0.000 1.096 193 F CA 1.769 59.731 58.000 -0.064 0.000 1.275 193 F CB -0.139 38.829 39.000 -0.054 0.000 1.008 193 F HN 0.223 nan 8.300 nan 0.000 0.480 194 D N 0.038 120.474 120.400 0.061 0.000 2.123 194 D HA -0.191 4.450 4.640 0.001 0.000 0.196 194 D C 2.268 178.493 176.300 -0.124 0.000 0.992 194 D CA 1.116 55.095 54.000 -0.035 0.000 0.833 194 D CB -0.646 40.114 40.800 -0.067 0.000 0.954 194 D HN 0.184 nan 8.370 nan 0.000 0.455 195 L N 1.019 122.121 121.223 -0.201 0.000 2.012 195 L HA -0.157 4.184 4.340 0.001 0.000 0.210 195 L C 2.068 178.798 176.870 -0.234 0.000 1.073 195 L CA 1.403 56.110 54.840 -0.221 0.000 0.748 195 L CB -0.653 41.264 42.059 -0.237 0.000 0.891 195 L HN -0.032 nan 8.230 nan 0.000 0.431 196 I N 0.087 120.481 120.570 -0.294 0.000 2.208 196 I HA -0.287 3.884 4.170 0.001 0.000 0.245 196 I C 2.155 178.028 176.117 -0.406 0.000 1.097 196 I CA 1.399 62.414 61.300 -0.474 0.000 1.363 196 I CB -1.375 36.277 38.000 -0.579 0.000 1.051 196 I HN 0.361 nan 8.210 nan 0.000 0.413 197 D N 0.528 120.804 120.400 -0.207 0.000 2.178 197 D HA -0.154 4.487 4.640 0.001 0.000 0.201 197 D C 2.207 178.423 176.300 -0.139 0.000 0.980 197 D CA 0.831 54.751 54.000 -0.133 0.000 0.842 197 D CB -0.116 40.658 40.800 -0.043 0.000 0.948 197 D HN 0.273 nan 8.370 nan 0.000 0.472 198 R N 0.670 121.087 120.500 -0.139 0.000 2.115 198 R HA 0.009 4.349 4.340 0.001 0.000 0.226 198 R C 2.133 178.368 176.300 -0.107 0.000 1.100 198 R CA 0.622 56.660 56.100 -0.102 0.000 0.980 198 R CB -0.634 29.614 30.300 -0.087 0.000 0.875 198 R HN 0.458 nan 8.270 nan 0.000 0.445 199 Q N 0.380 120.071 119.800 -0.182 0.000 2.269 199 Q HA 0.075 4.415 4.340 0.001 0.000 0.201 199 Q C 0.687 176.602 176.000 -0.141 0.000 0.946 199 Q CA 0.160 55.875 55.803 -0.147 0.000 0.877 199 Q CB 0.139 28.757 28.738 -0.200 0.000 0.963 199 Q HN 0.061 nan 8.270 nan 0.000 0.472 200 S N 1.077 116.604 115.700 -0.289 0.000 2.560 200 S HA 0.027 4.498 4.470 0.001 0.000 0.284 200 S C 0.856 175.437 174.600 -0.031 0.000 1.327 200 S CA -0.197 57.900 58.200 -0.172 0.000 1.055 200 S CB 0.737 63.803 63.200 -0.224 0.000 0.868 200 S HN 0.344 nan 8.310 nan 0.000 0.506 201 S N 3.093 118.811 115.700 0.030 0.000 2.622 201 S HA 0.371 4.841 4.470 0.001 0.000 0.236 201 S C 1.161 175.761 174.600 0.001 0.000 0.956 201 S CA 0.112 58.334 58.200 0.037 0.000 0.971 201 S CB -0.504 62.754 63.200 0.096 0.000 0.782 201 S HN 1.917 nan 8.310 nan 0.000 0.468 202 G N 1.930 110.712 108.800 -0.030 0.000 2.198 202 G HA2 -0.231 3.730 3.960 0.001 0.000 0.257 202 G HA3 -0.231 3.730 3.960 0.001 0.000 0.257 202 G C 0.099 174.963 174.900 -0.060 0.000 1.042 202 G CA 0.112 45.190 45.100 -0.036 0.000 0.791 202 G HN 0.588 nan 8.290 nan 0.000 0.502 203 N N -0.134 118.492 118.700 -0.125 0.000 2.497 203 N HA 0.176 4.916 4.740 0.001 0.000 0.284 203 N C 0.476 175.843 175.510 -0.239 0.000 1.459 203 N CA -0.231 52.679 53.050 -0.233 0.000 0.899 203 N CB 0.482 38.664 38.487 -0.507 0.000 1.316 203 N HN 0.394 nan 8.380 nan 0.000 0.500 204 L N 1.121 122.282 121.223 -0.103 0.000 2.433 204 L HA 0.180 4.521 4.340 0.001 0.000 0.275 204 L C 1.481 178.333 176.870 -0.030 0.000 1.128 204 L CA -0.140 54.677 54.840 -0.038 0.000 0.875 204 L CB 0.809 42.881 42.059 0.020 0.000 1.171 204 L HN 0.124 nan 8.230 nan 0.000 0.463 205 A N 3.439 126.239 122.820 -0.032 0.000 2.014 205 A HA 0.663 4.984 4.320 0.001 0.000 0.210 205 A C 0.815 178.404 177.584 0.009 0.000 1.188 205 A CA 0.862 52.891 52.037 -0.013 0.000 0.731 205 A CB 0.248 19.242 19.000 -0.011 0.000 0.858 205 A HN 0.776 nan 8.150 nan 0.000 0.464 206 A N -2.038 120.796 122.820 0.023 0.000 2.544 206 A HA 0.532 4.853 4.320 0.001 0.000 0.291 206 A C -1.866 175.765 177.584 0.078 0.000 1.055 206 A CA -0.443 51.624 52.037 0.051 0.000 0.651 206 A CB 0.066 19.072 19.000 0.009 0.000 1.296 206 A HN 0.810 nan 8.150 nan 0.000 0.431 207 F N 0.819 120.756 119.950 -0.021 0.000 2.493 207 F HA 0.758 5.286 4.527 0.001 0.000 0.329 207 F C -0.595 175.153 175.800 -0.087 0.000 1.126 207 F CA -1.022 56.951 58.000 -0.044 0.000 0.937 207 F CB 1.337 40.342 39.000 0.007 0.000 1.146 207 F HN 0.614 nan 8.300 nan 0.000 0.442 208 I N 5.578 126.030 120.570 -0.196 0.000 2.404 208 I HA 0.819 4.989 4.170 0.001 0.000 0.293 208 I C -1.268 174.861 176.117 0.020 0.000 0.992 208 I CA -0.254 60.987 61.300 -0.098 0.000 1.149 208 I CB 1.093 38.886 38.000 -0.345 0.000 1.315 208 I HN 0.770 nan 8.210 nan 0.000 0.446 209 A N 6.067 129.023 122.820 0.227 0.000 2.572 209 A HA 0.601 4.921 4.320 0.001 0.000 0.295 209 A C -1.356 176.480 177.584 0.420 0.000 1.072 209 A CA -0.705 51.578 52.037 0.410 0.000 0.691 209 A CB 1.339 20.632 19.000 0.488 0.000 1.291 209 A HN 0.710 nan 8.150 nan 0.000 0.404 210 E N 1.595 122.092 120.200 0.496 0.000 2.266 210 E HA 0.320 4.670 4.350 0.001 0.000 0.277 210 E C -1.906 174.860 176.600 0.277 0.000 1.018 210 E CA -1.690 54.905 56.400 0.326 0.000 0.840 210 E CB 1.334 31.187 29.700 0.256 0.000 1.082 210 E HN 0.338 nan 8.360 nan 0.000 0.395 211 P HA -0.049 nan 4.420 nan 0.000 0.218 211 P C -0.167 177.191 177.300 0.096 0.000 1.149 211 P CA 1.179 64.370 63.100 0.152 0.000 0.817 211 P CB 0.394 32.169 31.700 0.124 0.000 0.785 212 I N -0.875 119.742 120.570 0.078 0.000 2.497 212 I HA 0.132 4.303 4.170 0.001 0.000 0.284 212 I C -0.831 175.298 176.117 0.020 0.000 1.060 212 I CA -1.149 60.162 61.300 0.018 0.000 1.071 212 I CB 2.089 40.094 38.000 0.009 0.000 1.216 212 I HN -0.347 nan 8.210 nan 0.000 0.442 213 L N 5.628 126.833 121.223 -0.030 0.000 2.623 213 L HA 0.078 4.419 4.340 0.001 0.000 0.281 213 L C 1.462 178.304 176.870 -0.047 0.000 1.150 213 L CA 0.771 55.595 54.840 -0.026 0.000 0.965 213 L CB 0.476 42.469 42.059 -0.109 0.000 1.303 213 L HN 0.636 nan 8.230 nan 0.000 0.467 214 S N 1.337 117.030 115.700 -0.011 0.000 2.335 214 S HA -0.167 4.304 4.470 0.001 0.000 0.217 214 S C 2.102 176.658 174.600 -0.072 0.000 1.032 214 S CA 1.610 59.789 58.200 -0.036 0.000 0.985 214 S CB 0.042 63.233 63.200 -0.015 0.000 0.896 214 S HN 0.703 nan 8.310 nan 0.000 0.445 215 S N 0.041 115.701 115.700 -0.066 0.000 2.469 215 S HA 0.034 4.505 4.470 0.001 0.000 0.238 215 S C 1.495 176.038 174.600 -0.096 0.000 0.998 215 S CA 1.260 59.379 58.200 -0.134 0.000 0.957 215 S CB -0.613 62.496 63.200 -0.152 0.000 0.764 215 S HN 0.647 nan 8.310 nan 0.000 0.514 216 G N -0.701 108.055 108.800 -0.074 0.000 3.181 216 G HA2 0.429 4.390 3.960 0.001 0.000 0.219 216 G HA3 0.429 4.390 3.960 0.001 0.000 0.219 216 G C 0.818 175.606 174.900 -0.186 0.000 1.182 216 G CA 0.163 45.199 45.100 -0.107 0.000 0.791 216 G HN 1.051 nan 8.290 nan 0.000 0.537 217 G N 0.785 109.489 108.800 -0.159 0.000 2.145 217 G HA2 -0.157 3.803 3.960 0.001 0.000 0.176 217 G HA3 -0.157 3.803 3.960 0.001 0.000 0.176 217 G C 0.432 175.243 174.900 -0.149 0.000 1.013 217 G CA -0.402 44.602 45.100 -0.161 0.000 0.689 217 G HN 0.892 nan 8.290 nan 0.000 0.506 218 I N -0.762 119.734 120.570 -0.123 0.000 7.316 218 I HA -0.210 3.961 4.170 0.001 0.000 0.126 218 I C 0.480 176.530 176.117 -0.112 0.000 1.806 218 I CA 0.707 61.954 61.300 -0.088 0.000 2.125 218 I CB -2.039 35.933 38.000 -0.046 0.000 3.572 218 I HN 0.430 nan 8.210 nan 0.000 0.196 219 I N 2.543 123.006 120.570 -0.178 0.000 2.328 219 I HA 0.264 4.435 4.170 0.001 0.000 0.287 219 I C 0.946 176.974 176.117 -0.149 0.000 1.012 219 I CA -0.287 60.887 61.300 -0.211 0.000 1.195 219 I CB 1.556 39.299 38.000 -0.427 0.000 1.350 219 I HN 0.304 nan 8.210 nan 0.000 0.464 220 E N 6.706 126.857 120.200 -0.083 0.000 2.283 220 E HA 0.345 4.696 4.350 0.001 0.000 0.278 220 E C -0.867 175.654 176.600 -0.132 0.000 1.027 220 E CA -0.700 55.656 56.400 -0.073 0.000 0.843 220 E CB 1.071 30.753 29.700 -0.031 0.000 1.062 220 E HN 0.506 nan 8.360 nan 0.000 0.401 221 L N 7.418 128.565 121.223 -0.127 0.000 2.369 221 L HA 0.249 4.589 4.340 0.001 0.000 0.279 221 L C -1.675 175.104 176.870 -0.151 0.000 1.108 221 L CA -1.775 52.945 54.840 -0.200 0.000 0.852 221 L CB 0.168 42.211 42.059 -0.028 0.000 1.169 221 L HN 0.461 nan 8.230 nan 0.000 0.452 222 P HA -0.058 nan 4.420 nan 0.000 0.270 222 P C -0.538 176.729 177.300 -0.055 0.000 1.227 222 P CA -0.345 62.584 63.100 -0.284 0.000 0.788 222 P CB 0.607 31.802 31.700 -0.841 0.000 0.926 223 D N 0.303 120.740 120.400 0.062 0.000 2.531 223 D HA 0.072 4.712 4.640 0.001 0.000 0.239 223 D C 1.559 177.990 176.300 0.218 0.000 1.144 223 D CA 2.047 56.129 54.000 0.137 0.000 0.869 223 D CB 0.054 40.936 40.800 0.136 0.000 1.160 223 D HN 0.736 nan 8.370 nan 0.000 0.484 224 G N 2.690 111.584 108.800 0.156 0.000 2.245 224 G HA2 -0.418 3.543 3.960 0.001 0.000 0.264 224 G HA3 -0.418 3.543 3.960 0.001 0.000 0.264 224 G C 0.858 175.853 174.900 0.160 0.000 0.985 224 G CA 0.697 45.882 45.100 0.140 0.000 0.625 224 G HN 0.600 nan 8.290 nan 0.000 0.536 225 Y N 0.419 120.780 120.300 0.100 0.000 2.070 225 Y HA 0.031 4.581 4.550 0.001 0.000 0.279 225 Y C 2.878 178.795 175.900 0.029 0.000 1.134 225 Y CA 2.975 61.120 58.100 0.076 0.000 1.113 225 Y CB -0.444 38.006 38.460 -0.017 0.000 0.981 225 Y HN 0.286 nan 8.280 nan 0.000 0.487 226 M N 0.624 120.316 119.600 0.153 0.000 2.103 226 M HA -0.297 4.184 4.480 0.001 0.000 0.255 226 M C 2.200 178.458 176.300 -0.070 0.000 1.074 226 M CA 2.338 57.671 55.300 0.056 0.000 1.090 226 M CB -0.954 31.706 32.600 0.101 0.000 1.325 226 M HN 0.385 nan 8.290 nan 0.000 0.403 227 A N -0.726 122.065 122.820 -0.049 0.000 1.877 227 A HA 0.034 4.355 4.320 0.001 0.000 0.216 227 A C 2.369 179.868 177.584 -0.143 0.000 1.186 227 A CA 2.259 54.252 52.037 -0.074 0.000 0.620 227 A CB -1.475 17.502 19.000 -0.039 0.000 0.822 227 A HN 0.667 nan 8.150 nan 0.000 0.443 228 A N -0.543 122.166 122.820 -0.185 0.000 1.908 228 A HA -0.073 4.247 4.320 0.001 0.000 0.218 228 A C 2.133 179.499 177.584 -0.363 0.000 1.181 228 A CA 1.813 53.696 52.037 -0.256 0.000 0.627 228 A CB -0.666 18.172 19.000 -0.270 0.000 0.818 228 A HN 0.670 nan 8.150 nan 0.000 0.445 229 L N -0.218 120.727 121.223 -0.463 0.000 2.042 229 L HA -0.148 4.193 4.340 0.001 0.000 0.210 229 L C 2.265 178.920 176.870 -0.357 0.000 1.076 229 L CA 2.722 57.268 54.840 -0.491 0.000 0.749 229 L CB -0.655 41.100 42.059 -0.507 0.000 0.893 229 L HN 0.375 nan 8.230 nan 0.000 0.432 230 K N -0.321 119.932 120.400 -0.246 0.000 2.032 230 K HA -0.171 4.150 4.320 0.001 0.000 0.209 230 K C 2.310 178.800 176.600 -0.184 0.000 1.048 230 K CA 1.630 57.814 56.287 -0.172 0.000 0.927 230 K CB -0.242 32.189 32.500 -0.114 0.000 0.712 230 K HN 0.241 nan 8.250 nan 0.000 0.441 231 R N 0.052 120.432 120.500 -0.200 0.000 2.096 231 R HA -0.064 4.276 4.340 0.001 0.000 0.235 231 R C 2.062 178.207 176.300 -0.259 0.000 1.127 231 R CA 1.255 57.239 56.100 -0.193 0.000 0.968 231 R CB -0.087 30.107 30.300 -0.176 0.000 0.861 231 R HN 0.069 nan 8.270 nan 0.000 0.440 232 K N 0.233 120.400 120.400 -0.388 0.000 2.063 232 K HA -0.144 4.176 4.320 0.001 0.000 0.208 232 K C 2.136 178.464 176.600 -0.453 0.000 1.048 232 K CA 1.292 57.210 56.287 -0.616 0.000 0.928 232 K CB -0.532 31.289 32.500 -1.132 0.000 0.713 232 K HN 0.272 nan 8.250 nan 0.000 0.442 233 C N 1.090 120.219 119.300 -0.284 0.000 2.453 233 C HA -0.050 4.410 4.460 0.001 0.000 0.277 233 C C 2.531 177.466 174.990 -0.091 0.000 1.262 233 C CA 0.542 59.498 59.018 -0.105 0.000 1.718 233 C CB -0.704 27.012 27.740 -0.040 0.000 2.031 233 C HN 0.542 nan 8.230 nan 0.000 0.480 234 E N 1.350 121.483 120.200 -0.111 0.000 2.118 234 E HA -0.176 4.174 4.350 0.001 0.000 0.195 234 E C 2.294 178.842 176.600 -0.088 0.000 0.992 234 E CA 1.357 57.705 56.400 -0.087 0.000 0.804 234 E CB -0.288 29.359 29.700 -0.089 0.000 0.741 234 E HN 0.685 nan 8.360 nan 0.000 0.458 235 A N 1.289 124.036 122.820 -0.122 0.000 2.019 235 A HA -0.133 4.188 4.320 0.001 0.000 0.219 235 A C 1.856 179.391 177.584 -0.082 0.000 1.164 235 A CA 1.098 53.068 52.037 -0.112 0.000 0.644 235 A CB -0.165 18.740 19.000 -0.157 0.000 0.805 235 A HN 0.067 nan 8.150 nan 0.000 0.449 236 R N -1.560 118.897 120.500 -0.072 0.000 2.468 236 R HA 0.306 4.646 4.340 0.001 0.000 0.280 236 R C 0.931 177.221 176.300 -0.016 0.000 0.963 236 R CA 0.399 56.482 56.100 -0.029 0.000 1.083 236 R CB 0.178 30.486 30.300 0.013 0.000 1.200 236 R HN 0.553 nan 8.270 nan 0.000 0.541 237 G N 1.779 110.563 108.800 -0.027 0.000 2.249 237 G HA2 -0.315 3.645 3.960 0.001 0.000 0.273 237 G HA3 -0.315 3.645 3.960 0.001 0.000 0.273 237 G C 0.068 174.962 174.900 -0.010 0.000 1.036 237 G CA 0.339 45.427 45.100 -0.020 0.000 0.824 237 G HN 0.205 nan 8.290 nan 0.000 0.504 238 M N -0.452 119.148 119.600 -0.001 0.000 2.409 238 M HA 0.575 5.055 4.480 0.001 0.000 0.329 238 M C 0.685 176.991 176.300 0.011 0.000 1.180 238 M CA -0.627 54.686 55.300 0.023 0.000 1.053 238 M CB 1.448 34.093 32.600 0.076 0.000 1.586 238 M HN -0.012 nan 8.290 nan 0.000 0.461 239 L N 2.786 124.019 121.223 0.016 0.000 2.307 239 L HA 0.439 4.779 4.340 0.001 0.000 0.282 239 L C -0.756 176.131 176.870 0.030 0.000 1.051 239 L CA -0.945 53.895 54.840 0.001 0.000 0.804 239 L CB 1.352 43.400 42.059 -0.019 0.000 1.197 239 L HN 0.501 nan 8.230 nan 0.000 0.431 240 L N 5.360 126.592 121.223 0.015 0.000 2.275 240 L HA 0.497 4.838 4.340 0.001 0.000 0.288 240 L C -0.534 176.351 176.870 0.024 0.000 1.046 240 L CA 0.246 55.111 54.840 0.041 0.000 0.805 240 L CB 0.897 42.956 42.059 -0.000 0.000 1.193 240 L HN 0.349 nan 8.230 nan 0.000 0.426 241 I N 6.536 127.135 120.570 0.050 0.000 2.382 241 I HA 0.304 4.474 4.170 0.001 0.000 0.286 241 I C -0.708 175.435 176.117 0.044 0.000 1.002 241 I CA -0.483 60.823 61.300 0.010 0.000 1.135 241 I CB 1.415 39.396 38.000 -0.033 0.000 1.288 241 I HN 0.466 nan 8.210 nan 0.000 0.448 242 L N 5.637 126.880 121.223 0.033 0.000 2.264 242 L HA 0.299 4.640 4.340 0.001 0.000 0.289 242 L C -0.098 176.813 176.870 0.067 0.000 1.044 242 L CA -0.384 54.501 54.840 0.075 0.000 0.807 242 L CB 1.046 43.144 42.059 0.065 0.000 1.192 242 L HN 0.538 nan 8.230 nan 0.000 0.425 243 D N 4.294 124.767 120.400 0.122 0.000 2.468 243 D HA 0.062 4.702 4.640 0.001 0.000 0.218 243 D C 0.091 176.481 176.300 0.151 0.000 1.155 243 D CA -0.074 54.007 54.000 0.134 0.000 0.924 243 D CB 0.654 41.590 40.800 0.226 0.000 1.029 243 D HN 0.481 nan 8.370 nan 0.000 0.515 244 E N 2.459 122.731 120.200 0.120 0.000 2.411 244 E HA 0.188 4.538 4.350 0.001 0.000 0.228 244 E C 0.995 177.674 176.600 0.132 0.000 1.169 244 E CA -0.380 56.104 56.400 0.140 0.000 1.421 244 E CB 0.770 30.574 29.700 0.174 0.000 1.333 244 E HN 0.510 nan 8.360 nan 0.000 0.434 245 A N 0.605 123.500 122.820 0.124 0.000 1.969 245 A HA -0.193 4.127 4.320 0.001 0.000 0.218 245 A C 1.992 179.631 177.584 0.092 0.000 1.169 245 A CA 1.261 53.363 52.037 0.109 0.000 0.635 245 A CB 0.091 19.164 19.000 0.121 0.000 0.810 245 A HN 0.242 nan 8.150 nan 0.000 0.445 246 Q N -1.826 118.028 119.800 0.089 0.000 2.350 246 Q HA 0.003 4.343 4.340 0.001 0.000 0.225 246 Q C 1.750 177.776 176.000 0.043 0.000 0.878 246 Q CA 0.988 56.825 55.803 0.057 0.000 0.935 246 Q CB 0.519 29.287 28.738 0.049 0.000 1.099 246 Q HN 0.816 nan 8.270 nan 0.000 0.527 247 T N -3.296 111.298 114.554 0.067 0.000 3.014 247 T HA 0.196 4.546 4.350 0.001 0.000 0.250 247 T C 0.998 175.739 174.700 0.069 0.000 1.060 247 T CA 0.231 62.366 62.100 0.059 0.000 1.040 247 T CB 0.340 69.254 68.868 0.077 0.000 0.971 247 T HN 0.108 nan 8.240 nan 0.000 0.497 248 G N 0.861 109.729 108.800 0.114 0.000 2.616 248 G HA2 0.441 4.401 3.960 0.001 0.000 0.268 248 G HA3 0.441 4.401 3.960 0.001 0.000 0.268 248 G C 0.064 174.959 174.900 -0.009 0.000 1.213 248 G CA -0.089 45.107 45.100 0.160 0.000 0.926 248 G HN 0.831 nan 8.290 nan 0.000 0.523 249 V N -0.071 119.721 119.914 -0.203 0.000 6.110 249 V HA -0.207 3.914 4.120 0.001 0.000 0.322 249 V C 1.884 177.858 176.094 -0.201 0.000 0.518 249 V CA 1.435 63.588 62.300 -0.245 0.000 0.655 249 V CB -1.918 29.849 31.823 -0.094 0.000 0.283 249 V HN 2.743 nan 8.190 nan 0.000 0.990 250 G N 0.690 109.343 108.800 -0.245 0.000 2.205 250 G HA2 -0.473 3.487 3.960 0.001 0.000 0.269 250 G HA3 -0.473 3.487 3.960 0.001 0.000 0.269 250 G C 0.818 175.657 174.900 -0.101 0.000 0.977 250 G CA 1.382 46.385 45.100 -0.161 0.000 0.652 250 G HN 1.182 nan 8.290 nan 0.000 0.539 251 R N 1.131 121.581 120.500 -0.082 0.000 2.127 251 R HA -0.056 4.285 4.340 0.001 0.000 0.238 251 R C 2.487 178.755 176.300 -0.054 0.000 1.134 251 R CA 2.708 58.770 56.100 -0.064 0.000 0.975 251 R CB -0.714 29.557 30.300 -0.049 0.000 0.865 251 R HN 0.725 nan 8.270 nan 0.000 0.447 252 T N -4.119 110.410 114.554 -0.041 0.000 3.186 252 T HA 0.366 4.717 4.350 0.001 0.000 0.257 252 T C 1.083 175.766 174.700 -0.029 0.000 1.029 252 T CA 0.072 62.156 62.100 -0.028 0.000 0.916 252 T CB 0.524 69.388 68.868 -0.005 0.000 1.041 252 T HN 0.411 nan 8.240 nan 0.000 0.562 253 G N 1.088 109.862 108.800 -0.043 0.000 2.176 253 G HA2 -0.178 3.783 3.960 0.001 0.000 0.232 253 G HA3 -0.178 3.783 3.960 0.001 0.000 0.232 253 G C 0.151 175.028 174.900 -0.039 0.000 0.986 253 G CA 0.055 45.132 45.100 -0.038 0.000 0.643 253 G HN 1.190 nan 8.290 nan 0.000 0.522 254 T N -2.897 111.627 114.554 -0.049 0.000 2.906 254 T HA 0.618 4.968 4.350 0.001 0.000 0.295 254 T C 0.997 175.616 174.700 -0.135 0.000 1.061 254 T CA 0.081 62.149 62.100 -0.054 0.000 1.000 254 T CB 1.801 70.668 68.868 -0.002 0.000 1.103 254 T HN 0.315 nan 8.240 nan 0.000 0.486 255 M N 0.435 119.909 119.600 -0.210 0.000 2.108 255 M HA 0.234 4.715 4.480 0.001 0.000 0.261 255 M C -0.818 174.987 176.300 -0.824 0.000 1.066 255 M CA 1.458 56.448 55.300 -0.516 0.000 1.107 255 M CB -0.741 31.537 32.600 -0.536 0.000 1.356 255 M HN 0.633 nan 8.290 nan 0.000 0.406 256 F N -1.570 118.382 119.950 0.003 0.000 2.557 256 F HA 0.555 5.082 4.527 0.001 0.000 0.316 256 F C 0.893 176.701 175.800 0.014 0.000 1.141 256 F CA -0.857 57.148 58.000 0.009 0.000 0.922 256 F CB 0.645 39.650 39.000 0.009 0.000 1.194 256 F HN -0.031 nan 8.300 nan 0.000 0.443 257 A N 1.033 123.962 122.820 0.182 0.000 2.024 257 A HA -0.220 4.101 4.320 0.001 0.000 0.220 257 A C 2.103 179.758 177.584 0.118 0.000 1.164 257 A CA 2.055 54.161 52.037 0.115 0.000 0.643 257 A CB -1.251 17.808 19.000 0.098 0.000 0.806 257 A HN 1.014 nan 8.150 nan 0.000 0.451 258 C N -1.653 117.733 119.300 0.143 0.000 2.448 258 C HA 0.002 4.463 4.460 0.001 0.000 0.280 258 C C 2.345 177.390 174.990 0.091 0.000 1.398 258 C CA 0.782 59.861 59.018 0.102 0.000 1.774 258 C CB -1.623 26.161 27.740 0.073 0.000 1.888 258 C HN 0.641 nan 8.230 nan 0.000 0.519 259 Q N 0.624 120.498 119.800 0.123 0.000 2.224 259 Q HA -0.138 4.203 4.340 0.001 0.000 0.203 259 Q C 2.560 178.600 176.000 0.066 0.000 0.970 259 Q CA 1.275 57.138 55.803 0.100 0.000 0.865 259 Q CB -0.248 28.567 28.738 0.129 0.000 0.922 259 Q HN 0.766 nan 8.270 nan 0.000 0.445 260 R N 0.652 121.190 120.500 0.063 0.000 2.090 260 R HA -0.130 4.211 4.340 0.001 0.000 0.228 260 R C 0.689 177.016 176.300 0.045 0.000 1.110 260 R CA 1.687 57.815 56.100 0.047 0.000 0.973 260 R CB 0.210 30.535 30.300 0.043 0.000 0.869 260 R HN 0.206 nan 8.270 nan 0.000 0.440 261 D N -1.294 119.137 120.400 0.052 0.000 2.323 261 D HA 0.101 4.741 4.640 0.001 0.000 0.209 261 D C 0.943 177.265 176.300 0.037 0.000 0.973 261 D CA 1.073 55.102 54.000 0.049 0.000 0.874 261 D CB 0.441 41.276 40.800 0.059 0.000 0.930 261 D HN 0.494 nan 8.370 nan 0.000 0.521 262 G N 0.056 108.877 108.800 0.036 0.000 2.162 262 G HA2 -0.282 3.679 3.960 0.001 0.000 0.260 262 G HA3 -0.282 3.679 3.960 0.001 0.000 0.260 262 G C 0.209 175.119 174.900 0.016 0.000 0.976 262 G CA 0.265 45.380 45.100 0.026 0.000 0.655 262 G HN 0.298 nan 8.290 nan 0.000 0.533 263 V N 1.870 121.794 119.914 0.018 0.000 2.348 263 V HA 0.484 4.605 4.120 0.001 0.000 0.270 263 V C 0.728 176.822 176.094 -0.000 0.000 1.037 263 V CA -0.036 62.266 62.300 0.003 0.000 0.872 263 V CB 1.339 33.163 31.823 0.002 0.000 1.002 263 V HN 0.277 nan 8.190 nan 0.000 0.464 264 T N 8.748 123.294 114.554 -0.014 0.000 2.794 264 T HA 0.315 4.665 4.350 0.001 0.000 0.296 264 T C -1.966 172.713 174.700 -0.035 0.000 0.949 264 T CA -0.591 61.493 62.100 -0.027 0.000 1.101 264 T CB 1.185 70.033 68.868 -0.034 0.000 0.905 264 T HN 0.551 nan 8.240 nan 0.000 0.516 265 P HA 0.301 nan 4.420 nan 0.000 0.276 265 P C 0.162 177.429 177.300 -0.055 0.000 1.261 265 P CA -0.463 62.613 63.100 -0.040 0.000 0.800 265 P CB 1.191 32.871 31.700 -0.034 0.000 1.066 266 D N -0.149 120.221 120.400 -0.050 0.000 2.162 266 D HA 0.090 4.730 4.640 0.001 0.000 0.203 266 D C 0.643 176.895 176.300 -0.079 0.000 0.967 266 D CA 1.402 55.365 54.000 -0.061 0.000 0.840 266 D CB 0.324 41.093 40.800 -0.052 0.000 0.972 266 D HN 0.352 nan 8.370 nan 0.000 0.482 267 I N 0.891 121.415 120.570 -0.077 0.000 2.607 267 I HA 0.214 4.384 4.170 0.001 0.000 0.290 267 I C -1.167 174.896 176.117 -0.089 0.000 1.129 267 I CA -0.881 60.361 61.300 -0.097 0.000 1.042 267 I CB 2.916 40.853 38.000 -0.104 0.000 1.242 267 I HN -0.222 nan 8.210 nan 0.000 0.421 268 L N 6.128 127.282 121.223 -0.114 0.000 2.334 268 L HA 0.777 5.118 4.340 0.001 0.000 0.276 268 L C -0.138 176.674 176.870 -0.096 0.000 1.014 268 L CA 0.205 54.974 54.840 -0.117 0.000 0.815 268 L CB 2.012 43.944 42.059 -0.213 0.000 1.268 268 L HN 0.732 nan 8.230 nan 0.000 0.428 269 T N 3.113 117.637 114.554 -0.050 0.000 2.861 269 T HA 0.769 5.119 4.350 0.001 0.000 0.287 269 T C -0.704 174.009 174.700 0.022 0.000 1.003 269 T CA -0.669 61.416 62.100 -0.025 0.000 0.977 269 T CB 1.009 69.865 68.868 -0.020 0.000 0.996 269 T HN 0.542 nan 8.240 nan 0.000 0.448 270 L N 2.492 123.734 121.223 0.032 0.000 2.350 270 L HA 0.813 5.154 4.340 0.001 0.000 0.260 270 L C 0.615 177.523 176.870 0.063 0.000 1.015 270 L CA -0.865 54.018 54.840 0.072 0.000 0.821 270 L CB 2.440 44.560 42.059 0.101 0.000 1.370 270 L HN 1.053 nan 8.230 nan 0.000 0.416 271 S N -0.678 115.064 115.700 0.070 0.000 6.434 271 S HA 0.079 4.550 4.470 0.001 0.000 0.095 271 S C 1.079 175.710 174.600 0.052 0.000 1.248 271 S CA -0.425 57.811 58.200 0.060 0.000 1.312 271 S CB 0.039 63.278 63.200 0.065 0.000 1.909 271 S HN 0.433 nan 8.310 nan 0.000 0.583 272 K N 1.495 121.929 120.400 0.057 0.000 2.049 272 K HA -0.195 4.126 4.320 0.001 0.000 0.219 272 K C 2.276 178.888 176.600 0.021 0.000 1.056 272 K CA 2.660 58.972 56.287 0.041 0.000 0.946 272 K CB -0.808 31.718 32.500 0.045 0.000 0.723 272 K HN 0.798 nan 8.250 nan 0.000 0.453 273 T N -0.882 113.684 114.554 0.021 0.000 3.113 273 T HA -0.011 4.340 4.350 0.001 0.000 0.256 273 T C 1.591 176.289 174.700 -0.003 0.000 1.131 273 T CA 0.391 62.490 62.100 -0.001 0.000 1.074 273 T CB 0.119 68.981 68.868 -0.009 0.000 0.944 273 T HN 0.067 nan 8.240 nan 0.000 0.516 274 L N 1.155 122.389 121.223 0.018 0.000 2.307 274 L HA 0.511 4.852 4.340 0.001 0.000 0.211 274 L C 2.310 179.182 176.870 0.003 0.000 1.099 274 L CA 1.273 56.124 54.840 0.017 0.000 0.816 274 L CB -0.611 41.474 42.059 0.043 0.000 0.952 274 L HN 0.357 nan 8.230 nan 0.000 0.455 275 G N -1.461 107.342 108.800 0.005 0.000 2.662 275 G HA2 0.211 4.171 3.960 0.001 0.000 0.212 275 G HA3 0.211 4.171 3.960 0.001 0.000 0.212 275 G C 0.904 175.799 174.900 -0.008 0.000 1.141 275 G CA 0.316 45.416 45.100 0.000 0.000 0.797 275 G HN 0.678 nan 8.290 nan 0.000 0.531 276 A N -0.694 122.117 122.820 -0.015 0.000 2.610 276 A HA 0.279 4.600 4.320 0.001 0.000 0.299 276 A C 1.786 179.362 177.584 -0.014 0.000 1.487 276 A CA 1.631 53.650 52.037 -0.029 0.000 0.743 276 A CB -1.650 17.324 19.000 -0.044 0.000 1.070 276 A HN 2.325 nan 8.150 nan 0.000 0.439 277 G N -2.393 106.406 108.800 -0.002 0.000 2.157 277 G HA2 -0.063 3.898 3.960 0.001 0.000 0.239 277 G HA3 -0.063 3.898 3.960 0.001 0.000 0.239 277 G C 0.050 174.964 174.900 0.025 0.000 0.982 277 G CA 0.544 45.656 45.100 0.019 0.000 0.650 277 G HN 2.017 nan 8.290 nan 0.000 0.527 278 L N 1.462 122.693 121.223 0.014 0.000 2.385 278 L HA 0.600 4.940 4.340 0.001 0.000 0.273 278 L C -1.959 174.913 176.870 0.003 0.000 0.990 278 L CA -2.493 52.351 54.840 0.007 0.000 0.821 278 L CB 2.303 44.364 42.059 0.004 0.000 1.279 278 L HN -0.092 nan 8.230 nan 0.000 0.412 279 P HA 0.064 nan 4.420 nan 0.000 0.257 279 P C -1.145 176.155 177.300 0.000 0.000 1.359 279 P CA 0.100 63.198 63.100 -0.003 0.000 1.239 279 P CB 0.288 31.974 31.700 -0.024 0.000 1.549 280 L N 3.123 124.357 121.223 0.017 0.000 2.422 280 L HA 0.834 5.175 4.340 0.001 0.000 0.264 280 L C -1.287 175.606 176.870 0.038 0.000 0.984 280 L CA -0.778 54.078 54.840 0.026 0.000 0.819 280 L CB 2.253 44.320 42.059 0.013 0.000 1.330 280 L HN 0.393 nan 8.230 nan 0.000 0.410 281 A N 3.000 125.849 122.820 0.047 0.000 2.567 281 A HA 1.098 5.418 4.320 0.001 0.000 0.289 281 A C -1.406 176.201 177.584 0.040 0.000 1.177 281 A CA -0.091 51.974 52.037 0.048 0.000 0.694 281 A CB 1.418 20.451 19.000 0.056 0.000 1.292 281 A HN 2.053 nan 8.150 nan 0.000 0.425 282 A N -0.858 121.977 122.820 0.025 0.000 2.522 282 A HA 0.641 4.962 4.320 0.001 0.000 0.294 282 A C -1.299 176.270 177.584 -0.026 0.000 1.001 282 A CA 0.228 52.268 52.037 0.005 0.000 0.642 282 A CB 0.024 19.030 19.000 0.010 0.000 1.326 282 A HN 2.351 nan 8.150 nan 0.000 0.435 283 I N -1.491 119.047 120.570 -0.053 0.000 2.828 283 I HA 0.925 5.096 4.170 0.001 0.000 0.302 283 I C -1.321 174.739 176.117 -0.094 0.000 1.101 283 I CA -1.227 60.021 61.300 -0.086 0.000 1.031 283 I CB 2.287 40.214 38.000 -0.121 0.000 1.231 283 I HN 0.436 nan 8.210 nan 0.000 0.427 284 V N 3.292 123.136 119.914 -0.116 0.000 2.638 284 V HA 0.686 4.806 4.120 0.001 0.000 0.306 284 V C -0.153 175.864 176.094 -0.128 0.000 1.052 284 V CA -0.272 61.956 62.300 -0.120 0.000 0.885 284 V CB 1.612 33.350 31.823 -0.142 0.000 0.999 284 V HN 0.978 nan 8.190 nan 0.000 0.424 285 T N 1.665 116.146 114.554 -0.121 0.000 2.838 285 T HA 0.585 4.936 4.350 0.001 0.000 0.292 285 T C 0.088 174.728 174.700 -0.101 0.000 1.113 285 T CA 0.171 62.199 62.100 -0.120 0.000 1.008 285 T CB 1.990 70.771 68.868 -0.144 0.000 1.259 285 T HN 1.114 nan 8.240 nan 0.000 0.520 286 S N 1.081 116.727 115.700 -0.091 0.000 2.589 286 S HA 0.487 4.957 4.470 0.001 0.000 0.265 286 S C 1.740 176.298 174.600 -0.071 0.000 1.342 286 S CA 0.053 58.209 58.200 -0.074 0.000 1.005 286 S CB 0.529 63.691 63.200 -0.064 0.000 0.909 286 S HN 1.043 nan 8.310 nan 0.000 0.555 287 A N 2.138 124.924 122.820 -0.058 0.000 1.933 287 A HA 0.178 4.499 4.320 0.001 0.000 0.218 287 A C 2.424 179.979 177.584 -0.048 0.000 1.175 287 A CA 1.732 53.737 52.037 -0.052 0.000 0.628 287 A CB -1.677 17.299 19.000 -0.041 0.000 0.814 287 A HN 1.376 nan 8.150 nan 0.000 0.444 288 A N -0.018 122.775 122.820 -0.044 0.000 1.902 288 A HA -0.075 4.246 4.320 0.001 0.000 0.217 288 A C 2.123 179.681 177.584 -0.045 0.000 1.181 288 A CA 1.506 53.521 52.037 -0.037 0.000 0.623 288 A CB -0.586 18.394 19.000 -0.033 0.000 0.818 288 A HN 0.490 nan 8.150 nan 0.000 0.443 289 I N -0.609 119.923 120.570 -0.062 0.000 2.226 289 I HA -0.218 3.953 4.170 0.001 0.000 0.245 289 I C 2.664 178.720 176.117 -0.101 0.000 1.100 289 I CA 1.539 62.789 61.300 -0.082 0.000 1.374 289 I CB -0.293 37.646 38.000 -0.101 0.000 1.057 289 I HN 0.432 nan 8.210 nan 0.000 0.413 290 E N 1.080 121.218 120.200 -0.103 0.000 2.051 290 E HA -0.258 4.093 4.350 0.001 0.000 0.192 290 E C 2.005 178.582 176.600 -0.038 0.000 0.991 290 E CA 1.396 57.730 56.400 -0.109 0.000 0.799 290 E CB -0.019 29.621 29.700 -0.100 0.000 0.748 290 E HN 0.338 nan 8.360 nan 0.000 0.449 291 E N 0.672 120.862 120.200 -0.016 0.000 2.051 291 E HA -0.199 4.151 4.350 0.001 0.000 0.192 291 E C 2.190 178.828 176.600 0.064 0.000 0.991 291 E CA 1.007 57.431 56.400 0.039 0.000 0.799 291 E CB -0.278 29.433 29.700 0.018 0.000 0.748 291 E HN 0.035 nan 8.360 nan 0.000 0.449 292 R N 0.899 121.408 120.500 0.014 0.000 2.083 292 R HA -0.063 4.278 4.340 0.001 0.000 0.237 292 R C 2.104 178.412 176.300 0.013 0.000 1.137 292 R CA 1.961 58.066 56.100 0.008 0.000 0.951 292 R CB -1.008 29.284 30.300 -0.014 0.000 0.851 292 R HN 0.132 nan 8.270 nan 0.000 0.434 293 A N -0.649 122.163 122.820 -0.013 0.000 1.933 293 A HA -0.213 4.108 4.320 0.001 0.000 0.218 293 A C 2.145 179.790 177.584 0.102 0.000 1.175 293 A CA 1.943 53.977 52.037 -0.005 0.000 0.628 293 A CB -0.934 17.941 19.000 -0.208 0.000 0.814 293 A HN 0.673 nan 8.150 nan 0.000 0.444 294 H N 0.047 119.125 119.070 0.014 0.000 2.353 294 H HA -0.057 4.500 4.556 0.001 0.000 0.300 294 H C 1.832 177.186 175.328 0.043 0.000 1.090 294 H CA 1.984 58.061 56.048 0.048 0.000 1.327 294 H CB -0.178 29.597 29.762 0.022 0.000 1.383 294 H HN 0.610 nan 8.280 nan 0.000 0.508 295 E N -0.081 120.088 120.200 -0.051 0.000 2.204 295 E HA -0.096 4.255 4.350 0.001 0.000 0.195 295 E C 1.164 177.711 176.600 -0.088 0.000 0.990 295 E CA 0.964 57.304 56.400 -0.100 0.000 0.821 295 E CB 0.067 29.758 29.700 -0.014 0.000 0.750 295 E HN 0.522 nan 8.360 nan 0.000 0.477 296 L N -0.045 121.156 121.223 -0.036 0.000 2.728 296 L HA 0.246 4.587 4.340 0.001 0.000 0.235 296 L C 0.885 177.752 176.870 -0.006 0.000 1.197 296 L CA -0.102 54.733 54.840 -0.009 0.000 0.992 296 L CB -0.090 41.984 42.059 0.026 0.000 1.263 296 L HN 0.134 nan 8.230 nan 0.000 0.484 297 G N 0.113 108.879 108.800 -0.058 0.000 2.323 297 G HA2 -0.371 3.590 3.960 0.001 0.000 0.292 297 G HA3 -0.371 3.590 3.960 0.001 0.000 0.292 297 G C 0.053 174.964 174.900 0.020 0.000 1.040 297 G CA -0.085 44.986 45.100 -0.048 0.000 0.942 297 G HN 0.463 nan 8.290 nan 0.000 0.506 298 Y N -0.584 119.694 120.300 -0.037 0.000 2.721 298 Y HA 0.407 4.958 4.550 0.001 0.000 0.329 298 Y C 0.141 176.015 175.900 -0.045 0.000 1.211 298 Y CA -0.120 57.968 58.100 -0.019 0.000 1.512 298 Y CB 0.297 38.758 38.460 0.002 0.000 1.249 298 Y HN 0.224 nan 8.280 nan 0.000 0.549 299 L N 7.830 128.661 121.223 -0.653 0.000 2.408 299 L HA 0.466 4.807 4.340 0.001 0.000 0.268 299 L C -1.407 175.008 176.870 -0.758 0.000 0.986 299 L CA -0.649 53.785 54.840 -0.676 0.000 0.820 299 L CB 1.755 43.503 42.059 -0.519 0.000 1.303 299 L HN 0.669 nan 8.230 nan 0.000 0.411 300 F N 3.359 122.780 119.950 -0.880 0.000 3.159 300 F HA 0.403 4.930 4.527 0.001 0.000 0.394 300 F C -1.318 174.251 175.800 -0.384 0.000 1.214 300 F CA -0.498 57.169 58.000 -0.555 0.000 1.241 300 F CB 0.394 39.167 39.000 -0.379 0.000 2.238 300 F HN 0.264 nan 8.300 nan 0.000 0.658 301 Y N 1.182 121.308 120.300 -0.289 0.000 2.299 301 Y HA 0.610 5.161 4.550 0.001 0.000 0.326 301 Y C 0.862 176.612 175.900 -0.249 0.000 1.164 301 Y CA -0.569 57.409 58.100 -0.204 0.000 1.234 301 Y CB 1.184 39.534 38.460 -0.184 0.000 1.219 301 Y HN 0.433 nan 8.280 nan 0.000 0.497 302 T N -2.974 111.594 114.554 0.024 0.000 2.864 302 T HA 0.277 4.627 4.350 0.001 0.000 0.299 302 T C 0.606 175.267 174.700 -0.064 0.000 1.166 302 T CA -0.734 61.345 62.100 -0.035 0.000 1.007 302 T CB 1.381 70.268 68.868 0.032 0.000 1.219 302 T HN 0.517 nan 8.240 nan 0.000 0.506 303 T N 0.811 115.251 114.554 -0.188 0.000 2.684 303 T HA -0.107 4.244 4.350 0.001 0.000 0.267 303 T C 1.101 175.635 174.700 -0.276 0.000 1.036 303 T CA 1.531 63.430 62.100 -0.334 0.000 1.148 303 T CB -0.460 67.978 68.868 -0.717 0.000 0.863 303 T HN 0.747 nan 8.240 nan 0.000 0.436 304 H N -0.187 118.955 119.070 0.119 0.000 2.520 304 H HA 0.408 4.965 4.556 0.001 0.000 0.284 304 H C 0.524 175.915 175.328 0.104 0.000 1.037 304 H CA -0.413 55.717 56.048 0.137 0.000 1.168 304 H CB -0.574 29.245 29.762 0.095 0.000 1.497 304 H HN 0.169 nan 8.280 nan 0.000 0.547 305 V N 2.032 122.028 119.914 0.137 0.000 2.458 305 V HA -0.027 4.094 4.120 0.001 0.000 0.287 305 V C 0.222 176.365 176.094 0.081 0.000 1.009 305 V CA 0.623 62.992 62.300 0.114 0.000 1.091 305 V CB 0.009 31.895 31.823 0.104 0.000 0.960 305 V HN 0.655 nan 8.190 nan 0.000 0.476 306 S N 3.244 118.990 115.700 0.077 0.000 3.787 306 S HA -0.155 4.316 4.470 0.001 0.000 0.321 306 S C -0.185 174.446 174.600 0.053 0.000 1.119 306 S CA 0.840 59.069 58.200 0.047 0.000 0.918 306 S CB -1.373 61.840 63.200 0.022 0.000 0.913 306 S HN 1.007 nan 8.310 nan 0.000 0.506 307 D N 1.710 122.167 120.400 0.095 0.000 2.312 307 D HA 0.295 4.935 4.640 0.001 0.000 0.252 307 D C -0.457 175.880 176.300 0.063 0.000 1.150 307 D CA -1.824 52.248 54.000 0.121 0.000 0.870 307 D CB 0.990 41.923 40.800 0.222 0.000 1.153 307 D HN 0.132 nan 8.370 nan 0.000 0.457 308 P HA -0.196 nan 4.420 nan 0.000 0.215 308 P C 1.845 179.099 177.300 -0.078 0.000 1.157 308 P CA 0.786 63.886 63.100 0.000 0.000 0.874 308 P CB 0.571 32.308 31.700 0.062 0.000 0.790 309 L N -0.078 121.145 121.223 -0.001 0.000 1.989 309 L HA -0.102 4.238 4.340 0.001 0.000 0.211 309 L C -0.386 176.442 176.870 -0.070 0.000 1.071 309 L CA 2.639 57.462 54.840 -0.027 0.000 0.749 309 L CB -1.899 40.200 42.059 0.068 0.000 0.890 309 L HN 0.028 nan 8.230 nan 0.000 0.431 310 P HA -0.154 nan 4.420 nan 0.000 0.216 310 P C 1.332 178.602 177.300 -0.049 0.000 1.150 310 P CA 1.764 64.848 63.100 -0.028 0.000 0.837 310 P CB -0.069 31.629 31.700 -0.002 0.000 0.786 311 A N 0.013 122.797 122.820 -0.060 0.000 1.902 311 A HA -0.118 4.203 4.320 0.001 0.000 0.217 311 A C 2.317 179.820 177.584 -0.135 0.000 1.181 311 A CA 2.100 54.093 52.037 -0.073 0.000 0.623 311 A CB -1.613 17.350 19.000 -0.062 0.000 0.818 311 A HN 0.190 nan 8.150 nan 0.000 0.443 312 A N -0.571 122.097 122.820 -0.254 0.000 1.877 312 A HA -0.015 4.306 4.320 0.001 0.000 0.216 312 A C 2.232 179.696 177.584 -0.200 0.000 1.186 312 A CA 1.839 53.640 52.037 -0.394 0.000 0.620 312 A CB -0.983 17.428 19.000 -0.982 0.000 0.822 312 A HN 0.404 nan 8.150 nan 0.000 0.443 313 V N -0.059 119.776 119.914 -0.132 0.000 2.343 313 V HA -0.171 3.950 4.120 0.001 0.000 0.247 313 V C 2.797 178.861 176.094 -0.050 0.000 1.051 313 V CA 1.930 64.196 62.300 -0.057 0.000 1.036 313 V CB -1.415 30.391 31.823 -0.027 0.000 0.654 313 V HN 0.622 nan 8.190 nan 0.000 0.451 314 G N -0.274 108.496 108.800 -0.051 0.000 2.418 314 G HA2 -0.243 3.718 3.960 0.001 0.000 0.217 314 G HA3 -0.243 3.718 3.960 0.001 0.000 0.217 314 G C 1.566 176.446 174.900 -0.034 0.000 1.158 314 G CA 1.027 46.107 45.100 -0.033 0.000 0.771 314 G HN 0.443 nan 8.290 nan 0.000 0.545 315 L N 0.491 121.686 121.223 -0.046 0.000 2.141 315 L HA 0.147 4.488 4.340 0.001 0.000 0.209 315 L C 2.611 179.462 176.870 -0.030 0.000 1.094 315 L CA 1.667 56.486 54.840 -0.034 0.000 0.763 315 L CB -0.332 41.701 42.059 -0.044 0.000 0.908 315 L HN 0.196 nan 8.230 nan 0.000 0.437 316 R N -1.119 119.359 120.500 -0.036 0.000 2.119 316 R HA -0.022 4.319 4.340 0.001 0.000 0.222 316 R C 1.968 178.236 176.300 -0.053 0.000 1.088 316 R CA 1.655 57.739 56.100 -0.027 0.000 0.984 316 R CB -0.880 29.414 30.300 -0.010 0.000 0.884 316 R HN 0.262 nan 8.270 nan 0.000 0.447 317 V N 0.739 120.617 119.914 -0.061 0.000 2.358 317 V HA -0.198 3.922 4.120 0.001 0.000 0.246 317 V C 2.279 178.327 176.094 -0.076 0.000 1.047 317 V CA 1.740 63.989 62.300 -0.085 0.000 1.035 317 V CB -0.402 31.381 31.823 -0.068 0.000 0.658 317 V HN 0.287 nan 8.190 nan 0.000 0.452 318 L N -0.327 120.866 121.223 -0.050 0.000 2.017 318 L HA -0.199 4.141 4.340 0.001 0.000 0.208 318 L C 2.422 179.266 176.870 -0.044 0.000 1.073 318 L CA 1.697 56.511 54.840 -0.044 0.000 0.745 318 L CB -0.831 41.217 42.059 -0.018 0.000 0.894 318 L HN 0.349 nan 8.230 nan 0.000 0.432 319 D N -0.240 120.140 120.400 -0.034 0.000 2.149 319 D HA -0.158 4.482 4.640 0.001 0.000 0.198 319 D C 2.289 178.569 176.300 -0.034 0.000 0.990 319 D CA 1.146 55.132 54.000 -0.024 0.000 0.839 319 D CB -0.170 40.624 40.800 -0.010 0.000 0.948 319 D HN 0.131 nan 8.370 nan 0.000 0.460 320 V N 0.636 120.514 119.914 -0.061 0.000 2.427 320 V HA -0.176 3.945 4.120 0.001 0.000 0.248 320 V C 2.631 178.686 176.094 -0.065 0.000 1.051 320 V CA 0.865 63.119 62.300 -0.076 0.000 1.048 320 V CB -0.279 31.432 31.823 -0.185 0.000 0.666 320 V HN 0.054 nan 8.190 nan 0.000 0.456 321 V N -0.480 119.389 119.914 -0.076 0.000 2.358 321 V HA -0.302 3.819 4.120 0.001 0.000 0.246 321 V C 2.371 178.431 176.094 -0.057 0.000 1.047 321 V CA 2.002 64.259 62.300 -0.073 0.000 1.035 321 V CB -0.644 31.123 31.823 -0.093 0.000 0.658 321 V HN 0.558 nan 8.190 nan 0.000 0.452 322 Q N -0.356 119.414 119.800 -0.049 0.000 1.994 322 Q HA -0.187 4.153 4.340 0.001 0.000 0.198 322 Q C 2.464 178.451 176.000 -0.021 0.000 0.976 322 Q CA 1.813 57.595 55.803 -0.036 0.000 0.828 322 Q CB -0.292 28.429 28.738 -0.028 0.000 0.894 322 Q HN 0.516 nan 8.270 nan 0.000 0.432 323 R N 0.931 121.423 120.500 -0.014 0.000 2.115 323 R HA -0.187 4.153 4.340 0.001 0.000 0.239 323 R C 0.766 177.067 176.300 0.002 0.000 1.133 323 R CA 2.079 58.178 56.100 -0.002 0.000 0.935 323 R CB -0.156 30.147 30.300 0.006 0.000 0.853 323 R HN 0.211 nan 8.270 nan 0.000 0.433 324 D N -0.275 120.127 120.400 0.003 0.000 2.323 324 D HA 0.081 4.721 4.640 0.001 0.000 0.239 324 D C 0.261 176.561 176.300 -0.001 0.000 1.129 324 D CA 0.933 54.940 54.000 0.011 0.000 0.865 324 D CB 0.028 40.846 40.800 0.030 0.000 0.913 324 D HN 0.594 nan 8.370 nan 0.000 0.517 325 G N 1.666 110.458 108.800 -0.012 0.000 2.424 325 G HA2 -0.296 3.664 3.960 0.001 0.000 0.294 325 G HA3 -0.296 3.664 3.960 0.001 0.000 0.294 325 G C 1.050 175.935 174.900 -0.025 0.000 0.939 325 G CA 0.115 45.203 45.100 -0.020 0.000 1.143 325 G HN 0.428 nan 8.290 nan 0.000 0.507 326 L N -0.710 120.493 121.223 -0.034 0.000 2.376 326 L HA -0.043 4.298 4.340 0.001 0.000 0.219 326 L C 2.727 179.565 176.870 -0.053 0.000 1.133 326 L CA 0.365 55.182 54.840 -0.039 0.000 0.816 326 L CB -0.299 41.733 42.059 -0.045 0.000 0.933 326 L HN 0.353 nan 8.230 nan 0.000 0.449 327 V N 0.263 120.140 119.914 -0.062 0.000 2.427 327 V HA -0.231 3.889 4.120 0.001 0.000 0.248 327 V C 2.756 178.820 176.094 -0.050 0.000 1.051 327 V CA 1.764 64.022 62.300 -0.070 0.000 1.048 327 V CB -0.629 31.144 31.823 -0.085 0.000 0.666 327 V HN 0.478 nan 8.190 nan 0.000 0.456 328 A N -0.235 122.562 122.820 -0.038 0.000 1.873 328 A HA -0.164 4.157 4.320 0.001 0.000 0.215 328 A C 2.341 179.910 177.584 -0.026 0.000 1.186 328 A CA 1.214 53.234 52.037 -0.027 0.000 0.616 328 A CB -0.481 18.508 19.000 -0.019 0.000 0.823 328 A HN 0.343 nan 8.150 nan 0.000 0.442 329 R N -0.168 120.317 120.500 -0.026 0.000 2.133 329 R HA -0.186 4.154 4.340 0.001 0.000 0.247 329 R C 2.335 178.615 176.300 -0.034 0.000 1.151 329 R CA 1.493 57.578 56.100 -0.024 0.000 0.971 329 R CB -1.138 29.149 30.300 -0.021 0.000 0.866 329 R HN 0.559 nan 8.270 nan 0.000 0.447 330 A N 1.486 124.280 122.820 -0.044 0.000 1.902 330 A HA -0.159 4.162 4.320 0.001 0.000 0.217 330 A C 1.895 179.452 177.584 -0.046 0.000 1.181 330 A CA 1.459 53.464 52.037 -0.054 0.000 0.623 330 A CB -0.361 18.603 19.000 -0.060 0.000 0.818 330 A HN 0.320 nan 8.150 nan 0.000 0.443 331 N N 0.043 118.722 118.700 -0.035 0.000 2.171 331 N HA -0.093 4.648 4.740 0.001 0.000 0.184 331 N C 1.801 177.298 175.510 -0.022 0.000 1.021 331 N CA 1.580 54.614 53.050 -0.027 0.000 0.854 331 N CB -0.366 38.109 38.487 -0.020 0.000 0.994 331 N HN 0.284 nan 8.380 nan 0.000 0.426 332 V N 2.045 121.947 119.914 -0.020 0.000 2.270 332 V HA -0.160 3.961 4.120 0.001 0.000 0.245 332 V C 2.420 178.505 176.094 -0.016 0.000 1.043 332 V CA 1.262 63.554 62.300 -0.013 0.000 1.014 332 V CB -0.348 31.470 31.823 -0.009 0.000 0.645 332 V HN 0.237 nan 8.190 nan 0.000 0.447 333 M N 0.389 119.975 119.600 -0.024 0.000 2.296 333 M HA -0.032 4.449 4.480 0.001 0.000 0.265 333 M C 2.207 178.480 176.300 -0.044 0.000 1.064 333 M CA 1.755 57.036 55.300 -0.030 0.000 1.109 333 M CB -1.708 30.866 32.600 -0.043 0.000 1.396 333 M HN 0.459 nan 8.290 nan 0.000 0.430 334 G N 0.086 108.858 108.800 -0.047 0.000 2.394 334 G HA2 -0.233 3.728 3.960 0.001 0.000 0.214 334 G HA3 -0.233 3.728 3.960 0.001 0.000 0.214 334 G C 1.232 176.113 174.900 -0.032 0.000 1.176 334 G CA 1.056 46.126 45.100 -0.051 0.000 0.786 334 G HN 0.442 nan 8.290 nan 0.000 0.533 335 D N -0.185 120.203 120.400 -0.020 0.000 2.144 335 D HA -0.093 4.548 4.640 0.001 0.000 0.199 335 D C 2.371 178.667 176.300 -0.005 0.000 0.984 335 D CA 0.855 54.848 54.000 -0.011 0.000 0.834 335 D CB -0.087 40.709 40.800 -0.006 0.000 0.955 335 D HN 0.266 nan 8.370 nan 0.000 0.465 336 R N -0.045 120.452 120.500 -0.005 0.000 2.073 336 R HA -0.073 4.268 4.340 0.001 0.000 0.234 336 R C 2.420 178.725 176.300 0.009 0.000 1.134 336 R CA 0.846 56.949 56.100 0.005 0.000 0.952 336 R CB -0.456 29.849 30.300 0.008 0.000 0.850 336 R HN 0.303 nan 8.270 nan 0.000 0.433 337 L N 0.776 121.998 121.223 -0.001 0.000 2.093 337 L HA -0.170 4.171 4.340 0.001 0.000 0.208 337 L C 2.759 179.632 176.870 0.006 0.000 1.085 337 L CA 1.351 56.194 54.840 0.005 0.000 0.755 337 L CB -0.363 41.672 42.059 -0.040 0.000 0.904 337 L HN 0.286 nan 8.230 nan 0.000 0.435 338 R N -0.048 120.449 120.500 -0.006 0.000 2.073 338 R HA -0.220 4.121 4.340 0.001 0.000 0.234 338 R C 2.361 178.665 176.300 0.006 0.000 1.134 338 R CA 1.709 57.807 56.100 -0.002 0.000 0.952 338 R CB -0.117 30.179 30.300 -0.007 0.000 0.850 338 R HN 0.320 nan 8.270 nan 0.000 0.433 339 R N -0.770 119.735 120.500 0.008 0.000 2.066 339 R HA -0.048 4.293 4.340 0.001 0.000 0.232 339 R C 2.392 178.702 176.300 0.017 0.000 1.131 339 R CA 1.416 57.523 56.100 0.011 0.000 0.955 339 R CB -0.627 29.679 30.300 0.009 0.000 0.851 339 R HN 0.398 nan 8.270 nan 0.000 0.432 340 G N 0.722 109.535 108.800 0.023 0.000 2.475 340 G HA2 -0.239 3.722 3.960 0.001 0.000 0.220 340 G HA3 -0.239 3.722 3.960 0.001 0.000 0.220 340 G C 1.347 176.269 174.900 0.037 0.000 1.125 340 G CA 0.668 45.787 45.100 0.031 0.000 0.755 340 G HN 0.155 nan 8.290 nan 0.000 0.565 341 L N -0.423 120.819 121.223 0.032 0.000 2.095 341 L HA 0.132 4.472 4.340 0.001 0.000 0.204 341 L C 2.810 179.701 176.870 0.034 0.000 1.080 341 L CA 0.304 55.164 54.840 0.033 0.000 0.759 341 L CB -0.283 41.789 42.059 0.022 0.000 0.914 341 L HN 0.168 nan 8.230 nan 0.000 0.439 342 L N -0.531 120.705 121.223 0.022 0.000 2.141 342 L HA -0.194 4.147 4.340 0.001 0.000 0.209 342 L C 2.159 179.041 176.870 0.019 0.000 1.094 342 L CA 0.820 55.671 54.840 0.018 0.000 0.763 342 L CB -0.546 41.519 42.059 0.011 0.000 0.908 342 L HN 0.289 nan 8.230 nan 0.000 0.437 343 D N 0.153 120.564 120.400 0.019 0.000 2.084 343 D HA -0.157 4.484 4.640 0.001 0.000 0.194 343 D C 2.198 178.506 176.300 0.014 0.000 0.990 343 D CA 1.155 55.160 54.000 0.008 0.000 0.826 343 D CB -0.140 40.666 40.800 0.009 0.000 0.971 343 D HN 0.108 nan 8.370 nan 0.000 0.453 344 L N 0.678 121.937 121.223 0.061 0.000 2.127 344 L HA -0.102 4.239 4.340 0.001 0.000 0.211 344 L C 2.402 179.375 176.870 0.172 0.000 1.089 344 L CA 1.105 56.038 54.840 0.154 0.000 0.757 344 L CB -0.591 41.589 42.059 0.201 0.000 0.899 344 L HN 0.093 nan 8.230 nan 0.000 0.434 345 M N -1.232 118.427 119.600 0.099 0.000 2.319 345 M HA -0.173 4.308 4.480 0.001 0.000 0.265 345 M C 1.892 178.217 176.300 0.040 0.000 1.068 345 M CA 1.397 56.749 55.300 0.087 0.000 1.118 345 M CB 0.051 32.681 32.600 0.050 0.000 1.395 345 M HN 0.243 nan 8.290 nan 0.000 0.435 346 E N -0.282 119.917 120.200 -0.001 0.000 2.285 346 E HA -0.115 4.236 4.350 0.001 0.000 0.194 346 E C 1.845 178.383 176.600 -0.102 0.000 0.997 346 E CA 0.680 57.058 56.400 -0.037 0.000 0.845 346 E CB 0.258 29.936 29.700 -0.036 0.000 0.782 346 E HN 0.570 nan 8.360 nan 0.000 0.491 347 R N -0.529 119.853 120.500 -0.196 0.000 2.123 347 R HA 0.115 4.455 4.340 0.001 0.000 0.209 347 R C 0.030 175.999 176.300 -0.552 0.000 1.078 347 R CA 0.334 56.161 56.100 -0.455 0.000 1.028 347 R CB 0.316 30.168 30.300 -0.747 0.000 0.939 347 R HN -0.049 nan 8.270 nan 0.000 0.463 348 F N 0.600 120.551 119.950 0.003 0.000 2.436 348 F HA 0.172 4.699 4.527 0.001 0.000 0.340 348 F C 0.989 176.797 175.800 0.014 0.000 1.113 348 F CA -1.214 56.790 58.000 0.007 0.000 1.022 348 F CB 1.310 40.314 39.000 0.006 0.000 1.128 348 F HN -0.193 nan 8.300 nan 0.000 0.466 349 D N 1.311 121.826 120.400 0.192 0.000 2.277 349 D HA -0.112 4.528 4.640 0.001 0.000 0.208 349 D C 2.024 178.397 176.300 0.122 0.000 0.962 349 D CA 0.748 54.821 54.000 0.120 0.000 0.865 349 D CB 0.075 40.925 40.800 0.085 0.000 0.939 349 D HN 0.603 nan 8.370 nan 0.000 0.510 350 C N -0.127 119.258 119.300 0.142 0.000 2.466 350 C HA 0.195 4.656 4.460 0.001 0.000 0.283 350 C C 1.253 176.304 174.990 0.102 0.000 1.472 350 C CA -0.676 58.404 59.018 0.104 0.000 1.765 350 C CB -1.743 26.042 27.740 0.076 0.000 1.724 350 C HN 0.126 nan 8.230 nan 0.000 0.560 351 I N 2.327 122.967 120.570 0.115 0.000 2.281 351 I HA 0.297 4.468 4.170 0.001 0.000 0.293 351 I C 1.611 177.769 176.117 0.067 0.000 1.085 351 I CA 0.165 61.519 61.300 0.090 0.000 1.257 351 I CB 0.777 38.835 38.000 0.097 0.000 1.430 351 I HN 0.365 nan 8.210 nan 0.000 0.489 352 G N 4.246 113.080 108.800 0.057 0.000 2.453 352 G HA2 -0.072 3.888 3.960 0.001 0.000 0.215 352 G HA3 -0.072 3.888 3.960 0.001 0.000 0.215 352 G C 0.104 174.918 174.900 -0.144 0.000 1.147 352 G CA 0.484 45.628 45.100 0.074 0.000 0.802 352 G HN 0.556 nan 8.290 nan 0.000 0.535 353 D N -1.791 118.426 120.400 -0.306 0.000 2.736 353 D HA 0.460 5.100 4.640 0.001 0.000 0.223 353 D C -1.339 174.836 176.300 -0.209 0.000 1.231 353 D CA -0.405 53.336 54.000 -0.431 0.000 0.818 353 D CB 2.369 42.490 40.800 -1.131 0.000 1.587 353 D HN -0.103 nan 8.370 nan 0.000 0.463 354 V N 3.753 123.587 119.914 -0.133 0.000 2.409 354 V HA 0.628 4.748 4.120 0.001 0.000 0.290 354 V C 0.022 176.084 176.094 -0.053 0.000 1.017 354 V CA -0.518 61.745 62.300 -0.061 0.000 0.841 354 V CB 1.104 32.911 31.823 -0.027 0.000 1.003 354 V HN 0.608 nan 8.190 nan 0.000 0.426 355 R N 3.252 123.729 120.500 -0.039 0.000 3.003 355 R HA 1.014 5.355 4.340 0.001 0.000 0.251 355 R C 0.305 176.598 176.300 -0.011 0.000 1.265 355 R CA -0.270 55.819 56.100 -0.018 0.000 1.026 355 R CB 1.587 31.886 30.300 -0.001 0.000 1.307 355 R HN 1.081 nan 8.270 nan 0.000 0.475 356 G N -0.106 108.690 108.800 -0.007 0.000 2.378 356 G HA2 0.034 3.994 3.960 0.001 0.000 0.198 356 G HA3 0.034 3.994 3.960 0.001 0.000 0.198 356 G C -1.384 173.509 174.900 -0.012 0.000 1.223 356 G CA -0.168 44.924 45.100 -0.013 0.000 1.088 356 G HN 0.805 nan 8.290 nan 0.000 0.530 357 R N -1.027 119.462 120.500 -0.018 0.000 2.728 357 R HA 0.541 4.881 4.340 0.001 0.000 0.259 357 R C 0.932 177.216 176.300 -0.027 0.000 1.057 357 R CA 0.800 56.890 56.100 -0.016 0.000 0.908 357 R CB 0.739 31.034 30.300 -0.007 0.000 1.259 357 R HN 2.809 nan 8.270 nan 0.000 0.472 358 G N 2.473 111.256 108.800 -0.029 0.000 2.651 358 G HA2 -0.343 3.618 3.960 0.001 0.000 0.315 358 G HA3 -0.343 3.618 3.960 0.001 0.000 0.315 358 G C 0.131 174.996 174.900 -0.058 0.000 1.258 358 G CA 0.482 45.557 45.100 -0.040 0.000 1.002 358 G HN 0.485 nan 8.290 nan 0.000 0.551 359 L N 0.147 121.326 121.223 -0.072 0.000 2.912 359 L HA 0.479 4.820 4.340 0.001 0.000 0.240 359 L C 0.155 176.964 176.870 -0.101 0.000 1.262 359 L CA -0.203 54.574 54.840 -0.104 0.000 1.058 359 L CB 0.353 42.337 42.059 -0.124 0.000 1.383 359 L HN 0.339 nan 8.230 nan 0.000 0.512 360 L N 1.212 122.393 121.223 -0.070 0.000 2.457 360 L HA 0.491 4.831 4.340 0.001 0.000 0.252 360 L C -0.801 176.042 176.870 -0.044 0.000 1.132 360 L CA -0.002 54.805 54.840 -0.056 0.000 0.938 360 L CB 0.657 42.694 42.059 -0.037 0.000 1.246 360 L HN -0.023 nan 8.230 nan 0.000 0.476 361 L N 2.157 123.352 121.223 -0.047 0.000 2.322 361 L HA 0.954 5.295 4.340 0.001 0.000 0.269 361 L C 0.443 177.310 176.870 -0.005 0.000 1.012 361 L CA -0.808 54.016 54.840 -0.028 0.000 0.815 361 L CB 2.068 44.107 42.059 -0.032 0.000 1.295 361 L HN 0.575 nan 8.230 nan 0.000 0.438 362 G N 0.287 109.091 108.800 0.006 0.000 2.612 362 G HA2 0.651 4.611 3.960 0.001 0.000 0.298 362 G HA3 0.651 4.611 3.960 0.001 0.000 0.298 362 G C -1.715 173.209 174.900 0.040 0.000 1.336 362 G CA -0.362 44.756 45.100 0.030 0.000 0.953 362 G HN 0.269 nan 8.290 nan 0.000 0.482 363 V N 0.993 120.965 119.914 0.097 0.000 2.524 363 V HA 0.367 4.487 4.120 0.001 0.000 0.297 363 V C -0.306 175.859 176.094 0.119 0.000 1.035 363 V CA -0.778 61.577 62.300 0.093 0.000 0.867 363 V CB 1.537 33.434 31.823 0.124 0.000 1.004 363 V HN 0.889 nan 8.190 nan 0.000 0.426 364 E N 4.982 125.198 120.200 0.027 0.000 2.200 364 E HA 0.413 4.763 4.350 0.001 0.000 0.283 364 E C -0.847 175.798 176.600 0.074 0.000 1.015 364 E CA -0.701 55.725 56.400 0.044 0.000 0.819 364 E CB 0.897 30.612 29.700 0.026 0.000 1.081 364 E HN 0.489 nan 8.360 nan 0.000 0.397 365 I N 5.905 126.532 120.570 0.094 0.000 2.342 365 I HA 0.159 4.329 4.170 0.001 0.000 0.291 365 I C 0.208 176.379 176.117 0.090 0.000 1.010 365 I CA -0.595 60.765 61.300 0.101 0.000 1.308 365 I CB 0.489 38.555 38.000 0.109 0.000 1.400 365 I HN 0.322 nan 8.210 nan 0.000 0.488 366 V N 3.399 123.371 119.914 0.096 0.000 2.864 366 V HA 0.523 4.643 4.120 0.001 0.000 0.314 366 V C 0.912 177.049 176.094 0.071 0.000 1.073 366 V CA -1.023 61.333 62.300 0.093 0.000 0.956 366 V CB 2.117 34.015 31.823 0.125 0.000 1.023 366 V HN 0.763 nan 8.190 nan 0.000 0.435 367 K N 0.766 121.199 120.400 0.054 0.000 2.211 367 K HA -0.031 4.289 4.320 0.001 0.000 0.203 367 K C 0.067 176.694 176.600 0.046 0.000 1.050 367 K CA 1.846 58.159 56.287 0.043 0.000 0.945 367 K CB 0.129 32.647 32.500 0.030 0.000 0.732 367 K HN 0.990 nan 8.250 nan 0.000 0.451 368 D N -1.374 119.055 120.400 0.049 0.000 2.688 368 D HA 0.086 4.727 4.640 0.001 0.000 0.210 368 D C 0.069 176.403 176.300 0.055 0.000 1.333 368 D CA -0.476 53.553 54.000 0.047 0.000 0.920 368 D CB 1.044 41.862 40.800 0.031 0.000 1.554 368 D HN 0.001 nan 8.370 nan 0.000 0.579 369 R N 3.044 123.585 120.500 0.068 0.000 2.139 369 R HA -0.148 4.193 4.340 0.001 0.000 0.243 369 R C 1.705 178.042 176.300 0.062 0.000 1.145 369 R CA 1.499 57.649 56.100 0.084 0.000 0.976 369 R CB 0.136 30.483 30.300 0.079 0.000 0.866 369 R HN 0.431 nan 8.270 nan 0.000 0.449 370 R N -0.968 119.552 120.500 0.034 0.000 2.100 370 R HA -0.009 4.332 4.340 0.001 0.000 0.220 370 R C 1.535 177.830 176.300 -0.009 0.000 1.091 370 R CA 1.662 57.769 56.100 0.012 0.000 0.986 370 R CB 0.135 30.440 30.300 0.008 0.000 0.888 370 R HN 0.207 nan 8.270 nan 0.000 0.444 371 T N 0.425 114.978 114.554 -0.003 0.000 2.985 371 T HA 0.047 4.398 4.350 0.001 0.000 0.266 371 T C 0.362 175.040 174.700 -0.037 0.000 1.076 371 T CA 0.528 62.617 62.100 -0.019 0.000 1.135 371 T CB 0.080 68.945 68.868 -0.006 0.000 0.890 371 T HN 0.268 nan 8.240 nan 0.000 0.480 372 K N 1.099 121.491 120.400 -0.014 0.000 3.088 372 K HA -0.184 4.136 4.320 0.001 0.000 0.273 372 K C -0.060 176.532 176.600 -0.014 0.000 1.111 372 K CA 0.394 56.665 56.287 -0.026 0.000 0.803 372 K CB -1.189 31.191 32.500 -0.200 0.000 1.226 372 K HN 0.554 nan 8.250 nan 0.000 0.485 373 E N 1.514 121.719 120.200 0.007 0.000 2.180 373 E HA 0.140 4.491 4.350 0.001 0.000 0.283 373 E C -2.429 174.190 176.600 0.032 0.000 1.061 373 E CA -2.353 54.052 56.400 0.010 0.000 0.861 373 E CB 0.757 30.461 29.700 0.007 0.000 1.056 373 E HN -0.086 nan 8.360 nan 0.000 0.407 374 P HA -0.118 nan 4.420 nan 0.000 0.264 374 P C -1.318 176.001 177.300 0.032 0.000 1.173 374 P CA 0.324 63.449 63.100 0.043 0.000 0.761 374 P CB 0.587 32.307 31.700 0.034 0.000 0.794 375 A N 2.965 125.805 122.820 0.033 0.000 2.302 375 A HA 0.183 4.504 4.320 0.001 0.000 0.295 375 A C -0.165 177.425 177.584 0.010 0.000 1.235 375 A CA -0.275 51.777 52.037 0.026 0.000 0.876 375 A CB -0.523 18.498 19.000 0.034 0.000 1.133 375 A HN 0.457 nan 8.150 nan 0.000 0.533 376 D N 2.452 122.857 120.400 0.008 0.000 2.346 376 D HA 0.384 5.025 4.640 0.001 0.000 0.267 376 D C 1.488 177.786 176.300 -0.004 0.000 1.320 376 D CA 1.896 55.896 54.000 0.001 0.000 0.951 376 D CB 0.246 41.047 40.800 0.002 0.000 1.079 376 D HN 0.894 nan 8.370 nan 0.000 0.509 377 G N 2.507 111.299 108.800 -0.013 0.000 2.270 377 G HA2 -0.397 3.564 3.960 0.001 0.000 0.268 377 G HA3 -0.397 3.564 3.960 0.001 0.000 0.268 377 G C 1.184 176.079 174.900 -0.009 0.000 0.982 377 G CA 0.668 45.758 45.100 -0.017 0.000 0.628 377 G HN 0.523 nan 8.290 nan 0.000 0.544 378 L N 1.607 122.831 121.223 0.001 0.000 2.043 378 L HA 0.157 4.497 4.340 0.001 0.000 0.212 378 L C 2.715 179.606 176.870 0.036 0.000 1.075 378 L CA 3.266 58.116 54.840 0.017 0.000 0.752 378 L CB -1.143 40.931 42.059 0.024 0.000 0.891 378 L HN 0.378 nan 8.230 nan 0.000 0.432 379 G N -1.032 107.773 108.800 0.007 0.000 2.459 379 G HA2 -0.298 3.663 3.960 0.001 0.000 0.217 379 G HA3 -0.298 3.663 3.960 0.001 0.000 0.217 379 G C 1.620 176.506 174.900 -0.024 0.000 1.183 379 G CA 1.095 46.174 45.100 -0.034 0.000 0.776 379 G HN 0.680 nan 8.290 nan 0.000 0.552 380 A N 0.396 123.184 122.820 -0.054 0.000 1.908 380 A HA -0.048 4.272 4.320 0.001 0.000 0.218 380 A C 2.314 179.916 177.584 0.029 0.000 1.181 380 A CA 2.195 54.215 52.037 -0.028 0.000 0.627 380 A CB -0.415 18.562 19.000 -0.038 0.000 0.818 380 A HN 0.261 nan 8.150 nan 0.000 0.445 381 K N 0.122 120.540 120.400 0.029 0.000 2.063 381 K HA -0.107 4.214 4.320 0.001 0.000 0.208 381 K C 1.744 178.373 176.600 0.048 0.000 1.048 381 K CA 1.766 58.070 56.287 0.027 0.000 0.928 381 K CB -0.493 32.014 32.500 0.013 0.000 0.713 381 K HN 0.616 nan 8.250 nan 0.000 0.442 382 I N 0.335 120.966 120.570 0.102 0.000 2.546 382 I HA -0.181 3.990 4.170 0.001 0.000 0.255 382 I C 1.884 178.088 176.117 0.144 0.000 1.163 382 I CA 1.012 62.371 61.300 0.100 0.000 1.457 382 I CB -0.308 37.769 38.000 0.129 0.000 1.092 382 I HN 0.046 nan 8.210 nan 0.000 0.434 383 T N 0.285 115.014 114.554 0.291 0.000 2.904 383 T HA -0.127 4.224 4.350 0.001 0.000 0.267 383 T C 1.985 176.750 174.700 0.109 0.000 1.059 383 T CA 0.979 63.246 62.100 0.279 0.000 1.137 383 T CB -0.177 68.849 68.868 0.263 0.000 0.879 383 T HN 0.304 nan 8.240 nan 0.000 0.467 384 R N 1.062 121.605 120.500 0.071 0.000 2.073 384 R HA -0.038 4.303 4.340 0.001 0.000 0.229 384 R C 2.209 178.516 176.300 0.012 0.000 1.120 384 R CA 1.099 57.218 56.100 0.032 0.000 0.967 384 R CB 0.015 30.326 30.300 0.018 0.000 0.862 384 R HN 0.152 nan 8.270 nan 0.000 0.436 385 E N 0.155 120.356 120.200 0.002 0.000 2.150 385 E HA -0.168 4.182 4.350 0.001 0.000 0.193 385 E C 2.046 178.623 176.600 -0.038 0.000 0.985 385 E CA 0.966 57.352 56.400 -0.023 0.000 0.814 385 E CB -0.408 29.269 29.700 -0.039 0.000 0.752 385 E HN 0.413 nan 8.360 nan 0.000 0.466 386 C N 0.522 119.797 119.300 -0.042 0.000 2.435 386 C HA -0.061 4.399 4.460 0.001 0.000 0.279 386 C C 2.701 177.661 174.990 -0.050 0.000 1.321 386 C CA 0.609 59.583 59.018 -0.073 0.000 1.752 386 C CB -0.686 26.999 27.740 -0.093 0.000 1.959 386 C HN 0.364 nan 8.230 nan 0.000 0.500 387 M N 1.659 121.250 119.600 -0.015 0.000 2.156 387 M HA -0.030 4.450 4.480 0.001 0.000 0.264 387 M C 1.869 178.164 176.300 -0.010 0.000 1.067 387 M CA 1.648 56.945 55.300 -0.004 0.000 1.131 387 M CB -0.984 31.627 32.600 0.019 0.000 1.368 387 M HN 0.289 nan 8.290 nan 0.000 0.416 388 N N 0.288 118.981 118.700 -0.011 0.000 2.149 388 N HA -0.127 4.613 4.740 0.001 0.000 0.188 388 N C 1.640 177.139 175.510 -0.018 0.000 1.019 388 N CA 1.513 54.556 53.050 -0.012 0.000 0.857 388 N CB -0.515 37.963 38.487 -0.014 0.000 0.997 388 N HN 0.420 nan 8.380 nan 0.000 0.426 389 L N -0.150 121.054 121.223 -0.031 0.000 2.610 389 L HA 0.074 4.414 4.340 0.001 0.000 0.232 389 L C 1.184 178.031 176.870 -0.037 0.000 1.149 389 L CA 0.376 55.193 54.840 -0.038 0.000 0.872 389 L CB -0.371 41.653 42.059 -0.057 0.000 0.992 389 L HN 0.239 nan 8.230 nan 0.000 0.447 390 G N 0.519 109.300 108.800 -0.032 0.000 2.132 390 G HA2 -0.229 3.732 3.960 0.001 0.000 0.228 390 G HA3 -0.229 3.732 3.960 0.001 0.000 0.228 390 G C -0.118 174.750 174.900 -0.053 0.000 1.000 390 G CA -0.082 45.005 45.100 -0.022 0.000 0.693 390 G HN 0.172 nan 8.290 nan 0.000 0.515 391 L N 1.476 122.640 121.223 -0.098 0.000 2.345 391 L HA 0.746 5.087 4.340 0.001 0.000 0.274 391 L C 0.191 176.991 176.870 -0.117 0.000 0.999 391 L CA -0.275 54.455 54.840 -0.184 0.000 0.849 391 L CB 1.145 43.029 42.059 -0.292 0.000 1.220 391 L HN 0.169 nan 8.230 nan 0.000 0.422 392 S N 6.261 121.921 115.700 -0.066 0.000 2.488 392 S HA 0.480 4.951 4.470 0.001 0.000 0.278 392 S C 0.173 174.810 174.600 0.062 0.000 1.259 392 S CA -0.357 57.850 58.200 0.012 0.000 1.061 392 S CB 0.105 63.328 63.200 0.037 0.000 0.910 392 S HN 0.647 nan 8.310 nan 0.000 0.491 393 M N 3.949 123.605 119.600 0.092 0.000 2.852 393 M HA 0.468 4.949 4.480 0.001 0.000 0.301 393 M C -0.183 176.222 176.300 0.175 0.000 1.229 393 M CA -0.720 54.684 55.300 0.172 0.000 0.832 393 M CB 1.580 34.318 32.600 0.229 0.000 1.726 393 M HN 0.755 nan 8.290 nan 0.000 0.497 394 N N 0.601 119.430 118.700 0.215 0.000 2.478 394 N HA 0.480 5.221 4.740 0.001 0.000 0.291 394 N C -2.200 173.326 175.510 0.027 0.000 1.090 394 N CA -0.253 52.852 53.050 0.092 0.000 0.911 394 N CB 2.393 40.909 38.487 0.047 0.000 1.546 394 N HN 0.674 nan 8.380 nan 0.000 0.500 395 I N 4.183 124.670 120.570 -0.138 0.000 2.436 395 I HA 0.392 4.562 4.170 0.001 0.000 0.289 395 I C -0.664 175.307 176.117 -0.243 0.000 1.010 395 I CA -0.821 60.264 61.300 -0.358 0.000 1.098 395 I CB 1.542 39.097 38.000 -0.740 0.000 1.266 395 I HN 0.306 nan 8.210 nan 0.000 0.434 396 V N 4.234 124.020 119.914 -0.213 0.000 2.427 396 V HA 0.574 4.695 4.120 0.001 0.000 0.286 396 V C -0.643 175.363 176.094 -0.148 0.000 1.034 396 V CA -0.476 61.724 62.300 -0.165 0.000 0.893 396 V CB 1.456 33.190 31.823 -0.149 0.000 0.982 396 V HN 0.839 nan 8.190 nan 0.000 0.452 397 Q N 4.157 123.886 119.800 -0.118 0.000 2.394 397 Q HA 0.689 5.030 4.340 0.001 0.000 0.259 397 Q C -1.466 174.502 176.000 -0.053 0.000 1.021 397 Q CA -0.214 55.538 55.803 -0.086 0.000 0.805 397 Q CB 1.214 29.903 28.738 -0.081 0.000 1.226 397 Q HN 0.895 nan 8.270 nan 0.000 0.476 398 L N 5.750 126.952 121.223 -0.035 0.000 2.334 398 L HA 0.703 5.043 4.340 0.001 0.000 0.272 398 L C -2.066 174.811 176.870 0.012 0.000 1.020 398 L CA -1.928 52.904 54.840 -0.013 0.000 0.812 398 L CB 1.215 43.261 42.059 -0.022 0.000 1.264 398 L HN 0.600 nan 8.230 nan 0.000 0.439 399 P HA 0.126 nan 4.420 nan 0.000 0.272 399 P C 0.663 177.993 177.300 0.050 0.000 1.223 399 P CA 0.301 63.420 63.100 0.032 0.000 0.784 399 P CB 0.924 32.645 31.700 0.033 0.000 0.923 400 G N 0.975 109.803 108.800 0.046 0.000 2.196 400 G HA2 -0.300 3.660 3.960 0.001 0.000 0.268 400 G HA3 -0.300 3.660 3.960 0.001 0.000 0.268 400 G C 0.069 175.018 174.900 0.082 0.000 0.975 400 G CA 0.738 45.870 45.100 0.053 0.000 0.648 400 G HN 0.669 nan 8.290 nan 0.000 0.538 401 M N 0.284 119.942 119.600 0.097 0.000 2.591 401 M HA 0.627 5.108 4.480 0.001 0.000 0.306 401 M C 0.807 177.167 176.300 0.101 0.000 1.190 401 M CA -0.063 55.329 55.300 0.152 0.000 0.889 401 M CB 1.601 34.312 32.600 0.185 0.000 1.728 401 M HN 0.239 nan 8.290 nan 0.000 0.458 402 G N 0.970 109.846 108.800 0.128 0.000 2.621 402 G HA2 0.495 4.456 3.960 0.001 0.000 0.271 402 G HA3 0.495 4.456 3.960 0.001 0.000 0.271 402 G C -0.099 174.819 174.900 0.030 0.000 1.236 402 G CA -0.522 44.625 45.100 0.078 0.000 0.958 402 G HN 0.892 nan 8.290 nan 0.000 0.512 403 G N -1.715 107.072 108.800 -0.021 0.000 2.398 403 G HA2 0.429 4.390 3.960 0.001 0.000 0.246 403 G HA3 0.429 4.390 3.960 0.001 0.000 0.246 403 G C -0.558 174.266 174.900 -0.128 0.000 1.289 403 G CA -0.088 44.945 45.100 -0.112 0.000 0.869 403 G HN 0.639 nan 8.290 nan 0.000 0.543 404 V N 2.699 122.506 119.914 -0.178 0.000 2.487 404 V HA 0.369 4.489 4.120 0.001 0.000 0.298 404 V C -0.726 175.243 176.094 -0.208 0.000 1.028 404 V CA -0.784 61.443 62.300 -0.123 0.000 0.860 404 V CB 1.482 33.273 31.823 -0.052 0.000 0.991 404 V HN 0.578 nan 8.190 nan 0.000 0.427 405 F N 3.916 123.856 119.950 -0.018 0.000 2.420 405 F HA 0.493 5.021 4.527 0.001 0.000 0.352 405 F C 1.065 176.853 175.800 -0.020 0.000 1.108 405 F CA -0.294 57.697 58.000 -0.015 0.000 1.162 405 F CB 0.906 39.904 39.000 -0.002 0.000 1.118 405 F HN 0.286 nan 8.300 nan 0.000 0.510 406 R N 5.461 126.047 120.500 0.143 0.000 2.204 406 R HA 0.470 4.811 4.340 0.001 0.000 0.341 406 R C -0.898 175.456 176.300 0.089 0.000 1.035 406 R CA -0.388 55.752 56.100 0.067 0.000 0.887 406 R CB 0.826 31.126 30.300 0.000 0.000 1.114 406 R HN 0.585 nan 8.270 nan 0.000 0.473 407 I N 2.279 122.884 120.570 0.058 0.000 2.312 407 I HA 0.374 4.545 4.170 0.001 0.000 0.290 407 I C 0.056 176.110 176.117 -0.106 0.000 1.008 407 I CA -0.441 60.865 61.300 0.011 0.000 1.226 407 I CB 1.740 39.752 38.000 0.020 0.000 1.371 407 I HN 0.593 nan 8.210 nan 0.000 0.468 408 A N 8.121 130.850 122.820 -0.152 0.000 2.876 408 A HA 0.661 4.981 4.320 0.001 0.000 0.309 408 A C -2.822 174.606 177.584 -0.260 0.000 1.168 408 A CA -1.254 50.671 52.037 -0.188 0.000 0.762 408 A CB 0.508 19.447 19.000 -0.102 0.000 1.262 408 A HN 0.326 nan 8.150 nan 0.000 0.435 409 P HA 0.411 nan 4.420 nan 0.000 0.277 409 P C -2.658 174.503 177.300 -0.232 0.000 1.271 409 P CA -1.297 61.540 63.100 -0.438 0.000 0.795 409 P CB 0.164 31.442 31.700 -0.704 0.000 1.101 410 P HA 0.152 nan 4.420 nan 0.000 0.272 410 P C 0.577 177.816 177.300 -0.101 0.000 1.240 410 P CA 0.052 63.081 63.100 -0.119 0.000 0.791 410 P CB 0.275 31.921 31.700 -0.090 0.000 0.978 411 L N 0.455 121.630 121.223 -0.079 0.000 2.551 411 L HA -0.045 4.295 4.340 0.001 0.000 0.228 411 L C 1.486 178.335 176.870 -0.035 0.000 1.153 411 L CA 1.321 56.122 54.840 -0.065 0.000 0.851 411 L CB -1.042 40.978 42.059 -0.065 0.000 0.959 411 L HN 0.487 nan 8.230 nan 0.000 0.451 412 T N -3.949 110.596 114.554 -0.015 0.000 3.186 412 T HA 0.151 4.502 4.350 0.001 0.000 0.257 412 T C 0.423 175.135 174.700 0.020 0.000 1.029 412 T CA -0.260 61.855 62.100 0.024 0.000 0.916 412 T CB -0.085 68.832 68.868 0.081 0.000 1.041 412 T HN -0.009 nan 8.240 nan 0.000 0.562 413 V N 3.690 123.596 119.914 -0.012 0.000 2.655 413 V HA 0.455 4.576 4.120 0.001 0.000 0.300 413 V C 0.543 176.650 176.094 0.023 0.000 1.044 413 V CA -0.390 61.907 62.300 -0.004 0.000 1.095 413 V CB 0.631 32.421 31.823 -0.055 0.000 0.952 413 V HN 0.770 nan 8.190 nan 0.000 0.485 414 S N 4.409 120.143 115.700 0.057 0.000 2.601 414 S HA 0.315 4.785 4.470 0.001 0.000 0.271 414 S C 0.880 175.517 174.600 0.063 0.000 1.305 414 S CA -0.125 58.112 58.200 0.063 0.000 1.022 414 S CB 1.200 64.452 63.200 0.087 0.000 0.940 414 S HN 0.824 nan 8.310 nan 0.000 0.525 415 E N 1.074 121.304 120.200 0.051 0.000 2.130 415 E HA -0.209 4.141 4.350 0.001 0.000 0.196 415 E C 1.008 177.646 176.600 0.064 0.000 0.998 415 E CA 1.743 58.172 56.400 0.048 0.000 0.806 415 E CB -0.185 29.537 29.700 0.037 0.000 0.738 415 E HN 0.699 nan 8.360 nan 0.000 0.459 416 D N 0.557 121.001 120.400 0.073 0.000 2.149 416 D HA -0.112 4.529 4.640 0.001 0.000 0.201 416 D C 1.744 178.110 176.300 0.110 0.000 0.972 416 D CA 0.838 54.887 54.000 0.081 0.000 0.835 416 D CB -0.140 40.708 40.800 0.079 0.000 0.966 416 D HN 0.279 nan 8.370 nan 0.000 0.476 417 E N 0.331 120.614 120.200 0.138 0.000 2.110 417 E HA -0.119 4.232 4.350 0.001 0.000 0.193 417 E C 2.140 178.856 176.600 0.193 0.000 0.988 417 E CA 0.342 56.844 56.400 0.170 0.000 0.804 417 E CB 0.146 29.940 29.700 0.157 0.000 0.745 417 E HN 0.211 nan 8.360 nan 0.000 0.458 418 I N 1.889 122.566 120.570 0.179 0.000 2.179 418 I HA -0.240 3.931 4.170 0.001 0.000 0.242 418 I C 1.759 177.985 176.117 0.181 0.000 1.088 418 I CA 1.410 62.845 61.300 0.226 0.000 1.357 418 I CB -0.955 37.107 38.000 0.104 0.000 1.051 418 I HN 0.095 nan 8.210 nan 0.000 0.409 419 D N 0.722 121.186 120.400 0.107 0.000 2.084 419 D HA -0.179 4.461 4.640 0.001 0.000 0.194 419 D C 2.168 178.497 176.300 0.047 0.000 0.990 419 D CA 0.931 54.973 54.000 0.070 0.000 0.826 419 D CB -0.512 40.321 40.800 0.054 0.000 0.971 419 D HN 0.176 nan 8.370 nan 0.000 0.453 420 L N 1.212 122.464 121.223 0.048 0.000 2.021 420 L HA -0.115 4.225 4.340 0.001 0.000 0.215 420 L C 2.155 178.978 176.870 -0.078 0.000 1.074 420 L CA 2.482 57.328 54.840 0.010 0.000 0.760 420 L CB -1.098 40.994 42.059 0.056 0.000 0.889 420 L HN 0.072 nan 8.230 nan 0.000 0.433 421 G N -0.438 108.271 108.800 -0.150 0.000 2.459 421 G HA2 -0.261 3.700 3.960 0.001 0.000 0.217 421 G HA3 -0.261 3.700 3.960 0.001 0.000 0.217 421 G C 1.635 176.410 174.900 -0.208 0.000 1.183 421 G CA 1.094 45.921 45.100 -0.455 0.000 0.776 421 G HN 0.465 nan 8.290 nan 0.000 0.552 422 L N 0.731 121.943 121.223 -0.018 0.000 2.043 422 L HA -0.164 4.176 4.340 0.001 0.000 0.212 422 L C 3.159 180.018 176.870 -0.020 0.000 1.075 422 L CA 1.552 56.399 54.840 0.013 0.000 0.752 422 L CB -0.458 41.633 42.059 0.053 0.000 0.891 422 L HN 0.402 nan 8.230 nan 0.000 0.432 423 S N 0.116 115.802 115.700 -0.022 0.000 2.343 423 S HA -0.173 4.298 4.470 0.001 0.000 0.219 423 S C 2.038 176.612 174.600 -0.045 0.000 1.033 423 S CA 1.264 59.454 58.200 -0.017 0.000 1.014 423 S CB -0.330 62.864 63.200 -0.010 0.000 0.915 423 S HN 0.317 nan 8.310 nan 0.000 0.435 424 L N 1.422 122.594 121.223 -0.086 0.000 2.043 424 L HA -0.117 4.224 4.340 0.001 0.000 0.212 424 L C 2.697 179.489 176.870 -0.130 0.000 1.075 424 L CA 1.260 56.034 54.840 -0.110 0.000 0.752 424 L CB -0.688 41.277 42.059 -0.156 0.000 0.891 424 L HN 0.409 nan 8.230 nan 0.000 0.432 425 L N 0.296 121.425 121.223 -0.158 0.000 2.046 425 L HA -0.127 4.214 4.340 0.001 0.000 0.208 425 L C 2.373 179.147 176.870 -0.160 0.000 1.077 425 L CA 2.265 56.991 54.840 -0.189 0.000 0.747 425 L CB -1.412 40.532 42.059 -0.191 0.000 0.896 425 L HN 0.287 nan 8.230 nan 0.000 0.432 426 G N -0.746 108.013 108.800 -0.068 0.000 2.418 426 G HA2 -0.285 3.675 3.960 0.001 0.000 0.217 426 G HA3 -0.285 3.675 3.960 0.001 0.000 0.217 426 G C 1.410 176.289 174.900 -0.036 0.000 1.158 426 G CA 0.562 45.671 45.100 0.014 0.000 0.771 426 G HN 0.532 nan 8.290 nan 0.000 0.545 427 Q N 0.238 120.019 119.800 -0.031 0.000 2.084 427 Q HA -0.010 4.331 4.340 0.001 0.000 0.202 427 Q C 3.028 178.977 176.000 -0.085 0.000 0.978 427 Q CA 1.131 56.916 55.803 -0.031 0.000 0.844 427 Q CB -0.289 28.433 28.738 -0.026 0.000 0.898 427 Q HN 0.473 nan 8.270 nan 0.000 0.426 428 A N 1.160 123.906 122.820 -0.123 0.000 1.908 428 A HA -0.202 4.118 4.320 0.001 0.000 0.218 428 A C 2.043 179.515 177.584 -0.188 0.000 1.181 428 A CA 1.342 53.296 52.037 -0.139 0.000 0.627 428 A CB -0.672 18.232 19.000 -0.161 0.000 0.818 428 A HN 0.315 nan 8.150 nan 0.000 0.445 429 I N -0.597 119.784 120.570 -0.316 0.000 2.252 429 I HA -0.230 3.940 4.170 0.001 0.000 0.245 429 I C 2.485 178.348 176.117 -0.425 0.000 1.102 429 I CA 1.399 62.406 61.300 -0.488 0.000 1.385 429 I CB -0.524 36.885 38.000 -0.986 0.000 1.064 429 I HN 0.441 nan 8.210 nan 0.000 0.414 430 E N 1.211 121.229 120.200 -0.304 0.000 2.058 430 E HA -0.257 4.094 4.350 0.001 0.000 0.194 430 E C 2.126 178.708 176.600 -0.030 0.000 0.997 430 E CA 1.486 57.860 56.400 -0.043 0.000 0.801 430 E CB -0.225 29.531 29.700 0.094 0.000 0.746 430 E HN 0.580 nan 8.360 nan 0.000 0.450 431 R N 0.391 120.863 120.500 -0.047 0.000 2.299 431 R HA 0.215 4.555 4.340 0.001 0.000 0.197 431 R C 1.866 178.144 176.300 -0.037 0.000 0.971 431 R CA 0.779 56.862 56.100 -0.028 0.000 1.030 431 R CB 0.100 30.386 30.300 -0.024 0.000 0.932 431 R HN 0.029 nan 8.270 nan 0.000 0.477 432 A N 1.591 124.371 122.820 -0.066 0.000 1.984 432 A HA 0.223 4.543 4.320 0.001 0.000 0.214 432 A C 1.195 178.756 177.584 -0.037 0.000 1.173 432 A CA 0.112 52.117 52.037 -0.053 0.000 0.673 432 A CB -0.018 18.939 19.000 -0.073 0.000 0.830 432 A HN 0.181 nan 8.150 nan 0.000 0.453 433 L N 0.000 121.198 121.223 -0.042 0.000 2.949 433 L HA 0.000 4.341 4.340 0.001 0.000 0.249 433 L CA 0.000 54.835 54.840 -0.008 0.000 0.813 433 L CB 0.000 42.068 42.059 0.015 0.000 0.961 433 L HN 0.000 nan 8.230 nan 0.000 0.502