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 3mhm_1_A DATA FIRST_RESID 4 DATA SEQUENCE HWGYGKHNGP EHWHKDFPIA KGERQSPVDI DTHTAKYDPS LKPLSVSYDQ DATA SEQUENCE ATSLRILNNG HAFNVEFDDS QDKAVLKGGP LDGTYRLIQF HFHWGSLDGQ DATA SEQUENCE GSEHTVDKKK YAAELHLVHW NTXKYGDFGK AVQQPDGLAV LGIFLKVGSA DATA SEQUENCE KPGLQKVVDV LDSIKTKGKS ADFTNFDPRG LLPESLDYWT YPGSLTTPPL DATA SEQUENCE LECVTWIVLK EPISVSSEQV LKFRKLNFNG EGEPEELMVD NWRPAQPLKN DATA SEQUENCE RQIKASFK 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 4 H HA 0.000 4.556 4.556 0.000 0.000 0.296 4 H C 0.000 175.318 175.328 -0.017 0.000 0.993 4 H CA 0.000 56.033 56.048 -0.025 0.000 1.023 4 H CB 0.000 29.793 29.762 0.051 0.000 1.292 5 W N 3.097 124.392 121.300 -0.008 0.000 2.112 5 W HA 0.487 5.166 4.660 0.031 0.000 0.349 5 W C -0.096 176.307 176.519 -0.194 0.000 1.289 5 W CA 0.713 58.003 57.345 -0.091 0.000 1.256 5 W CB 0.083 29.351 29.460 -0.321 0.000 1.148 5 W HN 0.446 8.626 8.180 0.000 0.000 0.590 6 G N 1.006 109.879 108.800 0.121 0.000 2.529 6 G HA2 0.270 4.225 3.960 -0.009 0.000 0.238 6 G HA3 0.270 4.225 3.960 -0.009 0.000 0.238 6 G C -1.542 173.276 174.900 -0.136 0.000 1.207 6 G CA -0.617 44.327 45.100 -0.260 0.000 0.928 6 G HN 0.445 8.735 8.290 0.000 0.000 0.495 7 Y N 1.053 121.294 120.300 -0.098 0.000 2.481 7 Y HA 0.423 4.960 4.550 -0.022 0.000 0.247 7 Y C 1.856 177.683 175.900 -0.122 0.000 1.151 7 Y CA -0.025 58.039 58.100 -0.060 0.000 1.238 7 Y CB 0.820 39.230 38.460 -0.084 0.000 1.179 7 Y HN 0.638 8.918 8.280 0.000 0.000 0.524 8 G N 0.226 109.007 108.800 -0.032 0.000 2.611 8 G HA2 0.022 3.977 3.960 -0.009 0.000 0.273 8 G HA3 0.022 3.977 3.960 -0.009 0.000 0.273 8 G C 1.002 175.867 174.900 -0.058 0.000 1.305 8 G CA -0.322 44.755 45.100 -0.039 0.000 1.010 8 G HN 0.203 8.493 8.290 0.000 0.000 0.509 9 K N -1.214 119.126 120.400 -0.100 0.000 2.074 9 K HA -0.156 4.159 4.320 -0.009 0.000 0.209 9 K C 1.691 178.119 176.600 -0.287 0.000 1.048 9 K CA 1.629 57.778 56.287 -0.230 0.000 0.926 9 K CB -0.122 32.125 32.500 -0.421 0.000 0.713 9 K HN 0.627 8.877 8.250 0.000 0.000 0.444 10 H N -1.455 117.540 119.070 -0.125 0.000 2.622 10 H HA 0.077 4.627 4.556 -0.011 0.000 0.269 10 H C 0.413 175.326 175.328 -0.692 0.000 0.977 10 H CA 0.615 56.428 56.048 -0.392 0.000 1.179 10 H CB 0.536 30.166 29.762 -0.221 0.000 1.458 10 H HN 0.417 8.697 8.280 0.000 0.000 0.531 11 N N 0.133 118.686 118.700 -0.245 0.000 2.167 11 N HA 0.070 4.805 4.740 -0.009 0.000 0.234 11 N C 0.784 176.393 175.510 0.166 0.000 1.312 11 N CA -0.008 52.977 53.050 -0.107 0.000 0.861 11 N CB 0.038 38.412 38.487 -0.189 0.000 1.217 11 N HN 0.046 8.426 8.380 0.000 0.000 0.504 12 G N 1.164 110.019 108.800 0.092 0.000 2.508 12 G HA2 0.326 4.281 3.960 -0.009 0.000 0.278 12 G HA3 0.326 4.281 3.960 -0.009 0.000 0.278 12 G C -1.518 173.007 174.900 -0.625 0.000 1.389 12 G CA -1.199 43.844 45.100 -0.095 0.000 1.050 12 G HN -0.087 8.203 8.290 0.000 0.000 0.522 13 P HA -0.149 4.271 4.420 0.000 0.000 0.217 13 P C 1.781 178.552 177.300 -0.882 0.000 1.151 13 P CA 1.664 63.672 63.100 -1.820 0.000 0.849 13 P CB 0.133 31.133 31.700 -1.168 0.000 0.787 14 E N -1.427 118.482 120.200 -0.486 0.000 2.418 14 E HA -0.203 4.142 4.350 -0.009 0.000 0.197 14 E C 1.262 177.733 176.600 -0.215 0.000 1.026 14 E CA 1.223 57.439 56.400 -0.306 0.000 0.862 14 E CB -1.041 28.472 29.700 -0.312 0.000 0.799 14 E HN 0.473 8.833 8.360 0.000 0.000 0.518 15 H N -1.315 117.728 119.070 -0.045 0.000 2.562 15 H HA 0.042 4.594 4.556 -0.007 0.000 0.267 15 H C 1.055 176.513 175.328 0.217 0.000 0.959 15 H CA 0.270 56.379 56.048 0.101 0.000 1.204 15 H CB 0.016 29.856 29.762 0.131 0.000 1.430 15 H HN 0.222 8.502 8.280 0.000 0.000 0.545 16 W N 1.867 123.268 121.300 0.168 0.000 2.374 16 W HA -0.123 4.533 4.660 -0.007 0.000 0.288 16 W C 2.397 179.008 176.519 0.153 0.000 1.218 16 W CA 1.289 58.732 57.345 0.164 0.000 1.245 16 W CB -1.111 28.372 29.460 0.039 0.000 1.126 16 W HN 0.571 8.751 8.180 0.000 0.000 0.545 17 H N -0.861 118.390 119.070 0.301 0.000 2.456 17 H HA -0.040 4.511 4.556 -0.008 0.000 0.296 17 H C 1.805 177.204 175.328 0.119 0.000 1.079 17 H CA 1.836 57.994 56.048 0.183 0.000 1.322 17 H CB -0.593 29.225 29.762 0.094 0.000 1.388 17 H HN 0.024 8.304 8.280 0.000 0.000 0.538 18 K N 0.101 120.160 120.400 -0.569 0.000 2.057 18 K HA -0.105 4.210 4.320 -0.009 0.000 0.206 18 K C 1.275 177.744 176.600 -0.218 0.000 1.050 18 K CA 1.457 57.516 56.287 -0.380 0.000 0.935 18 K CB 0.128 32.451 32.500 -0.294 0.000 0.715 18 K HN 0.335 8.585 8.250 0.000 0.000 0.439 19 D N -0.701 119.567 120.400 -0.221 0.000 2.271 19 D HA 0.013 4.648 4.640 -0.009 0.000 0.206 19 D C -0.250 175.496 176.300 -0.924 0.000 0.967 19 D CA 0.807 54.468 54.000 -0.564 0.000 0.867 19 D CB 0.377 40.757 40.800 -0.701 0.000 0.960 19 D HN 0.035 8.405 8.370 0.000 0.000 0.509 20 F N -0.036 119.899 119.950 -0.025 0.000 2.622 20 F HA 0.286 4.807 4.527 -0.010 0.000 0.338 20 F C -1.780 174.039 175.800 0.032 0.000 1.334 20 F CA -1.957 56.025 58.000 -0.029 0.000 1.179 20 F CB 1.766 40.707 39.000 -0.099 0.000 1.471 20 F HN -0.220 8.080 8.300 0.000 0.000 0.576 21 P HA -0.195 4.225 4.420 0.000 0.000 0.222 21 P C 1.993 179.378 177.300 0.142 0.000 1.142 21 P CA 1.271 64.451 63.100 0.132 0.000 0.788 21 P CB 0.421 32.163 31.700 0.071 0.000 0.767 22 I N -0.934 119.720 120.570 0.140 0.000 2.850 22 I HA -0.211 3.954 4.170 -0.009 0.000 0.266 22 I C 1.820 178.009 176.117 0.121 0.000 1.257 22 I CA 0.590 61.958 61.300 0.112 0.000 1.465 22 I CB -0.167 37.890 38.000 0.095 0.000 1.091 22 I HN -0.090 8.120 8.210 0.000 0.000 0.467 23 A N 0.535 123.457 122.820 0.170 0.000 2.024 23 A HA -0.197 4.118 4.320 -0.009 0.000 0.220 23 A C 1.919 179.571 177.584 0.114 0.000 1.164 23 A CA 1.323 53.465 52.037 0.175 0.000 0.643 23 A CB -0.296 18.869 19.000 0.274 0.000 0.806 23 A HN 0.451 8.601 8.150 0.000 0.000 0.451 24 K N 0.074 120.529 120.400 0.093 0.000 2.570 24 K HA 0.247 4.562 4.320 -0.009 0.000 0.210 24 K C 0.852 177.475 176.600 0.039 0.000 1.048 24 K CA 0.059 56.369 56.287 0.037 0.000 1.167 24 K CB 0.470 32.970 32.500 0.000 0.000 0.892 24 K HN 0.392 8.642 8.250 0.000 0.000 0.480 25 G N 0.733 109.567 108.800 0.057 0.000 2.535 25 G HA2 0.001 3.956 3.960 -0.009 0.000 0.282 25 G HA3 0.001 3.956 3.960 -0.009 0.000 0.282 25 G C 0.499 175.429 174.900 0.051 0.000 1.350 25 G CA -0.361 44.771 45.100 0.053 0.000 1.039 25 G HN 0.076 8.366 8.290 0.000 0.000 0.509 26 E N -0.600 119.632 120.200 0.053 0.000 2.442 26 E HA -0.003 4.342 4.350 -0.009 0.000 0.195 26 E C 1.211 177.856 176.600 0.076 0.000 1.030 26 E CA 0.306 56.739 56.400 0.054 0.000 0.869 26 E CB 0.301 30.030 29.700 0.048 0.000 0.857 26 E HN 0.631 8.991 8.360 0.000 0.000 0.505 27 R N 0.396 120.953 120.500 0.096 0.000 2.638 27 R HA 0.264 4.599 4.340 -0.009 0.000 0.269 27 R C -0.192 176.210 176.300 0.169 0.000 1.393 27 R CA -0.409 55.776 56.100 0.142 0.000 1.531 27 R CB 0.324 30.710 30.300 0.144 0.000 1.327 27 R HN -0.239 8.031 8.270 0.000 0.000 0.709 28 Q N 0.869 120.753 119.800 0.139 0.000 2.260 28 Q HA 0.424 4.759 4.340 -0.009 0.000 0.242 28 Q C -0.444 175.648 176.000 0.153 0.000 0.932 28 Q CA -0.199 55.685 55.803 0.135 0.000 0.891 28 Q CB 2.149 30.940 28.738 0.089 0.000 1.222 28 Q HN 0.371 8.641 8.270 0.000 0.000 0.453 29 S N 1.793 117.578 115.700 0.140 0.000 2.634 29 S HA 0.658 5.123 4.470 -0.009 0.000 0.296 29 S C -2.357 172.205 174.600 -0.063 0.000 1.104 29 S CA -1.124 57.095 58.200 0.031 0.000 0.920 29 S CB 2.068 65.289 63.200 0.035 0.000 1.111 29 S HN 0.451 8.761 8.310 0.000 0.000 0.493 30 P HA 0.466 4.886 4.420 0.000 0.000 0.289 30 P C -0.976 176.118 177.300 -0.344 0.000 1.299 30 P CA -0.384 62.327 63.100 -0.648 0.000 0.766 30 P CB 0.468 31.642 31.700 -0.878 0.000 1.226 31 V N -4.517 115.183 119.914 -0.356 0.000 3.078 31 V HA 0.529 4.644 4.120 -0.009 0.000 0.311 31 V C -0.771 175.230 176.094 -0.155 0.000 1.138 31 V CA -1.121 61.034 62.300 -0.243 0.000 1.007 31 V CB 1.458 33.045 31.823 -0.394 0.000 1.045 31 V HN 0.408 8.598 8.190 0.000 0.000 0.432 32 D N 1.217 121.532 120.400 -0.140 0.000 2.351 32 D HA 0.395 5.030 4.640 -0.009 0.000 0.251 32 D C -0.314 175.876 176.300 -0.184 0.000 1.137 32 D CA 0.032 53.961 54.000 -0.120 0.000 0.879 32 D CB 0.810 41.549 40.800 -0.101 0.000 1.181 32 D HN 0.637 9.007 8.370 0.000 0.000 0.448 33 I N 3.685 124.122 120.570 -0.223 0.000 2.287 33 I HA 0.106 4.271 4.170 -0.009 0.000 0.290 33 I C 0.291 176.201 176.117 -0.345 0.000 1.069 33 I CA -0.444 60.625 61.300 -0.385 0.000 1.237 33 I CB 0.862 38.455 38.000 -0.678 0.000 1.418 33 I HN 0.353 8.563 8.210 0.000 0.000 0.481 34 D N 5.734 125.989 120.400 -0.243 0.000 2.374 34 D HA 0.011 4.646 4.640 -0.009 0.000 0.240 34 D C 1.375 177.583 176.300 -0.153 0.000 1.229 34 D CA -0.042 53.870 54.000 -0.146 0.000 0.895 34 D CB 1.254 42.009 40.800 -0.074 0.000 1.046 34 D HN 0.654 9.024 8.370 0.000 0.000 0.498 35 T N 1.001 115.450 114.554 -0.175 0.000 2.962 35 T HA -0.143 4.202 4.350 -0.009 0.000 0.270 35 T C 1.444 176.046 174.700 -0.163 0.000 1.088 35 T CA 1.060 63.077 62.100 -0.140 0.000 1.127 35 T CB -0.254 68.559 68.868 -0.090 0.000 0.883 35 T HN 0.477 8.717 8.240 0.000 0.000 0.493 36 H N 0.413 119.503 119.070 0.033 0.000 2.436 36 H HA 0.164 4.715 4.556 -0.008 0.000 0.294 36 H C 2.261 177.601 175.328 0.020 0.000 1.048 36 H CA 1.486 57.553 56.048 0.032 0.000 1.353 36 H CB 0.090 29.863 29.762 0.019 0.000 1.414 36 H HN 0.322 8.602 8.280 0.000 0.000 0.536 37 T N 0.113 114.717 114.554 0.083 0.000 3.067 37 T HA 0.206 4.551 4.350 -0.009 0.000 0.257 37 T C 0.972 175.691 174.700 0.031 0.000 1.105 37 T CA 0.395 62.523 62.100 0.046 0.000 1.104 37 T CB -0.143 68.737 68.868 0.019 0.000 0.925 37 T HN 0.344 8.584 8.240 0.000 0.000 0.498 38 A N 1.884 124.721 122.820 0.027 0.000 2.462 38 A HA 0.459 4.774 4.320 -0.009 0.000 0.243 38 A C 0.254 177.879 177.584 0.067 0.000 1.076 38 A CA -0.247 51.827 52.037 0.062 0.000 0.773 38 A CB 0.160 19.241 19.000 0.134 0.000 1.010 38 A HN 0.199 8.349 8.150 0.000 0.000 0.493 39 K N 2.119 122.558 120.400 0.065 0.000 2.234 39 K HA 0.337 4.652 4.320 -0.009 0.000 0.277 39 K C -0.820 175.806 176.600 0.042 0.000 1.038 39 K CA -0.430 55.887 56.287 0.049 0.000 0.888 39 K CB 0.242 32.761 32.500 0.032 0.000 1.091 39 K HN 0.564 8.814 8.250 0.000 0.000 0.467 40 Y N 3.223 123.465 120.300 -0.097 0.000 2.526 40 Y HA 0.191 4.736 4.550 -0.009 0.000 0.330 40 Y C -0.551 175.297 175.900 -0.087 0.000 1.156 40 Y CA 0.081 58.092 58.100 -0.149 0.000 1.419 40 Y CB 0.655 39.017 38.460 -0.163 0.000 1.250 40 Y HN 0.691 8.971 8.280 0.000 0.000 0.540 41 D N 8.847 128.847 120.400 -0.667 0.000 2.454 41 D HA 0.273 4.908 4.640 -0.009 0.000 0.247 41 D C -2.105 173.727 176.300 -0.779 0.000 1.129 41 D CA -2.445 51.217 54.000 -0.563 0.000 0.877 41 D CB 1.615 42.272 40.800 -0.237 0.000 1.082 41 D HN 0.393 8.763 8.370 0.000 0.000 0.537 42 P HA -0.105 4.315 4.420 0.000 0.000 0.226 42 P C 0.990 178.150 177.300 -0.233 0.000 1.153 42 P CA 0.547 63.319 63.100 -0.546 0.000 0.777 42 P CB 0.241 31.774 31.700 -0.278 0.000 0.794 43 S N -1.262 114.319 115.700 -0.199 0.000 2.562 43 S HA 0.055 4.520 4.470 -0.009 0.000 0.221 43 S C 0.902 175.467 174.600 -0.060 0.000 0.975 43 S CA -0.309 57.833 58.200 -0.097 0.000 0.918 43 S CB -1.051 62.105 63.200 -0.073 0.000 0.772 43 S HN 0.029 8.339 8.310 0.000 0.000 0.531 44 L N 2.312 123.488 121.223 -0.078 0.000 2.453 44 L HA 0.256 4.591 4.340 -0.009 0.000 0.272 44 L C 0.420 177.317 176.870 0.045 0.000 1.182 44 L CA -0.118 54.728 54.840 0.011 0.000 0.858 44 L CB 0.595 42.660 42.059 0.009 0.000 1.120 44 L HN 0.200 8.430 8.230 0.000 0.000 0.474 45 K N 3.665 124.120 120.400 0.092 0.000 2.090 45 K HA 0.414 4.729 4.320 -0.009 0.000 0.249 45 K C -2.326 174.359 176.600 0.141 0.000 0.995 45 K CA -1.794 54.539 56.287 0.076 0.000 0.914 45 K CB 0.255 32.779 32.500 0.039 0.000 1.057 45 K HN 0.278 8.528 8.250 0.000 0.000 0.462 46 P HA -0.064 4.356 4.420 0.000 0.000 0.266 46 P C -0.798 176.545 177.300 0.072 0.000 1.195 46 P CA -0.267 62.897 63.100 0.106 0.000 0.768 46 P CB 0.339 32.062 31.700 0.038 0.000 0.838 47 L N 2.595 123.855 121.223 0.063 0.000 2.380 47 L HA 0.298 4.633 4.340 -0.009 0.000 0.273 47 L C 0.272 177.067 176.870 -0.124 0.000 1.138 47 L CA 0.438 55.209 54.840 -0.114 0.000 0.832 47 L CB 0.579 42.509 42.059 -0.215 0.000 1.124 47 L HN 0.252 8.482 8.230 0.000 0.000 0.454 48 S N 4.337 119.940 115.700 -0.161 0.000 2.448 48 S HA 0.594 5.058 4.470 -0.009 0.000 0.320 48 S C -0.921 173.539 174.600 -0.234 0.000 1.071 48 S CA -0.694 57.410 58.200 -0.159 0.000 1.113 48 S CB 0.430 63.560 63.200 -0.117 0.000 0.972 48 S HN 0.417 8.727 8.310 0.000 0.000 0.465 49 V N 5.347 125.091 119.914 -0.283 0.000 2.334 49 V HA 0.450 4.565 4.120 -0.009 0.000 0.281 49 V C -0.146 175.707 176.094 -0.402 0.000 1.016 49 V CA -0.593 61.422 62.300 -0.475 0.000 0.832 49 V CB 1.326 32.780 31.823 -0.615 0.000 0.999 49 V HN 0.878 9.068 8.190 0.000 0.000 0.439 50 S N 4.933 120.459 115.700 -0.290 0.000 2.426 50 S HA 0.444 4.909 4.470 -0.009 0.000 0.236 50 S C -0.216 174.446 174.600 0.103 0.000 1.368 50 S CA -0.376 57.770 58.200 -0.089 0.000 1.154 50 S CB 0.154 63.331 63.200 -0.039 0.000 1.037 50 S HN 0.658 8.968 8.310 0.000 0.000 0.481 51 Y N 1.719 121.999 120.300 -0.033 0.000 2.467 51 Y HA 0.096 4.642 4.550 -0.006 0.000 0.250 51 Y C 1.813 177.707 175.900 -0.010 0.000 1.155 51 Y CA -1.405 56.678 58.100 -0.028 0.000 1.249 51 Y CB -0.295 38.142 38.460 -0.038 0.000 1.146 51 Y HN 0.544 8.824 8.280 0.000 0.000 0.524 52 D N -0.331 120.146 120.400 0.127 0.000 2.203 52 D HA -0.215 4.420 4.640 -0.009 0.000 0.199 52 D C 0.841 177.182 176.300 0.068 0.000 0.997 52 D CA 1.235 55.278 54.000 0.073 0.000 0.863 52 D CB -0.021 40.803 40.800 0.039 0.000 0.928 52 D HN 0.263 8.633 8.370 0.000 0.000 0.458 53 Q N 0.142 119.989 119.800 0.077 0.000 2.172 53 Q HA 0.395 4.729 4.340 -0.009 0.000 0.217 53 Q C 0.087 176.142 176.000 0.092 0.000 0.832 53 Q CA -0.271 55.573 55.803 0.069 0.000 1.010 53 Q CB 0.860 29.632 28.738 0.056 0.000 1.133 53 Q HN 0.332 8.602 8.270 0.000 0.000 0.489 54 A N 1.069 123.954 122.820 0.109 0.000 2.587 54 A HA 0.154 4.469 4.320 -0.009 0.000 0.235 54 A C 0.129 177.854 177.584 0.235 0.000 1.044 54 A CA 0.714 52.852 52.037 0.168 0.000 0.754 54 A CB 0.170 19.240 19.000 0.117 0.000 0.968 54 A HN 0.102 8.252 8.150 0.000 0.000 0.509 55 T N 2.705 117.449 114.554 0.316 0.000 3.060 55 T HA 0.420 4.765 4.350 -0.009 0.000 0.367 55 T C 0.266 175.022 174.700 0.093 0.000 1.229 55 T CA 0.077 62.287 62.100 0.183 0.000 1.104 55 T CB 0.226 69.162 68.868 0.114 0.000 1.083 55 T HN 0.969 9.209 8.240 0.000 0.000 0.524 56 S N 3.031 118.646 115.700 -0.142 0.000 2.585 56 S HA 0.470 4.935 4.470 -0.009 0.000 0.273 56 S C 0.891 175.325 174.600 -0.277 0.000 1.339 56 S CA -0.739 57.071 58.200 -0.650 0.000 1.028 56 S CB 0.858 63.716 63.200 -0.570 0.000 0.906 56 S HN 0.580 8.890 8.310 0.000 0.000 0.528 57 L N 0.430 121.496 121.223 -0.261 0.000 2.694 57 L HA 0.487 4.822 4.340 -0.009 0.000 0.228 57 L C 1.141 177.980 176.870 -0.052 0.000 1.048 57 L CA 0.026 54.802 54.840 -0.108 0.000 0.887 57 L CB 0.243 42.258 42.059 -0.074 0.000 1.265 57 L HN 0.725 8.955 8.230 0.000 0.000 0.492 58 R N -0.223 120.239 120.500 -0.063 0.000 2.690 58 R HA 0.530 4.865 4.340 -0.009 0.000 0.269 58 R C -2.074 174.172 176.300 -0.092 0.000 1.037 58 R CA -0.558 55.525 56.100 -0.029 0.000 0.877 58 R CB 2.685 32.952 30.300 -0.054 0.000 1.255 58 R HN -0.039 8.231 8.270 0.000 0.000 0.467 59 I N 3.319 123.804 120.570 -0.141 0.000 2.509 59 I HA 0.514 4.679 4.170 -0.009 0.000 0.293 59 I C -1.783 174.230 176.117 -0.174 0.000 1.020 59 I CA -1.106 60.031 61.300 -0.273 0.000 1.088 59 I CB 1.803 39.434 38.000 -0.614 0.000 1.267 59 I HN 0.563 8.773 8.210 0.000 0.000 0.430 60 L N 7.771 128.922 121.223 -0.119 0.000 2.436 60 L HA 0.518 4.853 4.340 -0.009 0.000 0.268 60 L C -1.211 175.640 176.870 -0.031 0.000 0.974 60 L CA -0.309 54.484 54.840 -0.079 0.000 0.826 60 L CB 1.709 43.721 42.059 -0.078 0.000 1.291 60 L HN 0.594 8.824 8.230 0.000 0.000 0.406 61 N N 2.924 121.605 118.700 -0.032 0.000 2.415 61 N HA 0.147 4.882 4.740 -0.009 0.000 0.246 61 N C -0.157 175.324 175.510 -0.049 0.000 1.078 61 N CA -0.129 52.920 53.050 -0.002 0.000 0.942 61 N CB 0.582 39.069 38.487 0.000 0.000 1.140 61 N HN 0.761 9.141 8.380 0.000 0.000 0.501 62 N N 2.989 121.618 118.700 -0.118 0.000 2.235 62 N HA 0.155 4.890 4.740 -0.009 0.000 0.209 62 N C 1.062 176.470 175.510 -0.170 0.000 1.122 62 N CA 0.252 53.193 53.050 -0.182 0.000 0.845 62 N CB 0.036 38.345 38.487 -0.297 0.000 1.004 62 N HN 0.614 8.994 8.380 0.000 0.000 0.499 63 G N 0.427 109.190 108.800 -0.061 0.000 2.234 63 G HA2 -0.398 3.557 3.960 -0.009 0.000 0.260 63 G HA3 -0.398 3.557 3.960 -0.009 0.000 0.260 63 G C 0.725 175.745 174.900 0.200 0.000 0.987 63 G CA 0.879 46.011 45.100 0.053 0.000 0.625 63 G HN 0.759 9.049 8.290 0.000 0.000 0.532 64 H N -1.499 117.657 119.070 0.144 0.000 2.594 64 H HA 0.799 5.363 4.556 0.013 0.000 0.274 64 H C 1.246 176.710 175.328 0.226 0.000 0.982 64 H CA 0.971 57.194 56.048 0.291 0.000 1.228 64 H CB 0.032 29.975 29.762 0.303 0.000 1.447 64 H HN 1.141 9.421 8.280 0.000 0.000 0.485 65 A N 0.694 123.490 122.820 -0.039 0.000 2.593 65 A HA 0.567 4.882 4.320 -0.009 0.000 0.304 65 A C -1.742 175.856 177.584 0.023 0.000 1.233 65 A CA -0.719 51.301 52.037 -0.029 0.000 0.661 65 A CB 0.585 19.513 19.000 -0.120 0.000 1.338 65 A HN 0.333 8.483 8.150 0.000 0.000 0.495 66 F N -0.092 119.907 119.950 0.082 0.000 2.495 66 F HA 0.806 5.314 4.527 -0.032 0.000 0.327 66 F C -0.755 175.022 175.800 -0.038 0.000 1.103 66 F CA -1.320 56.649 58.000 -0.051 0.000 0.949 66 F CB 1.184 40.106 39.000 -0.129 0.000 1.142 66 F HN 0.250 8.550 8.300 0.000 0.000 0.457 67 N N 2.273 120.978 118.700 0.008 0.000 2.408 67 N HA 0.446 5.181 4.740 -0.009 0.000 0.280 67 N C -1.204 174.202 175.510 -0.174 0.000 1.002 67 N CA -0.643 52.358 53.050 -0.082 0.000 0.907 67 N CB 2.268 40.706 38.487 -0.082 0.000 1.161 67 N HN 0.545 8.925 8.380 0.000 0.000 0.488 68 V N 2.344 122.003 119.914 -0.424 0.000 2.364 68 V HA 0.224 4.339 4.120 -0.009 0.000 0.272 68 V C 0.390 176.244 176.094 -0.400 0.000 1.036 68 V CA -0.467 61.481 62.300 -0.586 0.000 0.880 68 V CB 0.475 31.631 31.823 -1.111 0.000 0.991 68 V HN 0.539 8.729 8.190 0.000 0.000 0.460 69 E N 3.812 123.828 120.200 -0.307 0.000 2.214 69 E HA 0.646 4.991 4.350 -0.009 0.000 0.274 69 E C -1.337 175.070 176.600 -0.321 0.000 0.977 69 E CA -0.423 55.893 56.400 -0.140 0.000 0.827 69 E CB 1.900 31.539 29.700 -0.102 0.000 1.130 69 E HN 0.495 8.855 8.360 0.000 0.000 0.394 70 F N 0.437 120.383 119.950 -0.007 0.000 2.579 70 F HA 0.183 4.705 4.527 -0.008 0.000 0.324 70 F C 0.119 175.947 175.800 0.047 0.000 1.058 70 F CA -1.093 56.924 58.000 0.027 0.000 0.944 70 F CB 1.306 40.318 39.000 0.019 0.000 1.245 70 F HN 0.297 8.597 8.300 0.000 0.000 0.477 71 D N 1.417 121.943 120.400 0.209 0.000 2.338 71 D HA 0.091 4.726 4.640 -0.009 0.000 0.255 71 D C -0.138 176.288 176.300 0.209 0.000 1.237 71 D CA -0.107 53.993 54.000 0.167 0.000 0.883 71 D CB 0.435 41.308 40.800 0.121 0.000 1.087 71 D HN 0.514 8.884 8.370 0.000 0.000 0.485 72 D N 1.068 121.610 120.400 0.237 0.000 2.643 72 D HA -0.025 4.610 4.640 -0.009 0.000 0.244 72 D C 0.569 177.054 176.300 0.308 0.000 1.257 72 D CA -0.265 53.907 54.000 0.286 0.000 0.831 72 D CB -0.389 40.710 40.800 0.499 0.000 1.043 72 D HN 0.178 8.548 8.370 0.000 0.000 0.488 73 S N -1.340 114.485 115.700 0.208 0.000 2.575 73 S HA 0.148 4.612 4.470 -0.009 0.000 0.215 73 S C 0.600 175.281 174.600 0.136 0.000 0.966 73 S CA -0.251 58.058 58.200 0.182 0.000 0.911 73 S CB 0.121 63.398 63.200 0.128 0.000 0.780 73 S HN 0.251 8.561 8.310 0.000 0.000 0.514 74 Q N 0.077 119.943 119.800 0.109 0.000 2.565 74 Q HA 0.341 4.676 4.340 -0.009 0.000 0.294 74 Q C -2.000 174.020 176.000 0.033 0.000 1.005 74 Q CA -0.964 54.878 55.803 0.066 0.000 0.771 74 Q CB 1.065 29.836 28.738 0.055 0.000 1.486 74 Q HN 0.078 8.348 8.270 0.000 0.000 0.422 75 D N 1.634 122.036 120.400 0.004 0.000 2.383 75 D HA 0.121 4.756 4.640 -0.009 0.000 0.245 75 D C 0.084 176.390 176.300 0.010 0.000 1.263 75 D CA 0.500 54.487 54.000 -0.021 0.000 0.936 75 D CB 0.646 41.426 40.800 -0.034 0.000 1.053 75 D HN 0.335 8.705 8.370 0.000 0.000 0.507 76 K N 0.547 120.962 120.400 0.024 0.000 2.443 76 K HA 0.310 4.625 4.320 -0.009 0.000 0.200 76 K C 0.162 176.802 176.600 0.066 0.000 1.278 76 K CA -0.071 56.246 56.287 0.050 0.000 0.925 76 K CB 1.143 33.686 32.500 0.072 0.000 1.225 76 K HN 0.218 8.468 8.250 0.000 0.000 0.514 77 A N 2.071 124.924 122.820 0.055 0.000 2.466 77 A HA 0.520 4.835 4.320 -0.009 0.000 0.291 77 A C -0.727 176.951 177.584 0.157 0.000 1.234 77 A CA -0.617 51.482 52.037 0.105 0.000 0.752 77 A CB 0.735 19.644 19.000 -0.151 0.000 1.153 77 A HN 0.013 8.163 8.150 0.000 0.000 0.458 78 V N 0.643 120.676 119.914 0.199 0.000 2.876 78 V HA 0.896 5.011 4.120 -0.009 0.000 0.312 78 V C -1.118 174.989 176.094 0.022 0.000 1.085 78 V CA -1.009 61.357 62.300 0.111 0.000 0.945 78 V CB 1.684 33.507 31.823 0.001 0.000 1.017 78 V HN 0.866 9.056 8.190 0.000 0.000 0.428 79 L N 4.228 125.398 121.223 -0.088 0.000 2.317 79 L HA 0.880 5.215 4.340 -0.009 0.000 0.281 79 L C -0.157 176.611 176.870 -0.170 0.000 1.024 79 L CA 0.197 54.866 54.840 -0.286 0.000 0.810 79 L CB 1.248 42.878 42.059 -0.715 0.000 1.240 79 L HN 1.122 9.352 8.230 0.000 0.000 0.427 80 K N 2.853 123.146 120.400 -0.177 0.000 2.428 80 K HA 0.887 5.202 4.320 -0.009 0.000 0.279 80 K C 0.027 176.543 176.600 -0.141 0.000 1.041 80 K CA -0.536 55.684 56.287 -0.112 0.000 0.887 80 K CB 0.505 32.972 32.500 -0.054 0.000 1.535 80 K HN 0.925 9.175 8.250 0.000 0.000 0.417 81 G N -0.341 108.404 108.800 -0.093 0.000 2.552 81 G HA2 0.095 4.050 3.960 -0.009 0.000 0.265 81 G HA3 0.095 4.050 3.960 -0.009 0.000 0.265 81 G C 0.687 175.517 174.900 -0.116 0.000 1.234 81 G CA 0.871 45.923 45.100 -0.080 0.000 0.944 81 G HN 1.918 10.208 8.290 0.000 0.000 0.568 82 G N -0.841 107.913 108.800 -0.077 0.000 2.583 82 G HA2 -0.049 3.906 3.960 -0.009 0.000 0.292 82 G HA3 -0.049 3.906 3.960 -0.009 0.000 0.292 82 G C -0.449 174.443 174.900 -0.013 0.000 1.203 82 G CA 1.722 46.765 45.100 -0.095 0.000 0.987 82 G HN 1.564 9.854 8.290 0.000 0.000 0.554 83 P HA 0.278 4.698 4.420 0.000 0.000 0.255 83 P C 0.661 177.929 177.300 -0.053 0.000 1.248 83 P CA 0.275 63.369 63.100 -0.011 0.000 0.807 83 P CB 0.054 31.756 31.700 0.004 0.000 1.150 84 L N 0.274 121.435 121.223 -0.104 0.000 2.379 84 L HA 0.369 4.704 4.340 -0.009 0.000 0.269 84 L C 0.404 177.286 176.870 0.019 0.000 1.084 84 L CA -0.584 54.212 54.840 -0.073 0.000 0.802 84 L CB 0.518 42.476 42.059 -0.168 0.000 1.175 84 L HN -0.241 7.989 8.230 0.000 0.000 0.448 85 D N 1.223 121.675 120.400 0.087 0.000 2.163 85 D HA 0.533 5.168 4.640 -0.009 0.000 0.248 85 D C 0.469 176.819 176.300 0.083 0.000 1.035 85 D CA 0.488 54.523 54.000 0.058 0.000 0.872 85 D CB 1.873 42.696 40.800 0.038 0.000 1.183 85 D HN 0.748 9.118 8.370 0.000 0.000 0.445 86 G N 1.606 110.416 108.800 0.016 0.000 2.697 86 G HA2 -0.178 3.777 3.960 -0.009 0.000 0.240 86 G HA3 -0.178 3.777 3.960 -0.009 0.000 0.240 86 G C -0.505 174.404 174.900 0.014 0.000 1.346 86 G CA -0.390 44.690 45.100 -0.034 0.000 0.887 86 G HN 0.556 8.846 8.290 0.000 0.000 0.569 87 T N 0.526 115.018 114.554 -0.105 0.000 2.848 87 T HA 0.617 4.962 4.350 -0.009 0.000 0.285 87 T C -1.317 173.271 174.700 -0.188 0.000 0.995 87 T CA -0.141 61.918 62.100 -0.069 0.000 0.970 87 T CB 1.382 70.180 68.868 -0.116 0.000 0.976 87 T HN 0.538 8.778 8.240 0.000 0.000 0.441 88 Y N 1.670 121.853 120.300 -0.194 0.000 2.350 88 Y HA 0.491 5.035 4.550 -0.010 0.000 0.338 88 Y C 0.725 176.493 175.900 -0.219 0.000 0.961 88 Y CA -1.117 56.856 58.100 -0.212 0.000 1.100 88 Y CB 1.310 39.684 38.460 -0.143 0.000 1.179 88 Y HN 0.313 8.593 8.280 0.000 0.000 0.454 89 R N 2.635 122.916 120.500 -0.365 0.000 2.297 89 R HA 0.348 4.683 4.340 -0.009 0.000 0.308 89 R C -0.879 175.316 176.300 -0.175 0.000 1.029 89 R CA -1.125 54.753 56.100 -0.369 0.000 0.929 89 R CB 1.255 31.081 30.300 -0.789 0.000 1.046 89 R HN 0.555 8.825 8.270 0.000 0.000 0.461 90 L N 4.264 125.465 121.223 -0.037 0.000 2.462 90 L HA 0.063 4.398 4.340 -0.009 0.000 0.272 90 L C 0.664 177.489 176.870 -0.075 0.000 1.166 90 L CA 0.848 55.538 54.840 -0.250 0.000 0.880 90 L CB 0.478 42.232 42.059 -0.508 0.000 1.142 90 L HN 0.779 9.009 8.230 0.000 0.000 0.473 91 I N 2.441 123.034 120.570 0.038 0.000 3.718 91 I HA 0.175 4.340 4.170 -0.009 0.000 0.297 91 I C -0.332 175.899 176.117 0.189 0.000 1.220 91 I CA 0.049 61.480 61.300 0.218 0.000 1.381 91 I CB 0.270 38.458 38.000 0.314 0.000 1.238 91 I HN 0.893 9.103 8.210 0.000 0.000 0.448 92 Q N 0.289 120.161 119.800 0.120 0.000 2.702 92 Q HA 0.376 4.711 4.340 -0.009 0.000 0.289 92 Q C -1.202 174.900 176.000 0.169 0.000 0.923 92 Q CA -0.810 55.100 55.803 0.178 0.000 0.787 92 Q CB 1.165 29.942 28.738 0.065 0.000 1.476 92 Q HN 0.160 8.430 8.270 0.000 0.000 0.402 93 F N -1.235 118.809 119.950 0.155 0.000 2.611 93 F HA 0.948 5.474 4.527 -0.001 0.000 0.324 93 F C -0.575 175.197 175.800 -0.047 0.000 1.061 93 F CA -0.616 57.366 58.000 -0.030 0.000 0.954 93 F CB 1.889 40.823 39.000 -0.109 0.000 1.301 93 F HN 0.875 9.175 8.300 0.000 0.000 0.482 94 H N -0.972 118.146 119.070 0.080 0.000 2.918 94 H HA 0.608 5.162 4.556 -0.003 0.000 0.303 94 H C -2.294 172.827 175.328 -0.344 0.000 1.380 94 H CA -1.203 54.736 56.048 -0.181 0.000 1.134 94 H CB 1.575 31.236 29.762 -0.168 0.000 1.842 94 H HN 0.673 8.953 8.280 0.000 0.000 0.533 95 F N -0.224 119.614 119.950 -0.187 0.000 2.611 95 F HA 0.481 4.999 4.527 -0.016 0.000 0.324 95 F C 0.140 175.929 175.800 -0.018 0.000 1.061 95 F CA -0.680 57.312 58.000 -0.014 0.000 0.954 95 F CB 1.955 41.012 39.000 0.096 0.000 1.301 95 F HN 0.406 8.706 8.300 0.000 0.000 0.482 96 H N 0.033 119.403 119.070 0.499 0.000 2.538 96 H HA 0.402 4.956 4.556 -0.002 0.000 0.353 96 H C -1.459 174.190 175.328 0.535 0.000 1.109 96 H CA -0.879 55.372 56.048 0.339 0.000 1.192 96 H CB 2.179 32.107 29.762 0.277 0.000 1.555 96 H HN 0.808 9.088 8.280 0.000 0.000 0.518 97 W N 1.186 122.727 121.300 0.402 0.000 3.042 97 W HA 0.659 5.303 4.660 -0.027 0.000 0.342 97 W C -0.856 175.875 176.519 0.353 0.000 1.240 97 W CA -1.344 56.207 57.345 0.344 0.000 1.166 97 W CB 0.492 30.187 29.460 0.392 0.000 1.469 97 W HN 0.700 8.880 8.180 0.000 0.000 0.579 98 G N -0.161 108.936 108.800 0.496 0.000 2.552 98 G HA2 0.415 4.370 3.960 -0.009 0.000 0.318 98 G HA3 0.415 4.370 3.960 -0.009 0.000 0.318 98 G C 0.343 175.481 174.900 0.396 0.000 1.240 98 G CA -0.395 44.944 45.100 0.399 0.000 1.002 98 G HN 0.966 9.256 8.290 0.000 0.000 0.493 99 S N -1.413 114.472 115.700 0.307 0.000 2.496 99 S HA 0.241 4.706 4.470 -0.009 0.000 0.224 99 S C 0.647 175.356 174.600 0.181 0.000 0.996 99 S CA 0.220 58.561 58.200 0.236 0.000 0.927 99 S CB -0.363 62.954 63.200 0.196 0.000 0.774 99 S HN 0.322 8.632 8.310 0.000 0.000 0.524 100 L N 0.295 121.620 121.223 0.170 0.000 2.415 100 L HA 0.501 4.836 4.340 -0.009 0.000 0.256 100 L C -0.122 176.805 176.870 0.094 0.000 1.010 100 L CA -0.896 54.011 54.840 0.111 0.000 0.826 100 L CB 1.459 43.573 42.059 0.091 0.000 1.405 100 L HN -0.224 8.006 8.230 0.000 0.000 0.410 101 D N 1.047 121.481 120.400 0.057 0.000 2.264 101 D HA -0.068 4.567 4.640 -0.009 0.000 0.208 101 D C 1.752 178.061 176.300 0.015 0.000 0.966 101 D CA 1.287 55.311 54.000 0.040 0.000 0.864 101 D CB 0.093 40.905 40.800 0.019 0.000 0.933 101 D HN 0.805 9.175 8.370 0.000 0.000 0.499 102 G N -0.006 108.795 108.800 0.002 0.000 2.956 102 G HA2 -0.032 3.922 3.960 -0.009 0.000 0.207 102 G HA3 -0.032 3.922 3.960 -0.009 0.000 0.207 102 G C 0.428 175.281 174.900 -0.080 0.000 1.162 102 G CA 0.040 45.115 45.100 -0.041 0.000 0.796 102 G HN 0.361 8.651 8.290 0.000 0.000 0.527 103 Q N -3.382 116.375 119.800 -0.072 0.000 2.534 103 Q HA 0.593 4.928 4.340 -0.009 0.000 0.290 103 Q C 0.080 175.932 176.000 -0.246 0.000 0.991 103 Q CA -0.480 55.181 55.803 -0.236 0.000 0.783 103 Q CB 1.467 30.116 28.738 -0.148 0.000 1.470 103 Q HN 0.384 8.654 8.270 0.000 0.000 0.406 104 G N 0.618 108.990 108.800 -0.713 0.000 3.211 104 G HA2 -0.168 3.787 3.960 -0.009 0.000 0.202 104 G HA3 -0.168 3.787 3.960 -0.009 0.000 0.202 104 G C 0.089 174.822 174.900 -0.278 0.000 1.035 104 G CA 0.077 44.944 45.100 -0.388 0.000 0.846 104 G HN 1.170 9.460 8.290 0.000 0.000 0.464 105 S N 0.523 116.117 115.700 -0.177 0.000 2.593 105 S HA 0.565 5.029 4.470 -0.009 0.000 0.269 105 S C 0.861 175.463 174.600 0.002 0.000 1.334 105 S CA 0.731 58.994 58.200 0.105 0.000 1.015 105 S CB 1.990 65.416 63.200 0.377 0.000 0.912 105 S HN 0.391 8.701 8.310 0.000 0.000 0.541 106 E N 0.749 121.052 120.200 0.171 0.000 2.065 106 E HA 0.038 4.383 4.350 -0.009 0.000 0.191 106 E C -0.075 176.511 176.600 -0.024 0.000 0.960 106 E CA 0.405 56.858 56.400 0.089 0.000 0.824 106 E CB -0.247 29.450 29.700 -0.005 0.000 0.793 106 E HN 0.786 9.146 8.360 0.000 0.000 0.459 107 H N 0.779 119.954 119.070 0.176 0.000 2.771 107 H HA 0.098 4.648 4.556 -0.009 0.000 0.364 107 H C 0.188 175.672 175.328 0.260 0.000 1.133 107 H CA 0.599 56.761 56.048 0.191 0.000 1.423 107 H CB 0.736 30.647 29.762 0.249 0.000 1.425 107 H HN 0.062 8.342 8.280 0.000 0.000 0.606 108 T N -1.351 113.318 114.554 0.192 0.000 2.916 108 T HA 0.634 4.979 4.350 -0.009 0.000 0.292 108 T C -0.876 173.801 174.700 -0.040 0.000 1.064 108 T CA -1.034 61.081 62.100 0.026 0.000 1.011 108 T CB 1.248 70.084 68.868 -0.054 0.000 1.152 108 T HN 0.282 8.522 8.240 0.000 0.000 0.510 109 V N 2.245 122.079 119.914 -0.133 0.000 2.376 109 V HA 0.349 4.464 4.120 -0.009 0.000 0.287 109 V C -0.583 175.427 176.094 -0.140 0.000 1.015 109 V CA -0.717 61.480 62.300 -0.172 0.000 0.834 109 V CB 0.824 32.584 31.823 -0.104 0.000 1.001 109 V HN 1.111 9.301 8.190 0.000 0.000 0.428 110 D N 4.883 125.202 120.400 -0.136 0.000 2.701 110 D HA -0.189 4.446 4.640 -0.009 0.000 0.235 110 D C 1.061 177.312 176.300 -0.081 0.000 1.155 110 D CA 0.990 54.942 54.000 -0.081 0.000 0.649 110 D CB -0.453 40.326 40.800 -0.036 0.000 1.050 110 D HN 0.844 9.214 8.370 0.000 0.000 0.425 111 K N -2.920 117.423 120.400 -0.094 0.000 3.547 111 K HA -0.269 4.046 4.320 -0.009 0.000 0.309 111 K C 0.597 177.123 176.600 -0.124 0.000 1.324 111 K CA 1.338 57.571 56.287 -0.090 0.000 0.988 111 K CB -1.418 31.043 32.500 -0.065 0.000 1.261 111 K HN 0.598 8.848 8.250 0.000 0.000 0.444 112 K N 2.369 122.670 120.400 -0.166 0.000 2.368 112 K HA 0.128 4.443 4.320 -0.009 0.000 0.282 112 K C -0.524 175.895 176.600 -0.301 0.000 1.035 112 K CA 0.138 56.270 56.287 -0.258 0.000 0.973 112 K CB 0.507 32.800 32.500 -0.344 0.000 0.957 112 K HN -0.018 8.232 8.250 0.000 0.000 0.474 113 K N 3.821 124.034 120.400 -0.311 0.000 2.265 113 K HA 0.189 4.504 4.320 -0.009 0.000 0.267 113 K C -1.019 175.396 176.600 -0.309 0.000 0.994 113 K CA -0.642 55.479 56.287 -0.277 0.000 0.860 113 K CB 0.940 33.267 32.500 -0.287 0.000 1.099 113 K HN 0.385 8.635 8.250 0.000 0.000 0.448 114 Y N 0.333 120.523 120.300 -0.184 0.000 2.295 114 Y HA 0.112 4.656 4.550 -0.009 0.000 0.331 114 Y C 1.599 177.486 175.900 -0.021 0.000 1.311 114 Y CA 0.002 58.052 58.100 -0.083 0.000 1.430 114 Y CB 0.826 39.287 38.460 0.001 0.000 1.339 114 Y HN 0.734 9.014 8.280 0.000 0.000 0.552 115 A N 0.928 123.882 122.820 0.224 0.000 2.019 115 A HA 0.306 4.620 4.320 -0.009 0.000 0.219 115 A C 0.859 178.592 177.584 0.249 0.000 1.164 115 A CA 1.696 53.832 52.037 0.165 0.000 0.644 115 A CB -0.586 18.491 19.000 0.129 0.000 0.805 115 A HN 0.776 8.926 8.150 0.000 0.000 0.449 116 A N -1.874 121.145 122.820 0.332 0.000 2.564 116 A HA 0.670 4.985 4.320 -0.009 0.000 0.291 116 A C -1.018 176.837 177.584 0.452 0.000 1.102 116 A CA -0.146 52.160 52.037 0.447 0.000 0.660 116 A CB 0.714 20.039 19.000 0.543 0.000 1.283 116 A HN 0.243 8.393 8.150 0.000 0.000 0.430 117 E N -0.124 120.354 120.200 0.464 0.000 2.304 117 E HA 0.502 4.847 4.350 -0.009 0.000 0.277 117 E C -2.009 174.684 176.600 0.156 0.000 0.898 117 E CA -0.646 55.927 56.400 0.289 0.000 0.764 117 E CB 1.786 31.627 29.700 0.235 0.000 1.216 117 E HN 0.808 9.168 8.360 0.000 0.000 0.419 118 L N 4.302 125.539 121.223 0.024 0.000 2.312 118 L HA 0.439 4.774 4.340 -0.009 0.000 0.281 118 L C -1.431 175.330 176.870 -0.182 0.000 1.070 118 L CA 0.003 54.638 54.840 -0.342 0.000 0.805 118 L CB 0.981 42.833 42.059 -0.345 0.000 1.174 118 L HN 0.639 8.869 8.230 0.000 0.000 0.434 119 H N 5.272 124.161 119.070 -0.302 0.000 2.646 119 H HA 0.463 5.014 4.556 -0.010 0.000 0.328 119 H C -1.080 174.122 175.328 -0.210 0.000 0.998 119 H CA -0.834 55.118 56.048 -0.160 0.000 1.225 119 H CB 1.438 31.121 29.762 -0.130 0.000 1.457 119 H HN 0.502 8.782 8.280 0.000 0.000 0.505 120 L N 4.729 125.985 121.223 0.055 0.000 2.264 120 L HA 0.261 4.596 4.340 -0.009 0.000 0.287 120 L C -0.455 176.356 176.870 -0.098 0.000 1.039 120 L CA -0.643 54.197 54.840 -0.000 0.000 0.829 120 L CB 1.012 43.121 42.059 0.083 0.000 1.211 120 L HN 0.353 8.583 8.230 0.000 0.000 0.427 121 V N 2.873 122.707 119.914 -0.134 0.000 2.407 121 V HA 0.357 4.472 4.120 -0.009 0.000 0.278 121 V C -0.459 175.563 176.094 -0.121 0.000 1.037 121 V CA -0.591 61.708 62.300 -0.002 0.000 0.900 121 V CB 0.855 32.791 31.823 0.189 0.000 0.983 121 V HN 0.632 8.822 8.190 0.000 0.000 0.459 122 H N 3.465 122.634 119.070 0.164 0.000 2.768 122 H HA 0.635 5.188 4.556 -0.006 0.000 0.371 122 H C -0.770 174.785 175.328 0.378 0.000 1.151 122 H CA -0.663 55.494 56.048 0.182 0.000 1.165 122 H CB 1.585 31.398 29.762 0.084 0.000 1.722 122 H HN 0.774 9.054 8.280 0.000 0.000 0.543 123 W N 1.124 122.665 121.300 0.402 0.000 2.689 123 W HA 0.450 5.104 4.660 -0.010 0.000 0.340 123 W C -0.693 175.855 176.519 0.050 0.000 1.060 123 W CA -0.902 56.613 57.345 0.283 0.000 1.218 123 W CB 0.957 30.562 29.460 0.243 0.000 1.410 123 W HN 0.444 8.623 8.180 0.000 0.000 0.528 124 N N 2.685 121.399 118.700 0.023 0.000 2.442 124 N HA 0.042 4.777 4.740 -0.009 0.000 0.265 124 N C 0.502 175.905 175.510 -0.178 0.000 1.138 124 N CA 0.391 53.039 53.050 -0.670 0.000 0.956 124 N CB 1.025 39.142 38.487 -0.617 0.000 1.067 124 N HN 0.525 8.905 8.380 0.000 0.000 0.474 128 Y N 1.547 121.892 120.300 0.074 0.000 2.458 128 Y HA 0.370 4.915 4.550 -0.009 0.000 0.256 128 Y C 1.765 177.704 175.900 0.065 0.000 1.159 128 Y CA 0.448 58.580 58.100 0.054 0.000 1.261 128 Y CB 1.226 39.694 38.460 0.014 0.000 1.119 128 Y HN 0.438 8.718 8.280 0.000 0.000 0.524 129 G N 0.652 109.630 108.800 0.297 0.000 2.458 129 G HA2 -0.336 3.619 3.960 -0.009 0.000 0.237 129 G HA3 -0.336 3.619 3.960 -0.009 0.000 0.237 129 G C -0.056 174.824 174.900 -0.034 0.000 1.113 129 G CA 0.703 45.928 45.100 0.208 0.000 0.655 129 G HN 0.497 8.787 8.290 0.000 0.000 0.513 130 D N -1.940 118.223 120.400 -0.395 0.000 2.615 130 D HA 0.545 5.179 4.640 -0.009 0.000 0.267 130 D C 0.528 176.248 176.300 -0.966 0.000 1.236 130 D CA -0.305 53.129 54.000 -0.945 0.000 0.839 130 D CB -0.078 40.473 40.800 -0.415 0.000 1.380 130 D HN 0.259 8.629 8.370 0.000 0.000 0.433 131 F N 1.017 120.221 119.950 -1.244 0.000 2.095 131 F HA 0.074 4.599 4.527 -0.003 0.000 0.298 131 F C 2.179 177.787 175.800 -0.320 0.000 1.104 131 F CA 2.557 60.130 58.000 -0.711 0.000 1.232 131 F CB -0.398 38.296 39.000 -0.511 0.000 0.987 131 F HN 0.524 8.824 8.300 0.000 0.000 0.475 132 G N 0.280 108.994 108.800 -0.143 0.000 2.422 132 G HA2 -0.228 3.727 3.960 -0.009 0.000 0.218 132 G HA3 -0.228 3.727 3.960 -0.009 0.000 0.218 132 G C 1.756 176.532 174.900 -0.207 0.000 1.146 132 G CA 0.690 45.716 45.100 -0.123 0.000 0.769 132 G HN 0.203 8.493 8.290 0.000 0.000 0.547 133 K N 0.730 121.006 120.400 -0.206 0.000 2.116 133 K HA 0.179 4.494 4.320 -0.009 0.000 0.203 133 K C 2.893 179.331 176.600 -0.270 0.000 1.052 133 K CA 0.929 57.105 56.287 -0.185 0.000 0.952 133 K CB -0.581 31.862 32.500 -0.096 0.000 0.729 133 K HN 0.241 8.491 8.250 0.000 0.000 0.446 134 A N 1.688 124.362 122.820 -0.243 0.000 1.940 134 A HA -0.145 4.170 4.320 -0.009 0.000 0.219 134 A C 2.263 179.647 177.584 -0.335 0.000 1.176 134 A CA 2.023 53.933 52.037 -0.213 0.000 0.631 134 A CB -0.866 18.156 19.000 0.037 0.000 0.814 134 A HN 0.170 8.320 8.150 0.000 0.000 0.446 135 V N -2.510 117.138 119.914 -0.445 0.000 3.078 135 V HA -0.176 3.939 4.120 -0.009 0.000 0.265 135 V C 1.571 177.517 176.094 -0.246 0.000 1.122 135 V CA 1.888 63.963 62.300 -0.375 0.000 1.141 135 V CB -1.077 30.484 31.823 -0.436 0.000 0.735 135 V HN 0.653 8.843 8.190 0.000 0.000 0.498 136 Q N 0.025 119.667 119.800 -0.263 0.000 2.403 136 Q HA 0.195 4.530 4.340 -0.009 0.000 0.203 136 Q C 0.090 175.951 176.000 -0.233 0.000 0.932 136 Q CA 0.160 55.839 55.803 -0.207 0.000 0.945 136 Q CB 0.237 28.863 28.738 -0.188 0.000 1.045 136 Q HN 0.655 8.925 8.270 0.000 0.000 0.511 137 Q N 0.387 119.999 119.800 -0.313 0.000 2.345 137 Q HA 0.216 4.551 4.340 -0.009 0.000 0.268 137 Q C -1.970 173.948 176.000 -0.137 0.000 1.054 137 Q CA -2.209 53.401 55.803 -0.321 0.000 0.835 137 Q CB 1.405 29.692 28.738 -0.751 0.000 1.339 137 Q HN -0.104 8.166 8.270 0.000 0.000 0.447 138 P HA -0.106 4.314 4.420 0.000 0.000 0.223 138 P C 0.058 177.390 177.300 0.053 0.000 1.151 138 P CA 1.166 64.271 63.100 0.007 0.000 0.787 138 P CB 0.354 32.069 31.700 0.025 0.000 0.788 139 D N -1.506 118.962 120.400 0.114 0.000 2.772 139 D HA 0.165 4.799 4.640 -0.009 0.000 0.272 139 D C 1.489 177.989 176.300 0.334 0.000 1.314 139 D CA -0.561 53.563 54.000 0.208 0.000 0.835 139 D CB -0.854 40.083 40.800 0.228 0.000 1.080 139 D HN -0.003 8.367 8.370 0.000 0.000 0.482 140 G N 0.146 109.069 108.800 0.205 0.000 2.408 140 G HA2 0.127 4.082 3.960 -0.009 0.000 0.215 140 G HA3 0.127 4.082 3.960 -0.009 0.000 0.215 140 G C 0.595 175.688 174.900 0.321 0.000 1.156 140 G CA 0.240 45.476 45.100 0.226 0.000 0.793 140 G HN 0.287 8.577 8.290 0.000 0.000 0.535 141 L N -0.073 121.304 121.223 0.257 0.000 2.341 141 L HA 0.729 5.064 4.340 -0.009 0.000 0.267 141 L C -0.709 176.201 176.870 0.067 0.000 1.009 141 L CA -1.118 53.876 54.840 0.257 0.000 0.819 141 L CB 2.456 44.553 42.059 0.063 0.000 1.323 141 L HN 0.048 8.278 8.230 0.000 0.000 0.425 142 A N 2.292 125.083 122.820 -0.049 0.000 2.332 142 A HA 0.718 5.032 4.320 -0.009 0.000 0.300 142 A C -1.002 176.426 177.584 -0.261 0.000 1.153 142 A CA -0.436 51.331 52.037 -0.450 0.000 0.764 142 A CB 1.405 19.820 19.000 -0.976 0.000 1.174 142 A HN 0.342 8.492 8.150 0.000 0.000 0.467 143 V N 3.419 123.009 119.914 -0.539 0.000 2.398 143 V HA 0.389 4.504 4.120 -0.009 0.000 0.286 143 V C -0.429 175.462 176.094 -0.340 0.000 1.026 143 V CA -0.550 61.438 62.300 -0.521 0.000 0.868 143 V CB 1.340 32.477 31.823 -1.142 0.000 0.982 143 V HN 0.804 8.994 8.190 0.000 0.000 0.443 144 L N 5.265 126.461 121.223 -0.046 0.000 2.257 144 L HA 0.820 5.155 4.340 -0.009 0.000 0.290 144 L C 0.483 177.427 176.870 0.123 0.000 1.044 144 L CA 0.318 55.164 54.840 0.009 0.000 0.810 144 L CB 0.821 42.910 42.059 0.049 0.000 1.193 144 L HN 0.695 8.925 8.230 0.000 0.000 0.425 145 G N 6.302 115.207 108.800 0.175 0.000 2.379 145 G HA2 0.666 4.621 3.960 -0.009 0.000 0.327 145 G HA3 0.666 4.621 3.960 -0.009 0.000 0.327 145 G C -1.009 173.856 174.900 -0.059 0.000 1.145 145 G CA -0.461 44.784 45.100 0.243 0.000 0.905 145 G HN 0.606 8.896 8.290 0.000 0.000 0.466 146 I N 1.366 121.872 120.570 -0.106 0.000 2.534 146 I HA 0.313 4.478 4.170 -0.009 0.000 0.288 146 I C -0.873 175.134 176.117 -0.183 0.000 1.077 146 I CA -0.657 60.544 61.300 -0.165 0.000 1.051 146 I CB 2.225 40.202 38.000 -0.039 0.000 1.234 146 I HN 0.246 8.456 8.210 0.000 0.000 0.425 147 F N 5.645 125.557 119.950 -0.064 0.000 2.389 147 F HA 0.407 4.928 4.527 -0.009 0.000 0.337 147 F C -0.039 175.695 175.800 -0.109 0.000 1.112 147 F CA -0.384 57.483 58.000 -0.223 0.000 1.192 147 F CB 0.655 39.115 39.000 -0.899 0.000 1.185 147 F HN 0.132 8.432 8.300 0.000 0.000 0.552 148 L N 2.991 124.361 121.223 0.245 0.000 2.341 148 L HA 0.432 4.767 4.340 -0.009 0.000 0.278 148 L C -0.248 176.784 176.870 0.270 0.000 1.005 148 L CA -0.800 54.175 54.840 0.225 0.000 0.818 148 L CB 1.652 43.860 42.059 0.249 0.000 1.259 148 L HN 0.584 8.814 8.230 0.000 0.000 0.418 149 K N 1.863 122.402 120.400 0.232 0.000 2.221 149 K HA 0.817 5.132 4.320 -0.009 0.000 0.243 149 K C -1.138 175.525 176.600 0.106 0.000 0.968 149 K CA -0.897 55.526 56.287 0.226 0.000 0.846 149 K CB 1.980 34.631 32.500 0.252 0.000 1.141 149 K HN 0.179 8.429 8.250 0.000 0.000 0.434 150 V N 1.331 121.284 119.914 0.065 0.000 2.407 150 V HA 0.535 4.650 4.120 -0.009 0.000 0.278 150 V C 0.460 176.563 176.094 0.016 0.000 1.037 150 V CA 0.573 62.883 62.300 0.016 0.000 0.900 150 V CB 0.560 32.382 31.823 -0.002 0.000 0.983 150 V HN 1.120 9.310 8.190 0.000 0.000 0.459 151 G N 3.505 112.308 108.800 0.005 0.000 2.825 151 G HA2 0.252 4.207 3.960 -0.009 0.000 0.100 151 G HA3 0.252 4.207 3.960 -0.009 0.000 0.100 151 G C -0.083 174.816 174.900 -0.001 0.000 1.195 151 G CA 0.265 45.369 45.100 0.007 0.000 1.317 151 G HN 0.855 9.145 8.290 0.000 0.000 0.632 152 S N 0.609 116.313 115.700 0.006 0.000 2.585 152 S HA 0.634 5.099 4.470 -0.009 0.000 0.273 152 S C 0.671 175.270 174.600 -0.001 0.000 1.339 152 S CA 0.532 58.733 58.200 0.002 0.000 1.028 152 S CB 1.184 64.389 63.200 0.008 0.000 0.906 152 S HN 1.859 10.169 8.310 0.000 0.000 0.528 153 A N 1.284 124.101 122.820 -0.006 0.000 2.406 153 A HA 0.449 4.763 4.320 -0.009 0.000 0.243 153 A C 0.315 177.906 177.584 0.012 0.000 1.082 153 A CA -0.350 51.683 52.037 -0.008 0.000 0.786 153 A CB -0.081 18.914 19.000 -0.008 0.000 1.029 153 A HN 0.809 8.959 8.150 0.000 0.000 0.495 154 K N 1.923 122.335 120.400 0.021 0.000 2.292 154 K HA 0.457 4.772 4.320 -0.009 0.000 0.270 154 K C -2.318 174.324 176.600 0.069 0.000 1.062 154 K CA -2.191 54.128 56.287 0.053 0.000 0.916 154 K CB 1.093 33.641 32.500 0.079 0.000 1.166 154 K HN 0.266 8.516 8.250 0.000 0.000 0.458 155 P HA -0.078 4.342 4.420 0.000 0.000 0.218 155 P C 0.872 178.237 177.300 0.108 0.000 1.148 155 P CA 0.970 64.110 63.100 0.067 0.000 0.822 155 P CB 0.319 32.047 31.700 0.047 0.000 0.784 156 G N -0.578 108.295 108.800 0.121 0.000 2.598 156 G HA2 -0.176 3.778 3.960 -0.009 0.000 0.215 156 G HA3 -0.176 3.778 3.960 -0.009 0.000 0.215 156 G C 1.279 176.390 174.900 0.352 0.000 1.131 156 G CA 0.133 45.335 45.100 0.170 0.000 0.785 156 G HN 0.235 8.525 8.290 0.000 0.000 0.539 157 L N -0.120 121.280 121.223 0.296 0.000 2.446 157 L HA 0.254 4.589 4.340 -0.009 0.000 0.219 157 L C 2.511 179.540 176.870 0.266 0.000 1.116 157 L CA 1.119 56.159 54.840 0.335 0.000 0.844 157 L CB 0.015 42.207 42.059 0.221 0.000 0.970 157 L HN 0.208 8.438 8.230 0.000 0.000 0.457 158 Q N 0.102 120.024 119.800 0.204 0.000 2.167 158 Q HA -0.199 4.136 4.340 -0.009 0.000 0.202 158 Q C 2.073 178.173 176.000 0.168 0.000 0.970 158 Q CA 1.711 57.594 55.803 0.133 0.000 0.855 158 Q CB -0.070 28.723 28.738 0.090 0.000 0.911 158 Q HN 0.437 8.707 8.270 0.000 0.000 0.438 159 K N -0.956 119.609 120.400 0.276 0.000 2.152 159 K HA -0.114 4.201 4.320 -0.009 0.000 0.206 159 K C 1.875 178.681 176.600 0.343 0.000 1.048 159 K CA 1.369 57.847 56.287 0.319 0.000 0.933 159 K CB -0.005 32.748 32.500 0.421 0.000 0.721 159 K HN 0.097 8.347 8.250 0.000 0.000 0.447 160 V N 0.516 120.576 119.914 0.243 0.000 2.346 160 V HA -0.179 3.936 4.120 -0.009 0.000 0.244 160 V C 2.201 178.200 176.094 -0.158 0.000 1.037 160 V CA 1.232 63.505 62.300 -0.046 0.000 1.029 160 V CB -0.155 31.670 31.823 0.004 0.000 0.663 160 V HN 0.044 8.234 8.190 0.000 0.000 0.454 161 V N 0.319 120.215 119.914 -0.030 0.000 2.392 161 V HA -0.276 3.839 4.120 -0.009 0.000 0.249 161 V C 2.144 178.180 176.094 -0.096 0.000 1.059 161 V CA 2.211 64.469 62.300 -0.069 0.000 1.051 161 V CB -0.627 31.178 31.823 -0.029 0.000 0.658 161 V HN 0.563 8.753 8.190 0.000 0.000 0.455 162 D N -0.930 119.449 120.400 -0.035 0.000 2.317 162 D HA -0.036 4.598 4.640 -0.009 0.000 0.211 162 D C 1.855 178.123 176.300 -0.053 0.000 0.966 162 D CA 0.661 54.645 54.000 -0.027 0.000 0.876 162 D CB 0.435 41.246 40.800 0.020 0.000 0.927 162 D HN 0.334 8.704 8.370 0.000 0.000 0.519 163 V N 0.566 120.424 119.914 -0.093 0.000 3.406 163 V HA 0.000 4.115 4.120 -0.009 0.000 0.263 163 V C 2.139 178.094 176.094 -0.231 0.000 1.172 163 V CA 0.345 62.566 62.300 -0.132 0.000 1.140 163 V CB -0.084 31.662 31.823 -0.128 0.000 0.784 163 V HN 0.150 8.340 8.190 0.000 0.000 0.467 164 L N 0.924 121.966 121.223 -0.302 0.000 2.079 164 L HA -0.188 4.147 4.340 -0.009 0.000 0.210 164 L C 2.430 179.175 176.870 -0.208 0.000 1.081 164 L CA 2.173 56.804 54.840 -0.348 0.000 0.752 164 L CB -0.841 40.975 42.059 -0.404 0.000 0.896 164 L HN 0.555 8.785 8.230 0.000 0.000 0.433 165 D N -0.503 119.811 120.400 -0.144 0.000 2.310 165 D HA -0.166 4.469 4.640 -0.009 0.000 0.212 165 D C 1.911 178.160 176.300 -0.086 0.000 0.965 165 D CA 1.375 55.318 54.000 -0.096 0.000 0.879 165 D CB -0.053 40.706 40.800 -0.068 0.000 0.921 165 D HN 0.420 8.790 8.370 0.000 0.000 0.510 166 S N 0.615 116.255 115.700 -0.101 0.000 2.527 166 S HA -0.000 4.465 4.470 -0.009 0.000 0.222 166 S C 1.650 176.196 174.600 -0.090 0.000 0.985 166 S CA -0.108 58.043 58.200 -0.081 0.000 0.921 166 S CB -0.731 62.427 63.200 -0.070 0.000 0.772 166 S HN 0.524 8.834 8.310 0.000 0.000 0.529 167 I N -2.049 118.447 120.570 -0.122 0.000 3.061 167 I HA 0.514 4.678 4.170 -0.009 0.000 0.341 167 I C 0.967 177.030 176.117 -0.090 0.000 1.457 167 I CA -0.762 60.470 61.300 -0.112 0.000 0.921 167 I CB 0.522 38.429 38.000 -0.153 0.000 1.845 167 I HN -0.054 8.156 8.210 0.000 0.000 0.535 168 K N 1.669 122.028 120.400 -0.069 0.000 2.097 168 K HA -0.046 4.269 4.320 -0.009 0.000 0.206 168 K C 0.652 177.239 176.600 -0.022 0.000 1.049 168 K CA 1.846 58.103 56.287 -0.049 0.000 0.933 168 K CB 0.114 32.592 32.500 -0.037 0.000 0.717 168 K HN 0.703 8.953 8.250 0.000 0.000 0.442 169 T N -1.477 113.068 114.554 -0.016 0.000 2.932 169 T HA 0.242 4.587 4.350 -0.009 0.000 0.289 169 T C -0.697 174.005 174.700 0.003 0.000 1.039 169 T CA -1.101 61.001 62.100 0.004 0.000 1.024 169 T CB 1.930 70.801 68.868 0.005 0.000 1.090 169 T HN 0.092 8.332 8.240 0.000 0.000 0.496 170 K N 0.334 120.746 120.400 0.021 0.000 2.504 170 K HA 0.248 4.563 4.320 -0.009 0.000 0.278 170 K C 1.457 178.052 176.600 -0.009 0.000 1.025 170 K CA 1.501 57.795 56.287 0.012 0.000 1.093 170 K CB -0.752 31.762 32.500 0.022 0.000 0.873 170 K HN 1.159 9.409 8.250 0.000 0.000 0.483 171 G N 3.127 111.914 108.800 -0.022 0.000 2.217 171 G HA2 -0.281 3.673 3.960 -0.009 0.000 0.246 171 G HA3 -0.281 3.673 3.960 -0.009 0.000 0.246 171 G C -0.322 174.561 174.900 -0.029 0.000 0.990 171 G CA 0.269 45.353 45.100 -0.025 0.000 0.627 171 G HN 0.614 8.904 8.290 0.000 0.000 0.522 172 K N 1.320 121.701 120.400 -0.031 0.000 2.270 172 K HA 0.524 4.839 4.320 -0.009 0.000 0.276 172 K C 0.533 177.100 176.600 -0.054 0.000 1.023 172 K CA 0.592 56.854 56.287 -0.040 0.000 0.955 172 K CB 1.214 33.689 32.500 -0.043 0.000 0.975 172 K HN 0.529 8.779 8.250 0.000 0.000 0.471 173 S N 0.332 116.000 115.700 -0.055 0.000 2.667 173 S HA 0.855 5.320 4.470 -0.009 0.000 0.292 173 S C -1.235 173.328 174.600 -0.062 0.000 1.126 173 S CA -0.975 57.185 58.200 -0.067 0.000 0.881 173 S CB 2.162 65.328 63.200 -0.055 0.000 1.132 173 S HN 0.664 8.974 8.310 0.000 0.000 0.492 174 A N 0.845 123.624 122.820 -0.067 0.000 2.547 174 A HA 0.641 4.956 4.320 -0.009 0.000 0.297 174 A C -1.445 176.141 177.584 0.002 0.000 1.056 174 A CA -0.840 51.175 52.037 -0.036 0.000 0.688 174 A CB 0.873 19.844 19.000 -0.048 0.000 1.282 174 A HN 0.792 8.942 8.150 0.000 0.000 0.400 175 D N 0.549 120.963 120.400 0.023 0.000 2.525 175 D HA 0.243 4.878 4.640 -0.009 0.000 0.235 175 D C -0.992 175.395 176.300 0.144 0.000 1.137 175 D CA 1.507 55.535 54.000 0.048 0.000 0.868 175 D CB 0.356 41.170 40.800 0.024 0.000 1.180 175 D HN 0.354 8.724 8.370 0.000 0.000 0.465 176 F N 1.908 121.803 119.950 -0.092 0.000 2.971 176 F HA 0.096 4.626 4.527 0.004 0.000 0.373 176 F C -0.201 175.551 175.800 -0.079 0.000 1.288 176 F CA -0.590 57.353 58.000 -0.093 0.000 1.204 176 F CB 0.470 39.378 39.000 -0.153 0.000 1.852 176 F HN 0.116 8.416 8.300 0.000 0.000 0.624 177 T N -0.683 113.760 114.554 -0.185 0.000 2.902 177 T HA 0.331 4.676 4.350 -0.009 0.000 0.280 177 T C 0.475 175.050 174.700 -0.209 0.000 0.992 177 T CA -0.438 61.565 62.100 -0.162 0.000 1.015 177 T CB 1.355 70.173 68.868 -0.083 0.000 1.044 177 T HN 0.466 8.706 8.240 0.000 0.000 0.520 178 N N -0.758 117.872 118.700 -0.116 0.000 2.776 178 N HA -0.173 4.562 4.740 -0.009 0.000 0.250 178 N C -0.886 174.574 175.510 -0.083 0.000 1.112 178 N CA 0.392 53.395 53.050 -0.078 0.000 0.733 178 N CB -1.513 36.929 38.487 -0.073 0.000 1.097 178 N HN 0.726 9.106 8.380 0.000 0.000 0.558 179 F N 2.106 121.926 119.950 -0.217 0.000 2.411 179 F HA 0.317 4.844 4.527 0.000 0.000 0.350 179 F C 0.373 176.248 175.800 0.125 0.000 1.114 179 F CA -0.903 57.026 58.000 -0.117 0.000 1.135 179 F CB 0.770 39.678 39.000 -0.153 0.000 1.120 179 F HN -0.122 8.178 8.300 0.000 0.000 0.495 180 D N 8.637 128.530 120.400 -0.844 0.000 2.412 180 D HA 0.263 4.898 4.640 -0.009 0.000 0.224 180 D C -1.809 174.165 176.300 -0.543 0.000 1.093 180 D CA -2.401 51.329 54.000 -0.451 0.000 0.850 180 D CB 1.633 42.261 40.800 -0.286 0.000 1.046 180 D HN 0.308 8.678 8.370 0.000 0.000 0.507 181 P HA -0.036 4.384 4.420 0.000 0.000 0.237 181 P C 1.040 178.395 177.300 0.091 0.000 1.178 181 P CA 0.257 63.402 63.100 0.075 0.000 0.766 181 P CB 0.451 32.162 31.700 0.018 0.000 0.876 182 R N -0.004 120.553 120.500 0.096 0.000 2.159 182 R HA -0.036 4.299 4.340 -0.009 0.000 0.237 182 R C 2.431 178.750 176.300 0.032 0.000 1.131 182 R CA 1.371 57.531 56.100 0.101 0.000 0.982 182 R CB -1.068 29.268 30.300 0.061 0.000 0.868 182 R HN 0.234 8.504 8.270 0.000 0.000 0.453 183 G N 0.300 109.086 108.800 -0.023 0.000 2.776 183 G HA2 -0.092 3.863 3.960 -0.009 0.000 0.209 183 G HA3 -0.092 3.863 3.960 -0.009 0.000 0.209 183 G C 1.062 176.009 174.900 0.079 0.000 1.145 183 G CA 0.152 45.256 45.100 0.006 0.000 0.791 183 G HN 0.186 8.476 8.290 0.000 0.000 0.530 184 L N -0.099 121.178 121.223 0.090 0.000 2.728 184 L HA 0.406 4.741 4.340 -0.009 0.000 0.238 184 L C 0.232 177.141 176.870 0.064 0.000 1.143 184 L CA -0.157 54.745 54.840 0.104 0.000 0.937 184 L CB 0.219 42.317 42.059 0.065 0.000 1.225 184 L HN 0.046 8.276 8.230 0.000 0.000 0.507 185 L N 1.899 123.150 121.223 0.047 0.000 2.307 185 L HA 0.436 4.771 4.340 -0.009 0.000 0.282 185 L C -1.919 174.958 176.870 0.012 0.000 1.051 185 L CA -1.828 53.024 54.840 0.020 0.000 0.804 185 L CB 1.153 43.211 42.059 -0.003 0.000 1.197 185 L HN -0.162 8.068 8.230 0.000 0.000 0.431 186 P HA 0.116 4.536 4.420 0.000 0.000 0.277 186 P C 0.176 177.464 177.300 -0.020 0.000 1.276 186 P CA -0.376 62.722 63.100 -0.002 0.000 0.788 186 P CB 1.161 32.858 31.700 -0.005 0.000 1.114 187 E N -0.465 119.721 120.200 -0.024 0.000 2.023 187 E HA -0.101 4.244 4.350 -0.009 0.000 0.196 187 E C 0.841 177.412 176.600 -0.049 0.000 1.003 187 E CA 1.195 57.575 56.400 -0.033 0.000 0.809 187 E CB -0.322 29.358 29.700 -0.033 0.000 0.755 187 E HN 0.362 8.722 8.360 0.000 0.000 0.449 188 S N -0.399 115.261 115.700 -0.065 0.000 2.562 188 S HA 0.194 4.659 4.470 -0.009 0.000 0.275 188 S C 0.415 174.965 174.600 -0.083 0.000 1.281 188 S CA -0.500 57.647 58.200 -0.089 0.000 1.045 188 S CB 0.602 63.718 63.200 -0.140 0.000 0.962 188 S HN 0.188 8.498 8.310 0.000 0.000 0.503 189 L N 2.900 124.084 121.223 -0.065 0.000 2.741 189 L HA 0.307 4.642 4.340 -0.009 0.000 0.237 189 L C -0.149 176.743 176.870 0.036 0.000 1.178 189 L CA -0.361 54.467 54.840 -0.021 0.000 0.973 189 L CB -0.134 41.915 42.059 -0.017 0.000 1.255 189 L HN 0.516 8.746 8.230 0.000 0.000 0.498 190 D N 1.390 121.724 120.400 -0.110 0.000 2.472 190 D HA 0.154 4.789 4.640 -0.009 0.000 0.237 190 D C -0.432 175.770 176.300 -0.163 0.000 1.141 190 D CA 0.826 54.691 54.000 -0.225 0.000 0.875 190 D CB 0.542 40.960 40.800 -0.637 0.000 1.192 190 D HN 0.148 8.518 8.370 0.000 0.000 0.450 191 Y N -1.236 119.020 120.300 -0.074 0.000 2.597 191 Y HA 0.601 5.146 4.550 -0.008 0.000 0.340 191 Y C -1.210 174.691 175.900 0.003 0.000 1.097 191 Y CA -1.489 56.571 58.100 -0.065 0.000 1.037 191 Y CB 0.944 39.406 38.460 0.002 0.000 1.305 191 Y HN 0.232 8.512 8.280 0.000 0.000 0.463 192 W N 0.873 122.442 121.300 0.447 0.000 2.509 192 W HA 0.642 5.296 4.660 -0.010 0.000 0.351 192 W C -0.573 176.208 176.519 0.437 0.000 1.107 192 W CA -0.685 56.870 57.345 0.349 0.000 1.264 192 W CB 2.207 31.837 29.460 0.284 0.000 1.312 192 W HN 0.716 8.896 8.180 0.000 0.000 0.608 193 T N 1.873 116.796 114.554 0.614 0.000 2.923 193 T HA 0.623 4.968 4.350 -0.009 0.000 0.311 193 T C -1.741 173.217 174.700 0.431 0.000 1.183 193 T CA -0.263 62.108 62.100 0.451 0.000 1.020 193 T CB 1.329 70.404 68.868 0.345 0.000 1.165 193 T HN 0.338 8.578 8.240 0.000 0.000 0.482 194 Y N 1.648 122.093 120.300 0.241 0.000 2.677 194 Y HA 0.784 5.328 4.550 -0.009 0.000 0.334 194 Y C -3.301 172.735 175.900 0.227 0.000 1.196 194 Y CA -2.498 55.722 58.100 0.199 0.000 1.059 194 Y CB 0.627 39.189 38.460 0.171 0.000 1.315 194 Y HN 0.401 8.681 8.280 0.000 0.000 0.455 195 P HA 0.559 4.979 4.420 0.000 0.000 0.292 195 P C -0.500 176.885 177.300 0.142 0.000 1.287 195 P CA 0.279 63.411 63.100 0.053 0.000 0.800 195 P CB 2.066 33.834 31.700 0.114 0.000 0.945 196 G N 1.470 110.360 108.800 0.151 0.000 2.896 196 G HA2 0.628 4.583 3.960 -0.009 0.000 0.247 196 G HA3 0.628 4.583 3.960 -0.009 0.000 0.247 196 G C -1.064 174.023 174.900 0.311 0.000 1.187 196 G CA -0.361 44.948 45.100 0.347 0.000 0.837 196 G HN 0.652 8.942 8.290 0.000 0.000 0.559 197 S N -1.313 114.650 115.700 0.438 0.000 2.697 197 S HA 0.723 5.188 4.470 -0.009 0.000 0.289 197 S C -0.418 174.416 174.600 0.390 0.000 1.149 197 S CA -0.767 57.609 58.200 0.293 0.000 0.850 197 S CB 1.135 64.453 63.200 0.197 0.000 1.151 197 S HN 0.670 8.980 8.310 0.000 0.000 0.491 198 L N 1.579 122.930 121.223 0.212 0.000 2.483 198 L HA 0.215 4.550 4.340 -0.009 0.000 0.276 198 L C 1.769 178.770 176.870 0.218 0.000 1.213 198 L CA 0.144 55.116 54.840 0.220 0.000 0.843 198 L CB 0.346 42.450 42.059 0.076 0.000 1.107 198 L HN 1.092 9.322 8.230 0.000 0.000 0.487 199 T N -3.463 111.264 114.554 0.288 0.000 3.086 199 T HA 0.075 4.420 4.350 -0.009 0.000 0.250 199 T C 0.566 175.361 174.700 0.158 0.000 1.074 199 T CA 0.115 62.357 62.100 0.237 0.000 0.988 199 T CB -0.231 68.792 68.868 0.259 0.000 0.988 199 T HN 0.734 8.974 8.240 0.000 0.000 0.530 200 T N -0.792 113.709 114.554 -0.089 0.000 2.924 200 T HA 0.638 4.983 4.350 -0.009 0.000 0.291 200 T C -3.316 170.773 174.700 -1.018 0.000 1.045 200 T CA -2.548 59.142 62.100 -0.684 0.000 1.015 200 T CB 1.569 70.120 68.868 -0.528 0.000 1.103 200 T HN -0.225 8.015 8.240 0.000 0.000 0.496 201 P HA 0.105 4.525 4.420 0.000 0.000 0.264 201 P C -1.720 174.932 177.300 -1.081 0.000 1.179 201 P CA -0.869 61.103 63.100 -1.880 0.000 0.763 201 P CB 0.063 29.947 31.700 -3.027 0.000 0.806 202 P HA 0.120 4.540 4.420 0.000 0.000 0.255 202 P C 0.181 177.244 177.300 -0.395 0.000 1.301 202 P CA 0.157 62.859 63.100 -0.664 0.000 0.817 202 P CB -0.033 31.562 31.700 -0.175 0.000 1.259 203 L N -2.850 118.146 121.223 -0.379 0.000 4.232 203 L HA -0.212 4.122 4.340 -0.009 0.000 0.415 203 L C 0.328 177.174 176.870 -0.039 0.000 1.168 203 L CA 0.086 54.827 54.840 -0.166 0.000 0.966 203 L CB -2.264 39.722 42.059 -0.122 0.000 2.052 203 L HN 0.088 8.318 8.230 0.000 0.000 0.887 204 L N 0.789 121.984 121.223 -0.047 0.000 2.485 204 L HA 0.012 4.347 4.340 -0.009 0.000 0.275 204 L C 1.258 178.139 176.870 0.018 0.000 1.207 204 L CA 0.440 55.269 54.840 -0.017 0.000 0.855 204 L CB 0.211 42.241 42.059 -0.048 0.000 1.114 204 L HN 0.131 8.361 8.230 0.000 0.000 0.485 205 E N 2.403 122.617 120.200 0.025 0.000 2.110 205 E HA 0.070 4.415 4.350 -0.009 0.000 0.300 205 E C 0.162 176.776 176.600 0.024 0.000 1.278 205 E CA -0.230 56.200 56.400 0.050 0.000 1.365 205 E CB 0.056 29.792 29.700 0.060 0.000 1.283 205 E HN 0.714 9.074 8.360 0.000 0.000 0.490 206 C N -1.321 117.985 119.300 0.009 0.000 3.512 206 C HA 0.409 4.864 4.460 -0.009 0.000 0.276 206 C C 0.331 175.307 174.990 -0.024 0.000 1.592 206 C CA -0.649 58.356 59.018 -0.022 0.000 1.803 206 C CB -0.903 26.793 27.740 -0.074 0.000 2.996 206 C HN 0.139 8.369 8.230 0.000 0.000 0.590 207 V N 2.241 122.130 119.914 -0.040 0.000 2.417 207 V HA 0.444 4.559 4.120 -0.009 0.000 0.291 207 V C 0.123 176.081 176.094 -0.226 0.000 1.024 207 V CA 0.325 62.506 62.300 -0.198 0.000 0.861 207 V CB 1.785 33.377 31.823 -0.384 0.000 0.985 207 V HN 0.447 8.637 8.190 0.000 0.000 0.436 208 T N 4.708 119.099 114.554 -0.272 0.000 2.723 208 T HA 0.249 4.594 4.350 -0.009 0.000 0.297 208 T C -0.440 173.994 174.700 -0.444 0.000 0.925 208 T CA 0.023 61.958 62.100 -0.276 0.000 1.030 208 T CB 0.014 68.740 68.868 -0.237 0.000 0.905 208 T HN 0.556 8.796 8.240 0.000 0.000 0.502 209 W N 3.465 124.538 121.300 -0.380 0.000 2.315 209 W HA 0.561 5.213 4.660 -0.013 0.000 0.316 209 W C 0.017 176.395 176.519 -0.236 0.000 1.211 209 W CA -0.719 56.408 57.345 -0.363 0.000 1.201 209 W CB 0.557 29.639 29.460 -0.629 0.000 1.184 209 W HN 0.458 8.638 8.180 0.000 0.000 0.544 210 I N 4.329 124.919 120.570 0.034 0.000 2.468 210 I HA 0.231 4.396 4.170 -0.009 0.000 0.284 210 I C -0.926 175.263 176.117 0.120 0.000 1.038 210 I CA -0.913 60.390 61.300 0.004 0.000 1.083 210 I CB 1.203 39.028 38.000 -0.291 0.000 1.223 210 I HN -0.099 8.111 8.210 0.000 0.000 0.443 211 V N 6.996 127.062 119.914 0.254 0.000 2.357 211 V HA 0.375 4.490 4.120 -0.009 0.000 0.284 211 V C 0.321 176.573 176.094 0.264 0.000 1.018 211 V CA -0.623 61.791 62.300 0.189 0.000 0.841 211 V CB 1.725 33.640 31.823 0.153 0.000 0.991 211 V HN 0.505 8.695 8.190 0.000 0.000 0.437 212 L N 4.227 125.500 121.223 0.083 0.000 2.453 212 L HA 0.202 4.537 4.340 -0.009 0.000 0.272 212 L C 1.720 178.638 176.870 0.079 0.000 1.182 212 L CA 0.099 54.968 54.840 0.048 0.000 0.858 212 L CB 0.477 42.528 42.059 -0.012 0.000 1.120 212 L HN 0.724 8.954 8.230 0.000 0.000 0.474 213 K N 2.428 122.709 120.400 -0.199 0.000 2.097 213 K HA -0.101 4.214 4.320 -0.009 0.000 0.205 213 K C 0.688 177.290 176.600 0.003 0.000 1.050 213 K CA 0.961 57.073 56.287 -0.291 0.000 0.938 213 K CB 0.227 32.181 32.500 -0.909 0.000 0.718 213 K HN 0.623 8.873 8.250 0.000 0.000 0.442 214 E N 1.936 122.100 120.200 -0.060 0.000 2.130 214 E HA 0.177 4.522 4.350 -0.009 0.000 0.284 214 E C -2.453 174.178 176.600 0.052 0.000 1.018 214 E CA -2.814 53.580 56.400 -0.010 0.000 0.817 214 E CB 1.084 30.747 29.700 -0.061 0.000 1.078 214 E HN 0.068 8.428 8.360 0.000 0.000 0.396 215 P HA 0.108 4.528 4.420 0.000 0.000 0.274 215 P C -0.426 176.916 177.300 0.070 0.000 1.231 215 P CA -0.127 63.011 63.100 0.063 0.000 0.790 215 P CB 0.477 32.194 31.700 0.029 0.000 0.951 216 I N -1.407 119.211 120.570 0.079 0.000 2.677 216 I HA 0.596 4.761 4.170 -0.009 0.000 0.305 216 I C -0.034 176.138 176.117 0.091 0.000 0.988 216 I CA -0.730 60.618 61.300 0.080 0.000 1.260 216 I CB 1.450 39.505 38.000 0.092 0.000 1.410 216 I HN 0.238 8.448 8.210 0.000 0.000 0.523 217 S N 4.056 119.799 115.700 0.072 0.000 2.472 217 S HA 0.780 5.245 4.470 -0.009 0.000 0.303 217 S C -0.368 174.255 174.600 0.039 0.000 1.099 217 S CA -0.607 57.630 58.200 0.062 0.000 1.077 217 S CB 1.605 64.836 63.200 0.051 0.000 1.031 217 S HN 0.933 9.243 8.310 0.000 0.000 0.487 218 V N 0.080 120.002 119.914 0.013 0.000 2.960 218 V HA 0.909 5.023 4.120 -0.009 0.000 0.315 218 V C 0.122 176.178 176.094 -0.063 0.000 1.087 218 V CA -0.719 61.557 62.300 -0.040 0.000 0.982 218 V CB 1.319 33.079 31.823 -0.105 0.000 1.039 218 V HN 1.176 9.366 8.190 0.000 0.000 0.437 219 S N 1.519 117.169 115.700 -0.084 0.000 2.632 219 S HA 0.286 4.751 4.470 -0.009 0.000 0.267 219 S C 1.419 175.952 174.600 -0.110 0.000 1.276 219 S CA 0.139 58.294 58.200 -0.076 0.000 0.998 219 S CB 1.142 64.305 63.200 -0.061 0.000 0.953 219 S HN 1.884 10.194 8.310 0.000 0.000 0.547 220 S N 1.004 116.656 115.700 -0.080 0.000 2.383 220 S HA -0.217 4.248 4.470 -0.009 0.000 0.229 220 S C 1.355 175.889 174.600 -0.111 0.000 1.030 220 S CA 1.477 59.626 58.200 -0.084 0.000 1.002 220 S CB -0.889 62.282 63.200 -0.049 0.000 0.829 220 S HN 0.818 9.128 8.310 0.000 0.000 0.467 221 E N 1.504 121.645 120.200 -0.098 0.000 2.106 221 E HA -0.070 4.275 4.350 -0.009 0.000 0.192 221 E C 2.437 178.943 176.600 -0.158 0.000 0.984 221 E CA 1.278 57.617 56.400 -0.101 0.000 0.806 221 E CB -0.285 29.371 29.700 -0.072 0.000 0.750 221 E HN 0.681 9.041 8.360 0.000 0.000 0.458 222 Q N 0.018 119.697 119.800 -0.202 0.000 2.046 222 Q HA -0.131 4.204 4.340 -0.009 0.000 0.200 222 Q C 2.495 178.160 176.000 -0.558 0.000 0.975 222 Q CA 1.816 57.434 55.803 -0.309 0.000 0.836 222 Q CB -0.186 28.374 28.738 -0.297 0.000 0.896 222 Q HN 0.397 8.667 8.270 0.000 0.000 0.428 223 V N -1.374 118.201 119.914 -0.565 0.000 2.427 223 V HA -0.219 3.896 4.120 -0.009 0.000 0.248 223 V C 2.087 177.934 176.094 -0.411 0.000 1.051 223 V CA 1.352 63.221 62.300 -0.718 0.000 1.048 223 V CB -0.869 30.706 31.823 -0.413 0.000 0.666 223 V HN 0.266 8.456 8.190 0.000 0.000 0.456 224 L N -0.091 120.994 121.223 -0.231 0.000 2.051 224 L HA -0.243 4.092 4.340 -0.009 0.000 0.214 224 L C 2.933 179.739 176.870 -0.107 0.000 1.076 224 L CA 2.476 57.245 54.840 -0.119 0.000 0.758 224 L CB -0.633 41.378 42.059 -0.079 0.000 0.890 224 L HN 0.331 8.561 8.230 0.000 0.000 0.433 225 K N -1.110 119.202 120.400 -0.147 0.000 2.148 225 K HA -0.126 4.189 4.320 -0.009 0.000 0.204 225 K C 2.033 178.609 176.600 -0.041 0.000 1.050 225 K CA 0.982 57.215 56.287 -0.090 0.000 0.942 225 K CB -0.138 32.304 32.500 -0.097 0.000 0.724 225 K HN 0.068 8.318 8.250 0.000 0.000 0.446 226 F N 1.561 121.258 119.950 -0.421 0.000 2.126 226 F HA -0.145 4.385 4.527 0.004 0.000 0.299 226 F C 1.906 177.503 175.800 -0.338 0.000 1.096 226 F CA 1.266 58.855 58.000 -0.684 0.000 1.255 226 F CB -0.607 37.508 39.000 -1.475 0.000 0.997 226 F HN -0.040 8.260 8.300 0.000 0.000 0.479 227 R N 0.070 120.598 120.500 0.048 0.000 2.323 227 R HA -0.047 4.288 4.340 -0.009 0.000 0.198 227 R C 1.586 177.961 176.300 0.125 0.000 0.988 227 R CA 0.388 56.625 56.100 0.228 0.000 1.041 227 R CB -0.202 30.209 30.300 0.186 0.000 0.926 227 R HN 0.273 8.543 8.270 0.000 0.000 0.476 228 K N 0.286 120.719 120.400 0.054 0.000 2.426 228 K HA 0.122 4.437 4.320 -0.009 0.000 0.193 228 K C 0.449 177.058 176.600 0.015 0.000 1.028 228 K CA 0.040 56.340 56.287 0.023 0.000 1.047 228 K CB 0.282 32.777 32.500 -0.009 0.000 0.821 228 K HN 0.058 8.308 8.250 0.000 0.000 0.513 229 L N 1.128 122.373 121.223 0.036 0.000 2.474 229 L HA 0.006 4.341 4.340 -0.009 0.000 0.259 229 L C 0.169 177.032 176.870 -0.012 0.000 1.232 229 L CA 0.208 55.062 54.840 0.025 0.000 0.821 229 L CB 0.239 42.359 42.059 0.101 0.000 1.108 229 L HN 0.152 8.382 8.230 0.000 0.000 0.495 230 N N -0.646 118.040 118.700 -0.023 0.000 2.258 230 N HA 0.257 4.992 4.740 -0.009 0.000 0.299 230 N C -0.095 175.418 175.510 0.006 0.000 1.047 230 N CA -0.658 52.378 53.050 -0.024 0.000 0.814 230 N CB 1.675 40.177 38.487 0.025 0.000 1.413 230 N HN 0.350 8.730 8.380 0.000 0.000 0.478 231 F N 0.559 120.543 119.950 0.058 0.000 2.293 231 F HA -0.035 4.463 4.527 -0.048 0.000 0.297 231 F C 1.659 177.460 175.800 0.001 0.000 1.089 231 F CA 0.240 58.257 58.000 0.029 0.000 1.377 231 F CB -0.227 38.790 39.000 0.029 0.000 1.051 231 F HN 0.483 8.783 8.300 0.000 0.000 0.511 232 N N 0.789 119.616 118.700 0.210 0.000 2.399 232 N HA 0.168 4.903 4.740 -0.009 0.000 0.250 232 N C 0.479 176.026 175.510 0.061 0.000 1.272 232 N CA 0.282 53.394 53.050 0.103 0.000 0.928 232 N CB 0.739 39.276 38.487 0.083 0.000 1.158 232 N HN 0.097 8.477 8.380 0.000 0.000 0.463 233 G N -0.717 108.102 108.800 0.032 0.000 2.528 233 G HA2 0.121 4.076 3.960 -0.009 0.000 0.289 233 G HA3 0.121 4.076 3.960 -0.009 0.000 0.289 233 G C -0.393 174.515 174.900 0.014 0.000 1.192 233 G CA -0.580 44.530 45.100 0.017 0.000 0.921 233 G HN 0.750 9.040 8.290 0.000 0.000 0.512 234 E N -0.630 119.574 120.200 0.006 0.000 2.452 234 E HA 0.302 4.647 4.350 -0.009 0.000 0.261 234 E C 1.308 177.911 176.600 0.004 0.000 0.987 234 E CA 1.000 57.402 56.400 0.003 0.000 0.926 234 E CB 0.064 29.763 29.700 -0.003 0.000 0.934 234 E HN 1.089 9.449 8.360 0.000 0.000 0.452 235 G N 3.333 112.136 108.800 0.005 0.000 2.143 235 G HA2 -0.286 3.669 3.960 -0.009 0.000 0.248 235 G HA3 -0.286 3.669 3.960 -0.009 0.000 0.248 235 G C -0.090 174.814 174.900 0.008 0.000 0.991 235 G CA 0.492 45.595 45.100 0.005 0.000 0.689 235 G HN 0.577 8.867 8.290 0.000 0.000 0.522 236 E N -0.117 120.091 120.200 0.012 0.000 2.320 236 E HA 0.512 4.857 4.350 -0.009 0.000 0.264 236 E C -2.508 174.105 176.600 0.023 0.000 0.923 236 E CA -2.286 54.123 56.400 0.016 0.000 0.796 236 E CB 1.607 31.318 29.700 0.018 0.000 1.262 236 E HN 0.056 8.416 8.360 0.000 0.000 0.428 237 P HA -0.052 4.368 4.420 0.000 0.000 0.264 237 P C -0.933 176.394 177.300 0.045 0.000 1.193 237 P CA 0.267 63.385 63.100 0.030 0.000 0.763 237 P CB 0.352 32.069 31.700 0.028 0.000 0.810 238 E N 2.803 123.030 120.200 0.045 0.000 2.265 238 E HA 0.024 4.369 4.350 -0.009 0.000 0.272 238 E C -0.598 176.049 176.600 0.079 0.000 1.067 238 E CA 0.005 56.438 56.400 0.055 0.000 0.900 238 E CB 0.187 29.912 29.700 0.042 0.000 1.017 238 E HN 0.353 8.713 8.360 0.000 0.000 0.431 239 E N 4.845 125.114 120.200 0.116 0.000 2.220 239 E HA 0.210 4.555 4.350 -0.009 0.000 0.256 239 E C -0.565 176.134 176.600 0.165 0.000 0.881 239 E CA -0.550 55.953 56.400 0.172 0.000 0.766 239 E CB 1.264 31.107 29.700 0.239 0.000 1.187 239 E HN 0.546 8.906 8.360 0.000 0.000 0.419 240 L N 3.019 124.294 121.223 0.088 0.000 2.514 240 L HA 0.054 4.389 4.340 -0.009 0.000 0.280 240 L C 0.739 177.445 176.870 -0.273 0.000 1.223 240 L CA 0.529 55.359 54.840 -0.016 0.000 0.864 240 L CB 0.195 42.279 42.059 0.042 0.000 1.118 240 L HN 0.531 8.761 8.230 0.000 0.000 0.494 241 M N 5.907 125.212 119.600 -0.492 0.000 2.557 241 M HA 0.312 4.787 4.480 -0.009 0.000 0.328 241 M C -0.717 175.326 176.300 -0.428 0.000 1.423 241 M CA -0.319 54.272 55.300 -1.180 0.000 1.418 241 M CB -0.119 32.111 32.600 -0.616 0.000 1.381 241 M HN 0.447 8.737 8.290 0.000 0.000 0.467 242 V N 0.816 120.506 119.914 -0.374 0.000 3.078 242 V HA 0.585 4.700 4.120 -0.009 0.000 0.311 242 V C -0.387 175.686 176.094 -0.034 0.000 1.138 242 V CA -0.905 61.351 62.300 -0.075 0.000 1.007 242 V CB 1.965 33.882 31.823 0.157 0.000 1.045 242 V HN 0.731 8.921 8.190 0.000 0.000 0.432 243 D N 2.188 122.598 120.400 0.018 0.000 2.699 243 D HA -0.152 4.483 4.640 -0.009 0.000 0.239 243 D C 0.202 176.328 176.300 -0.291 0.000 1.136 243 D CA 1.375 55.429 54.000 0.089 0.000 0.668 243 D CB -0.948 39.911 40.800 0.098 0.000 1.060 243 D HN 1.071 9.441 8.370 0.000 0.000 0.429 244 N N 0.368 118.808 118.700 -0.433 0.000 2.994 244 N HA 0.070 4.805 4.740 -0.009 0.000 0.306 244 N C -0.123 175.074 175.510 -0.521 0.000 1.348 244 N CA -0.594 51.772 53.050 -1.141 0.000 1.109 244 N CB -0.432 37.572 38.487 -0.805 0.000 1.415 244 N HN 0.425 8.805 8.380 0.000 0.000 0.529 245 W N -0.463 120.713 121.300 -0.206 0.000 2.736 245 W HA 0.538 5.192 4.660 -0.010 0.000 0.335 245 W C -0.468 176.201 176.519 0.251 0.000 1.059 245 W CA -1.093 56.323 57.345 0.118 0.000 1.226 245 W CB 0.746 30.258 29.460 0.086 0.000 1.416 245 W HN -0.118 8.062 8.180 0.000 0.000 0.505 246 R N 3.454 124.204 120.500 0.416 0.000 2.349 246 R HA 0.409 4.744 4.340 -0.009 0.000 0.299 246 R C -2.206 174.239 176.300 0.241 0.000 1.027 246 R CA -1.389 54.817 56.100 0.177 0.000 0.958 246 R CB 1.136 31.561 30.300 0.208 0.000 1.047 246 R HN 0.117 8.387 8.270 0.000 0.000 0.468 247 P HA 0.062 4.482 4.420 0.000 0.000 0.273 247 P C -1.085 176.264 177.300 0.081 0.000 1.250 247 P CA -0.296 62.948 63.100 0.240 0.000 0.793 247 P CB 0.579 32.347 31.700 0.112 0.000 1.011 248 A N 1.623 124.475 122.820 0.054 0.000 2.531 248 A HA 0.136 4.451 4.320 -0.009 0.000 0.236 248 A C 0.242 177.801 177.584 -0.042 0.000 1.062 248 A CA 0.312 52.327 52.037 -0.037 0.000 0.760 248 A CB -0.456 18.516 19.000 -0.046 0.000 0.995 248 A HN 0.405 8.555 8.150 0.000 0.000 0.501 249 Q N 0.757 120.520 119.800 -0.063 0.000 2.297 249 Q HA 0.470 4.805 4.340 -0.009 0.000 0.269 249 Q C -2.532 173.439 176.000 -0.049 0.000 1.051 249 Q CA -2.095 53.681 55.803 -0.044 0.000 0.869 249 Q CB 0.452 29.177 28.738 -0.021 0.000 1.346 249 Q HN 0.467 8.737 8.270 0.000 0.000 0.457 250 P HA -0.031 4.389 4.420 0.000 0.000 0.264 250 P C 0.561 177.841 177.300 -0.033 0.000 1.193 250 P CA -0.030 63.049 63.100 -0.034 0.000 0.763 250 P CB 0.456 32.142 31.700 -0.023 0.000 0.810 251 L N 4.038 125.231 121.223 -0.049 0.000 2.201 251 L HA -0.109 4.226 4.340 -0.009 0.000 0.212 251 L C 1.064 177.930 176.870 -0.007 0.000 1.105 251 L CA 1.483 56.292 54.840 -0.052 0.000 0.775 251 L CB -0.834 41.178 42.059 -0.079 0.000 0.913 251 L HN 0.406 8.636 8.230 0.000 0.000 0.440 252 K N -1.018 119.380 120.400 -0.004 0.000 2.086 252 K HA -0.368 3.947 4.320 -0.009 0.000 0.169 252 K C 0.372 176.983 176.600 0.019 0.000 1.526 252 K CA 1.667 57.961 56.287 0.011 0.000 0.602 252 K CB -1.198 31.316 32.500 0.023 0.000 0.605 252 K HN 0.279 8.529 8.250 0.000 0.000 0.921 253 N N 2.141 120.860 118.700 0.031 0.000 3.245 253 N HA 0.102 4.837 4.740 -0.009 0.000 0.296 253 N C -1.095 174.446 175.510 0.052 0.000 1.254 253 N CA 0.264 53.335 53.050 0.035 0.000 1.190 253 N CB 0.041 38.548 38.487 0.033 0.000 1.460 253 N HN 0.217 8.597 8.380 0.000 0.000 0.538 254 R N 0.192 120.724 120.500 0.053 0.000 2.808 254 R HA 0.383 4.718 4.340 -0.009 0.000 0.272 254 R C -1.229 175.109 176.300 0.062 0.000 0.995 254 R CA -0.916 55.232 56.100 0.080 0.000 0.917 254 R CB 1.478 31.853 30.300 0.125 0.000 1.217 254 R HN 0.161 8.431 8.270 0.000 0.000 0.471 255 Q N 1.803 121.656 119.800 0.089 0.000 2.330 255 Q HA 0.419 4.754 4.340 -0.009 0.000 0.269 255 Q C -1.361 174.712 176.000 0.123 0.000 1.022 255 Q CA -0.370 55.479 55.803 0.077 0.000 0.796 255 Q CB 1.383 30.163 28.738 0.070 0.000 1.271 255 Q HN 0.519 8.789 8.270 0.000 0.000 0.450 256 I N 3.635 124.261 120.570 0.094 0.000 2.395 256 I HA 0.306 4.471 4.170 -0.009 0.000 0.289 256 I C 0.158 176.378 176.117 0.172 0.000 1.023 256 I CA -0.402 60.994 61.300 0.159 0.000 1.350 256 I CB 0.965 38.995 38.000 0.050 0.000 1.409 256 I HN 0.417 8.627 8.210 0.000 0.000 0.507 257 K N 4.909 125.445 120.400 0.228 0.000 2.156 257 K HA 0.800 5.115 4.320 -0.009 0.000 0.254 257 K C -0.764 175.955 176.600 0.199 0.000 0.950 257 K CA -0.756 55.629 56.287 0.162 0.000 0.849 257 K CB 2.218 34.788 32.500 0.116 0.000 1.100 257 K HN 0.688 8.938 8.250 0.000 0.000 0.434 258 A N 0.699 123.542 122.820 0.037 0.000 2.342 258 A HA 0.293 4.608 4.320 -0.009 0.000 0.323 258 A C 0.565 177.980 177.584 -0.283 0.000 1.125 258 A CA -0.659 51.250 52.037 -0.213 0.000 0.785 258 A CB 1.065 19.738 19.000 -0.544 0.000 1.221 258 A HN 0.766 8.916 8.150 0.000 0.000 0.463 259 S N 0.790 116.220 115.700 -0.449 0.000 2.603 259 S HA 0.330 4.795 4.470 -0.009 0.000 0.220 259 S C 0.137 174.778 174.600 0.068 0.000 0.967 259 S CA 0.327 58.314 58.200 -0.356 0.000 0.920 259 S CB -0.853 61.765 63.200 -0.970 0.000 0.773 259 S HN 1.203 9.513 8.310 0.000 0.000 0.529 260 F N -0.954 118.966 119.950 -0.049 0.000 2.664 260 F HA 0.786 5.308 4.527 -0.009 0.000 0.317 260 F C -0.177 175.428 175.800 -0.326 0.000 1.108 260 F CA -1.649 56.252 58.000 -0.165 0.000 0.957 260 F CB 0.630 39.483 39.000 -0.244 0.000 1.365 260 F HN -0.080 8.220 8.300 0.000 0.000 0.475 261 K N 0.000 120.183 120.400 -0.362 0.000 2.780 261 K HA 0.000 4.315 4.320 -0.009 0.000 0.191 261 K CA 0.000 56.086 56.287 -0.335 0.000 0.838 261 K CB 0.000 32.532 32.500 0.053 0.000 1.064 261 K HN 0.000 8.250 8.250 0.000 0.000 0.543