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 3lgi_1_A DATA FIRST_RESID 37 DATA SEQUENCE FDSTDETPAS YNLAVRRAAP AVVNVYNRGL NTNSHNQLEI RTLGSGVIMD DATA SEQUENCE QRGYIITNKH VINDADQIIV ALQDGRVFEA LLVGSDSLTD LAVLKINATG DATA SEQUENCE GLPTIPINAR RVPHIGDVVL AIGNPYNLGQ TITQGIISAT GRIGLNPTGR DATA SEQUENCE QNFLQTDASI NHGNSGGALV NSLGELMGIN TLSFDKSNDG ETPEGIGFAI DATA SEQUENCE PFQLATKIMD KLIRDGRVIR 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 37 F HA 0.000 4.525 4.527 -0.003 0.000 0.279 37 F C 0.000 175.798 175.800 -0.003 0.000 0.967 37 F CA 0.000 57.998 58.000 -0.003 0.000 1.383 37 F CB 0.000 38.998 39.000 -0.003 0.000 1.145 38 D N 1.622 122.109 120.400 0.144 0.000 2.575 38 D HA 0.272 4.856 4.640 -0.093 0.000 0.250 38 D C -0.329 176.076 176.300 0.176 0.000 1.279 38 D CA 0.129 54.153 54.000 0.040 0.000 0.925 38 D CB 1.647 42.448 40.800 0.001 0.000 1.261 38 D HN 0.167 8.696 8.370 0.265 0.000 0.567 39 S N 4.187 120.014 115.700 0.211 0.000 2.597 39 S HA 0.208 4.940 4.470 0.171 -0.159 0.224 39 S C 1.617 176.271 174.600 0.090 0.000 0.955 39 S CA 0.168 58.481 58.200 0.188 0.000 0.933 39 S CB 0.828 64.179 63.200 0.252 0.000 0.788 39 S HN 0.229 8.641 8.310 0.170 0.000 0.488 40 T N 1.696 116.285 114.554 0.058 0.000 2.759 40 T HA -0.260 4.108 4.350 0.031 0.000 0.269 40 T C 0.581 175.297 174.700 0.026 0.000 1.042 40 T CA 2.863 64.982 62.100 0.031 0.000 1.140 40 T CB 0.070 68.947 68.868 0.014 0.000 0.864 40 T HN -0.362 8.119 8.240 0.052 -0.209 0.455 41 D N -0.834 119.583 120.400 0.028 0.000 2.339 41 D HA 0.234 4.882 4.640 0.014 0.000 0.217 41 D C -0.357 175.954 176.300 0.017 0.000 1.050 41 D CA -0.054 53.957 54.000 0.019 0.000 0.856 41 D CB 0.248 41.058 40.800 0.017 0.000 0.922 41 D HN 0.426 8.803 8.370 0.035 0.013 0.518 42 E N -0.513 119.702 120.200 0.025 0.000 2.374 42 E HA 0.019 4.374 4.350 0.009 0.000 0.260 42 E C -0.409 176.194 176.600 0.006 0.000 1.101 42 E CA 0.176 56.585 56.400 0.015 0.000 0.907 42 E CB 0.867 30.581 29.700 0.023 0.000 1.014 42 E HN -0.693 7.519 8.360 0.037 0.170 0.427 43 T N 3.851 118.401 114.554 -0.007 0.000 2.770 43 T HA 0.267 4.610 4.350 -0.012 0.000 0.283 43 T C -1.894 172.790 174.700 -0.027 0.000 0.988 43 T CA -2.164 59.926 62.100 -0.017 0.000 0.957 43 T CB 0.269 69.122 68.868 -0.024 0.000 0.930 43 T HN 0.054 8.287 8.240 -0.011 0.000 0.443 44 P HA 0.046 4.447 4.420 -0.032 0.000 0.268 44 P C -0.284 176.977 177.300 -0.066 0.000 1.205 44 P CA -0.325 62.753 63.100 -0.036 0.000 0.771 44 P CB 0.421 32.106 31.700 -0.024 0.000 0.858 45 A N 3.300 126.071 122.820 -0.081 0.000 2.511 45 A HA -0.028 4.197 4.320 -0.158 0.000 0.242 45 A C -0.458 177.016 177.584 -0.184 0.000 1.069 45 A CA 0.874 52.825 52.037 -0.142 0.000 0.763 45 A CB -0.241 18.683 19.000 -0.127 0.000 1.001 45 A HN 0.348 8.458 8.150 -0.066 0.000 0.498 46 S N 1.678 117.193 115.700 -0.308 0.000 2.537 46 S HA 0.096 4.441 4.470 -0.208 0.000 0.271 46 S C -1.048 173.272 174.600 -0.466 0.000 1.148 46 S CA -0.141 57.893 58.200 -0.276 0.000 0.868 46 S CB 0.872 64.001 63.200 -0.117 0.000 1.115 46 S HN -0.141 7.949 8.310 -0.366 0.000 0.461 47 Y N 2.418 122.717 120.300 -0.001 0.000 2.720 47 Y HA 0.187 4.736 4.550 -0.003 0.000 0.277 47 Y C 0.070 175.969 175.900 -0.002 0.000 1.144 47 Y CA -0.739 57.359 58.100 -0.002 0.000 1.221 47 Y CB -0.161 38.297 38.460 -0.003 0.000 1.163 47 Y HN 0.222 8.523 8.280 0.036 0.000 0.537 48 N N 1.649 120.390 118.700 0.069 0.000 2.223 48 N HA -0.343 4.434 4.740 0.062 0.000 0.185 48 N C 1.066 176.602 175.510 0.043 0.000 1.016 48 N CA 3.312 56.392 53.050 0.050 0.000 0.863 48 N CB 0.291 38.790 38.487 0.020 0.000 0.983 48 N HN -0.434 7.893 8.380 0.018 0.064 0.429 49 L N -0.481 120.764 121.223 0.037 0.000 2.012 49 L HA -0.284 4.069 4.340 0.022 0.000 0.210 49 L C 0.991 177.886 176.870 0.042 0.000 1.073 49 L CA 2.996 57.855 54.840 0.031 0.000 0.748 49 L CB -0.431 41.642 42.059 0.024 0.000 0.891 49 L HN -0.181 8.055 8.230 0.027 0.011 0.431 50 A N -2.409 120.453 122.820 0.070 0.000 1.933 50 A HA -0.389 3.952 4.320 0.036 0.000 0.218 50 A C 2.184 179.789 177.584 0.036 0.000 1.175 50 A CA 2.959 55.029 52.037 0.054 0.000 0.628 50 A CB -0.873 18.173 19.000 0.076 0.000 0.814 50 A HN -0.609 7.602 8.150 0.101 0.000 0.444 51 V N -1.359 118.583 119.914 0.048 0.000 2.295 51 V HA -0.625 3.509 4.120 0.023 0.000 0.246 51 V C 2.329 178.436 176.094 0.022 0.000 1.049 51 V CA 4.417 66.736 62.300 0.032 0.000 1.024 51 V CB -0.357 31.490 31.823 0.041 0.000 0.648 51 V HN -0.580 7.650 8.190 0.068 0.000 0.447 52 R N -1.303 119.211 120.500 0.023 0.000 2.120 52 R HA -0.286 4.063 4.340 0.016 0.000 0.234 52 R C 2.064 178.371 176.300 0.012 0.000 1.123 52 R CA 3.343 59.453 56.100 0.016 0.000 0.975 52 R CB -0.325 29.984 30.300 0.015 0.000 0.866 52 R HN -0.080 8.206 8.270 0.027 0.000 0.446 53 R N -2.091 118.415 120.500 0.010 0.000 2.073 53 R HA -0.165 4.177 4.340 0.004 0.000 0.229 53 R C 0.604 176.903 176.300 -0.002 0.000 1.120 53 R CA 2.733 58.835 56.100 0.003 0.000 0.967 53 R CB 0.308 30.609 30.300 0.001 0.000 0.862 53 R HN -0.534 7.729 8.270 0.014 0.015 0.436 54 A N -3.617 119.201 122.820 -0.003 0.000 1.993 54 A HA 0.152 4.464 4.320 -0.014 0.000 0.207 54 A C 1.498 179.079 177.584 -0.004 0.000 1.224 54 A CA 1.272 53.303 52.037 -0.010 0.000 0.749 54 A CB 0.665 19.653 19.000 -0.020 0.000 0.884 54 A HN -0.559 7.592 8.150 0.001 0.000 0.467 55 A N -0.407 122.414 122.820 0.001 0.000 1.940 55 A HA -0.066 4.253 4.320 -0.001 0.000 0.219 55 A C -1.146 176.443 177.584 0.008 0.000 1.176 55 A CA 4.242 56.281 52.037 0.003 0.000 0.631 55 A CB -2.291 16.714 19.000 0.008 0.000 0.814 55 A HN 0.131 8.283 8.150 0.004 0.000 0.446 56 P HA -0.207 4.225 4.420 0.021 0.000 0.222 56 P C -0.343 176.969 177.300 0.019 0.000 1.147 56 P CA 1.721 64.832 63.100 0.017 0.000 0.790 56 P CB -0.372 31.338 31.700 0.018 0.000 0.780 57 A N -5.299 117.528 122.820 0.011 0.000 2.275 57 A HA 0.181 4.510 4.320 0.016 0.000 0.212 57 A C -1.613 175.975 177.584 0.008 0.000 1.201 57 A CA -0.663 51.380 52.037 0.010 0.000 0.843 57 A CB 0.829 19.831 19.000 0.004 0.000 0.873 57 A HN -0.656 7.465 8.150 0.007 0.034 0.492 58 V N 0.479 120.395 119.914 0.004 0.000 2.370 58 V HA 0.485 4.763 4.120 -0.006 -0.161 0.279 58 V C -0.466 175.627 176.094 -0.002 0.000 1.029 58 V CA -0.320 61.978 62.300 -0.004 0.000 0.870 58 V CB 0.807 32.622 31.823 -0.013 0.000 0.984 58 V HN -0.671 7.361 8.190 0.005 0.161 0.451 59 V N 1.137 121.047 119.914 -0.007 0.000 2.975 59 V HA 0.594 4.805 4.120 0.018 -0.081 0.318 59 V C -1.282 174.783 176.094 -0.049 0.000 1.077 59 V CA -3.438 58.863 62.300 0.000 0.000 1.000 59 V CB 2.745 34.585 31.823 0.027 0.000 1.066 59 V HN 0.487 8.669 8.190 -0.013 0.000 0.452 60 N N 1.610 120.275 118.700 -0.058 0.000 2.455 60 N HA 0.241 4.833 4.740 -0.246 0.000 0.280 60 N C -0.880 174.453 175.510 -0.294 0.000 1.055 60 N CA -1.069 51.852 53.050 -0.215 0.000 0.961 60 N CB 1.067 39.436 38.487 -0.197 0.000 1.121 60 N HN -0.030 8.348 8.380 -0.003 0.000 0.476 61 V N 3.060 122.720 119.914 -0.423 0.000 2.448 61 V HA 0.499 4.704 4.120 -0.141 -0.169 0.295 61 V C -1.511 174.310 176.094 -0.455 0.000 1.025 61 V CA -0.993 61.135 62.300 -0.287 0.000 0.859 61 V CB 2.235 33.964 31.823 -0.157 0.000 0.988 61 V HN 0.360 8.176 8.190 -0.440 0.111 0.431 62 Y N 5.122 125.421 120.300 -0.002 0.000 2.341 62 Y HA 0.302 4.851 4.550 -0.001 0.000 0.338 62 Y C -1.314 174.590 175.900 0.008 0.000 0.965 62 Y CA -1.727 56.374 58.100 0.003 0.000 1.108 62 Y CB 2.479 40.944 38.460 0.009 0.000 1.180 62 Y HN 0.805 9.173 8.280 0.146 0.000 0.458 63 N N 4.686 123.468 118.700 0.136 0.000 2.437 63 N HA 0.187 4.976 4.740 0.080 0.000 0.243 63 N C -1.616 173.956 175.510 0.104 0.000 1.041 63 N CA -0.819 52.287 53.050 0.094 0.000 0.940 63 N CB 1.204 39.730 38.487 0.066 0.000 1.133 63 N HN 0.146 8.596 8.380 0.117 0.000 0.506 64 R N 7.221 127.770 120.500 0.082 0.000 2.297 64 R HA 0.419 4.939 4.340 0.068 -0.140 0.308 64 R C -1.266 175.056 176.300 0.036 0.000 1.029 64 R CA -0.933 55.202 56.100 0.058 0.000 0.929 64 R CB 2.544 32.864 30.300 0.035 0.000 1.046 64 R HN 0.224 8.538 8.270 0.073 0.000 0.461 65 G N 4.004 112.824 108.800 0.034 0.000 2.478 65 G HA2 0.494 4.627 3.960 0.013 0.000 0.317 65 G HA3 0.494 4.473 3.960 0.032 0.000 0.317 65 G C -1.768 173.138 174.900 0.010 0.000 1.259 65 G CA -0.828 44.285 45.100 0.022 0.000 0.933 65 G HN -0.049 8.267 8.290 0.042 0.000 0.478 66 L N 3.970 125.178 121.223 -0.026 0.000 2.131 66 L HA 0.047 4.369 4.340 -0.031 0.000 0.206 66 L C 0.082 176.981 176.870 0.048 0.000 1.087 66 L CA 1.390 56.195 54.840 -0.058 0.000 0.767 66 L CB 0.889 42.787 42.059 -0.268 0.000 0.917 66 L HN -0.167 8.333 8.230 -0.039 -0.293 0.441 67 N N -3.189 115.541 118.700 0.050 0.000 1.279 67 N HA -0.426 4.361 4.740 0.078 0.000 0.104 67 N C 0.409 176.049 175.510 0.217 0.000 0.824 67 N CA 2.276 55.386 53.050 0.099 0.000 0.843 67 N CB -1.372 37.163 38.487 0.080 0.000 0.916 67 N HN -0.169 8.223 8.380 0.021 0.000 0.671 68 T N -6.090 108.562 114.554 0.164 0.000 2.990 68 T HA -0.014 4.466 4.350 0.217 0.000 0.249 68 T C 0.222 174.920 174.700 -0.003 0.000 1.039 68 T CA 1.613 63.784 62.100 0.117 0.000 1.036 68 T CB 0.562 69.451 68.868 0.035 0.000 0.994 68 T HN 0.301 8.606 8.240 0.109 0.000 0.489 69 N N -0.233 118.504 118.700 0.061 0.000 2.184 69 N HA 0.068 4.785 4.740 -0.037 0.000 0.206 69 N C 0.171 175.722 175.510 0.069 0.000 1.151 69 N CA 0.381 53.443 53.050 0.020 0.000 0.878 69 N CB 0.262 38.757 38.487 0.014 0.000 1.014 69 N HN -0.022 8.412 8.380 0.089 0.000 0.512 70 S N 0.623 116.421 115.700 0.163 0.000 2.661 70 S HA 0.256 4.781 4.470 0.091 0.000 0.245 70 S C -0.280 174.428 174.600 0.180 0.000 1.117 70 S CA -0.596 57.682 58.200 0.131 0.000 1.091 70 S CB 0.515 63.763 63.200 0.080 0.000 0.887 70 S HN -0.552 7.902 8.310 0.239 0.000 0.491 71 H N 0.650 119.721 119.070 0.003 0.000 2.495 71 H HA -0.183 4.375 4.556 0.004 0.000 0.287 71 H C 0.533 175.860 175.328 -0.002 0.000 1.033 71 H CA 2.853 58.902 56.048 0.002 0.000 1.307 71 H CB 0.567 30.331 29.762 0.003 0.000 1.401 71 H HN 0.246 8.747 8.280 0.368 0.000 0.555 72 N N -2.265 116.508 118.700 0.122 0.000 2.351 72 N HA 0.129 4.899 4.740 0.049 0.000 0.254 72 N C -1.678 173.849 175.510 0.028 0.000 1.241 72 N CA -0.360 52.724 53.050 0.057 0.000 0.883 72 N CB 0.346 38.860 38.487 0.045 0.000 1.202 72 N HN 0.181 8.603 8.380 0.120 0.030 0.512 73 Q N -2.246 117.570 119.800 0.026 0.000 2.590 73 Q HA 0.177 4.512 4.340 -0.008 0.000 0.295 73 Q C -1.792 174.204 176.000 -0.006 0.000 0.973 73 Q CA -1.137 54.669 55.803 0.004 0.000 0.768 73 Q CB 2.191 30.933 28.738 0.006 0.000 1.479 73 Q HN -0.560 7.734 8.270 0.040 0.000 0.419 74 L N 1.652 122.857 121.223 -0.030 0.000 2.328 74 L HA 0.221 4.540 4.340 -0.035 0.000 0.280 74 L C -1.088 175.769 176.870 -0.022 0.000 1.111 74 L CA -0.529 54.284 54.840 -0.046 0.000 0.909 74 L CB -0.365 41.626 42.059 -0.112 0.000 1.277 74 L HN 0.334 8.540 8.230 -0.038 0.000 0.433 75 E N 6.816 127.020 120.200 0.007 0.000 2.167 75 E HA 0.141 4.507 4.350 0.027 0.000 0.284 75 E C -1.208 175.420 176.600 0.046 0.000 1.016 75 E CA -1.313 55.104 56.400 0.028 0.000 0.817 75 E CB 1.445 31.167 29.700 0.038 0.000 1.080 75 E HN -0.264 8.103 8.360 0.011 0.000 0.397 76 I N 6.552 127.164 120.570 0.070 0.000 2.337 76 I HA -0.010 4.231 4.170 0.118 0.000 0.291 76 I C 0.128 176.313 176.117 0.113 0.000 1.046 76 I CA 0.412 61.781 61.300 0.116 0.000 1.324 76 I CB 0.231 38.337 38.000 0.176 0.000 1.409 76 I HN 0.591 8.842 8.210 0.068 0.000 0.494 77 R N 9.504 130.066 120.500 0.104 0.000 2.062 77 R HA -0.026 4.365 4.340 0.085 0.000 0.226 77 R C -0.149 176.223 176.300 0.121 0.000 1.125 77 R CA 1.499 57.656 56.100 0.095 0.000 0.966 77 R CB 1.133 31.478 30.300 0.075 0.000 0.861 77 R HN 0.629 8.960 8.270 0.101 0.000 0.433 78 T N -0.852 113.781 114.554 0.131 0.000 2.916 78 T HA 0.209 4.685 4.350 0.210 0.000 0.305 78 T C -2.753 172.005 174.700 0.096 0.000 1.119 78 T CA -1.059 61.131 62.100 0.150 0.000 1.008 78 T CB 3.343 72.286 68.868 0.125 0.000 1.129 78 T HN -0.585 7.729 8.240 0.122 0.000 0.480 79 L N 3.388 124.628 121.223 0.028 0.000 2.346 79 L HA 0.519 4.779 4.340 -0.134 0.000 0.276 79 L C -1.310 175.393 176.870 -0.278 0.000 1.006 79 L CA -1.319 53.429 54.840 -0.154 0.000 0.817 79 L CB 3.244 45.187 42.059 -0.193 0.000 1.272 79 L HN 0.120 8.391 8.230 0.068 0.000 0.421 80 G N 3.878 112.499 108.800 -0.298 0.000 2.731 80 G HA2 0.514 4.426 3.960 -0.270 0.000 0.309 80 G HA3 0.514 4.343 3.960 -0.219 0.000 0.309 80 G C -2.360 172.381 174.900 -0.264 0.000 1.273 80 G CA 0.393 45.336 45.100 -0.263 0.000 0.798 80 G HN 0.458 8.539 8.290 -0.349 0.000 0.509 81 S N -1.222 114.365 115.700 -0.189 0.000 2.704 81 S HA 1.012 5.512 4.470 -0.172 -0.133 0.296 81 S C -1.318 173.219 174.600 -0.105 0.000 1.138 81 S CA -1.772 56.339 58.200 -0.149 0.000 0.875 81 S CB 4.053 67.183 63.200 -0.116 0.000 1.151 81 S HN 0.480 8.690 8.310 -0.166 0.000 0.500 82 G N -2.205 106.553 108.800 -0.071 0.000 2.660 82 G HA2 0.770 4.983 3.960 -0.041 0.000 0.290 82 G HA3 0.770 4.706 3.960 -0.038 0.000 0.290 82 G C -3.229 171.658 174.900 -0.021 0.000 1.432 82 G CA 0.009 45.084 45.100 -0.042 0.000 0.807 82 G HN -0.119 8.131 8.290 -0.067 0.000 0.485 83 V N 0.346 120.257 119.914 -0.005 0.000 2.483 83 V HA 0.444 4.709 4.120 -0.000 -0.145 0.297 83 V C -0.908 175.194 176.094 0.014 0.000 1.027 83 V CA -1.498 60.804 62.300 0.004 0.000 0.855 83 V CB 3.285 35.113 31.823 0.009 0.000 0.995 83 V HN 0.259 8.448 8.190 -0.001 0.000 0.424 84 I N 7.937 128.513 120.570 0.011 0.000 2.436 84 I HA -0.112 4.198 4.170 0.018 -0.130 0.289 84 I C -0.117 176.015 176.117 0.025 0.000 1.083 84 I CA 1.309 62.618 61.300 0.015 0.000 1.372 84 I CB -0.189 37.812 38.000 0.003 0.000 1.408 84 I HN 0.714 8.929 8.210 0.008 0.000 0.516 85 M N 7.581 127.209 119.600 0.047 0.000 2.534 85 M HA 0.061 4.563 4.480 0.037 0.000 0.263 85 M C -0.257 176.075 176.300 0.054 0.000 1.152 85 M CA -0.072 55.258 55.300 0.050 0.000 1.145 85 M CB 0.272 32.908 32.600 0.060 0.000 1.333 85 M HN 0.442 8.770 8.290 0.063 0.000 0.477 86 D N -4.656 115.787 120.400 0.072 0.000 2.599 86 D HA 0.250 4.917 4.640 0.045 0.000 0.252 86 D C 0.013 176.339 176.300 0.044 0.000 1.232 86 D CA -1.166 52.874 54.000 0.066 0.000 0.819 86 D CB 1.341 42.198 40.800 0.095 0.000 1.401 86 D HN -0.775 7.645 8.370 0.084 0.000 0.429 87 Q N -1.574 118.242 119.800 0.027 0.000 2.297 87 Q HA -0.257 4.075 4.340 -0.013 0.000 0.208 87 Q C 1.318 177.299 176.000 -0.032 0.000 0.981 87 Q CA 2.808 58.609 55.803 -0.003 0.000 0.876 87 Q CB -0.320 28.419 28.738 0.002 0.000 0.921 87 Q HN 0.376 8.665 8.270 0.032 0.000 0.446 88 R N -3.457 117.039 120.500 -0.008 0.000 2.189 88 R HA -0.184 4.108 4.340 -0.078 0.000 0.223 88 R C 0.612 176.766 176.300 -0.244 0.000 1.092 88 R CA 1.080 57.133 56.100 -0.078 0.000 0.989 88 R CB 0.739 31.060 30.300 0.034 0.000 0.876 88 R HN -0.581 7.864 8.270 0.048 -0.146 0.457 89 G N -4.396 104.280 108.800 -0.207 0.000 2.141 89 G HA2 -0.339 3.494 3.960 -0.211 0.000 0.164 89 G HA3 -0.339 3.581 3.960 -0.350 -0.170 0.164 89 G C -0.946 173.772 174.900 -0.303 0.000 1.009 89 G CA -0.486 44.446 45.100 -0.280 0.000 0.677 89 G HN -0.224 7.973 8.290 -0.101 0.032 0.508 90 Y N 0.629 120.894 120.300 -0.057 0.000 2.335 90 Y HA 0.326 5.039 4.550 -0.044 -0.190 0.331 90 Y C -0.906 174.973 175.900 -0.035 0.000 1.094 90 Y CA 0.707 58.782 58.100 -0.042 0.000 1.253 90 Y CB 1.025 39.468 38.460 -0.029 0.000 1.203 90 Y HN -1.063 7.392 8.280 0.015 -0.166 0.508 91 I N 1.806 122.449 120.570 0.121 0.000 2.498 91 I HA 0.539 4.936 4.170 0.050 -0.196 0.290 91 I C -0.905 175.244 176.117 0.054 0.000 1.032 91 I CA -1.589 59.745 61.300 0.056 0.000 1.073 91 I CB 3.878 41.887 38.000 0.014 0.000 1.251 91 I HN 0.463 8.757 8.210 0.139 0.000 0.426 92 I N 6.929 127.521 120.570 0.037 0.000 2.396 92 I HA 0.562 4.907 4.170 0.024 -0.160 0.292 92 I C -0.639 175.479 176.117 0.001 0.000 0.999 92 I CA -0.542 60.772 61.300 0.023 0.000 1.310 92 I CB 1.513 39.530 38.000 0.028 0.000 1.404 92 I HN 0.227 8.459 8.210 0.035 0.000 0.496 93 T N 5.279 119.824 114.554 -0.014 0.000 2.647 93 T HA 0.436 4.759 4.350 -0.046 0.000 0.295 93 T C -1.890 172.772 174.700 -0.063 0.000 1.126 93 T CA -2.943 59.128 62.100 -0.048 0.000 1.040 93 T CB 1.528 70.356 68.868 -0.068 0.000 1.472 93 T HN 0.374 8.608 8.240 -0.010 0.000 0.500 94 N N -0.043 118.574 118.700 -0.137 0.000 2.487 94 N HA 0.327 5.168 4.740 -0.076 -0.146 0.292 94 N C 0.513 175.904 175.510 -0.200 0.000 1.108 94 N CA -0.191 52.752 53.050 -0.179 0.000 0.956 94 N CB 1.548 39.829 38.487 -0.344 0.000 1.176 94 N HN 0.382 8.656 8.380 -0.178 0.000 0.484 95 K N 4.858 125.209 120.400 -0.082 0.000 2.063 95 K HA -0.391 3.909 4.320 -0.033 0.000 0.208 95 K C 1.009 177.593 176.600 -0.027 0.000 1.048 95 K CA 3.203 59.472 56.287 -0.030 0.000 0.928 95 K CB 0.028 32.544 32.500 0.028 0.000 0.713 95 K HN 0.138 8.313 8.250 -0.027 0.060 0.442 96 H N -4.367 114.721 119.070 0.029 0.000 2.489 96 H HA -0.176 4.400 4.556 0.032 0.000 0.293 96 H C 1.674 177.022 175.328 0.033 0.000 1.066 96 H CA 2.586 58.654 56.048 0.034 0.000 1.305 96 H CB -0.334 29.453 29.762 0.041 0.000 1.386 96 H HN -0.514 7.994 8.280 0.026 -0.212 0.551 97 V N -1.638 118.070 119.914 -0.342 0.000 2.358 97 V HA -0.278 3.796 4.120 -0.076 0.000 0.246 97 V C 0.547 176.609 176.094 -0.053 0.000 1.047 97 V CA 2.529 64.724 62.300 -0.176 0.000 1.035 97 V CB 0.412 32.086 31.823 -0.249 0.000 0.658 97 V HN -0.642 7.079 8.190 -0.569 0.127 0.452 98 I N -10.895 109.645 120.570 -0.051 0.000 3.956 98 I HA 0.094 4.264 4.170 -0.001 0.000 0.333 98 I C -0.502 175.623 176.117 0.014 0.000 1.302 98 I CA -1.743 59.551 61.300 -0.010 0.000 1.122 98 I CB -0.052 37.938 38.000 -0.016 0.000 1.013 98 I HN -0.837 7.328 8.210 -0.075 0.000 0.405 99 N N 3.676 122.392 118.700 0.028 0.000 2.412 99 N HA -0.163 4.597 4.740 0.032 0.000 0.258 99 N C -0.422 175.112 175.510 0.040 0.000 1.236 99 N CA 1.894 54.968 53.050 0.040 0.000 0.882 99 N CB -0.133 38.390 38.487 0.060 0.000 1.066 99 N HN -0.581 7.816 8.380 0.029 0.000 0.465 100 D N -4.619 115.801 120.400 0.032 0.000 3.090 100 D HA -0.329 4.326 4.640 0.025 0.000 0.215 100 D C -1.216 175.101 176.300 0.029 0.000 1.140 100 D CA 1.071 55.089 54.000 0.030 0.000 0.937 100 D CB -1.240 39.581 40.800 0.035 0.000 1.108 100 D HN 0.214 8.601 8.370 0.029 0.000 0.420 101 A N -2.379 120.458 122.820 0.028 0.000 2.450 101 A HA -0.072 4.459 4.320 0.032 -0.192 0.255 101 A C 0.101 177.696 177.584 0.017 0.000 1.096 101 A CA 0.066 52.119 52.037 0.028 0.000 0.778 101 A CB 0.436 19.455 19.000 0.030 0.000 1.031 101 A HN -0.755 7.374 8.150 0.027 0.038 0.494 102 D N 2.638 123.044 120.400 0.011 0.000 2.234 102 D HA -0.072 4.564 4.640 -0.006 0.000 0.205 102 D C 0.216 176.514 176.300 -0.002 0.000 0.962 102 D CA 2.242 56.239 54.000 -0.005 0.000 0.855 102 D CB 0.969 41.754 40.800 -0.026 0.000 0.951 102 D HN 0.004 8.382 8.370 0.014 0.000 0.500 103 Q N -3.053 116.754 119.800 0.011 0.000 2.386 103 Q HA 0.193 4.543 4.340 0.017 0.000 0.274 103 Q C -2.546 173.477 176.000 0.040 0.000 1.011 103 Q CA -0.127 55.688 55.803 0.019 0.000 0.867 103 Q CB 3.514 32.258 28.738 0.011 0.000 1.409 103 Q HN -0.839 7.423 8.270 0.018 0.019 0.395 104 I N 4.564 125.161 120.570 0.046 0.000 2.362 104 I HA 0.644 5.036 4.170 0.075 -0.177 0.289 104 I C -1.404 174.766 176.117 0.088 0.000 0.994 104 I CA -1.213 60.125 61.300 0.064 0.000 1.158 104 I CB 2.003 40.029 38.000 0.045 0.000 1.315 104 I HN 0.574 8.808 8.210 0.040 0.000 0.451 105 I N 7.069 127.720 120.570 0.136 0.000 2.441 105 I HA 0.670 5.077 4.170 0.138 -0.155 0.295 105 I C -1.175 175.078 176.117 0.228 0.000 0.994 105 I CA -3.140 58.263 61.300 0.172 0.000 1.144 105 I CB 1.650 39.747 38.000 0.161 0.000 1.314 105 I HN 0.490 8.798 8.210 0.163 0.000 0.445 106 V N 6.293 126.333 119.914 0.210 0.000 2.487 106 V HA 0.638 5.047 4.120 0.162 -0.192 0.298 106 V C -2.121 174.111 176.094 0.230 0.000 1.028 106 V CA -2.030 60.389 62.300 0.198 0.000 0.860 106 V CB 3.487 35.410 31.823 0.166 0.000 0.991 106 V HN 0.541 8.856 8.190 0.207 0.000 0.427 107 A N 7.053 130.001 122.820 0.213 0.000 2.331 107 A HA 0.837 5.390 4.320 0.128 -0.157 0.320 107 A C -1.833 175.828 177.584 0.129 0.000 1.138 107 A CA -2.275 49.864 52.037 0.171 0.000 0.790 107 A CB 2.973 22.109 19.000 0.227 0.000 1.206 107 A HN 0.689 8.955 8.150 0.193 0.000 0.470 108 L N 2.027 123.320 121.223 0.117 0.000 2.416 108 L HA 0.182 4.577 4.340 0.092 0.000 0.262 108 L C 1.786 178.693 176.870 0.062 0.000 1.093 108 L CA -0.743 54.157 54.840 0.099 0.000 0.801 108 L CB 1.520 43.661 42.059 0.136 0.000 1.191 108 L HN 0.306 8.599 8.230 0.106 0.000 0.459 109 Q N 1.286 121.116 119.800 0.050 0.000 2.364 109 Q HA -0.255 4.107 4.340 0.037 0.000 0.207 109 Q C 0.416 176.434 176.000 0.030 0.000 0.970 109 Q CA 2.169 57.994 55.803 0.036 0.000 0.888 109 Q CB -0.543 28.212 28.738 0.029 0.000 0.951 109 Q HN 0.964 9.264 8.270 0.050 0.000 0.469 110 D N -5.587 114.834 120.400 0.035 0.000 2.349 110 D HA -0.057 4.596 4.640 0.021 0.000 0.224 110 D C 0.680 176.986 176.300 0.010 0.000 1.029 110 D CA -0.418 53.597 54.000 0.025 0.000 0.879 110 D CB -0.635 40.185 40.800 0.033 0.000 0.906 110 D HN -0.607 7.760 8.370 0.045 0.030 0.528 111 G N -0.306 108.497 108.800 0.005 0.000 2.195 111 G HA2 -0.448 3.504 3.960 -0.013 0.000 0.224 111 G HA3 -0.448 3.498 3.960 -0.022 0.000 0.224 111 G C -0.372 174.488 174.900 -0.066 0.000 0.990 111 G CA -0.199 44.889 45.100 -0.020 0.000 0.639 111 G HN -0.410 7.724 8.290 0.017 0.166 0.514 112 R N 0.793 121.245 120.500 -0.080 0.000 2.543 112 R HA 0.001 4.171 4.340 -0.284 0.000 0.277 112 R C -1.285 174.822 176.300 -0.322 0.000 1.074 112 R CA 0.535 56.487 56.100 -0.248 0.000 1.076 112 R CB 1.157 31.329 30.300 -0.214 0.000 0.993 112 R HN -0.257 8.240 8.270 -0.030 -0.245 0.459 113 V N 1.223 120.812 119.914 -0.542 0.000 2.638 113 V HA 0.686 4.874 4.120 -0.174 -0.172 0.306 113 V C -0.757 175.009 176.094 -0.547 0.000 1.052 113 V CA -1.152 60.938 62.300 -0.350 0.000 0.885 113 V CB 2.879 34.598 31.823 -0.173 0.000 0.999 113 V HN 0.001 7.810 8.190 -0.636 0.000 0.424 114 F N 4.446 124.407 119.950 0.019 0.000 2.588 114 F HA 0.346 4.874 4.527 0.001 0.000 0.314 114 F C -1.093 174.715 175.800 0.013 0.000 1.069 114 F CA -1.526 56.479 58.000 0.008 0.000 0.931 114 F CB 4.535 43.534 39.000 -0.001 0.000 1.260 114 F HN 0.673 9.055 8.300 0.135 0.000 0.465 115 E N 2.483 122.807 120.200 0.207 0.000 2.289 115 E HA 0.204 4.748 4.350 0.106 -0.130 0.278 115 E C -1.349 175.316 176.600 0.109 0.000 1.032 115 E CA -0.156 56.317 56.400 0.122 0.000 0.854 115 E CB 1.309 31.055 29.700 0.077 0.000 1.046 115 E HN 0.404 8.888 8.360 0.206 0.000 0.409 116 A N 5.891 128.757 122.820 0.076 0.000 2.340 116 A HA 0.611 5.069 4.320 0.012 -0.131 0.331 116 A C -1.736 175.860 177.584 0.019 0.000 1.140 116 A CA -1.658 50.400 52.037 0.035 0.000 0.801 116 A CB 2.799 21.821 19.000 0.037 0.000 1.234 116 A HN 0.394 8.590 8.150 0.077 0.000 0.469 117 L N 0.456 121.678 121.223 -0.001 0.000 2.309 117 L HA 0.349 4.696 4.340 0.011 0.000 0.282 117 L C -0.731 176.147 176.870 0.015 0.000 1.036 117 L CA -1.363 53.480 54.840 0.005 0.000 0.806 117 L CB 1.974 44.031 42.059 -0.005 0.000 1.220 117 L HN 0.057 8.275 8.230 -0.020 0.000 0.429 118 L N 4.110 125.345 121.223 0.020 0.000 2.369 118 L HA 0.008 4.365 4.340 0.028 0.000 0.279 118 L C -0.152 176.740 176.870 0.036 0.000 1.108 118 L CA 0.470 55.325 54.840 0.026 0.000 0.852 118 L CB -0.058 42.013 42.059 0.020 0.000 1.169 118 L HN 0.266 8.507 8.230 0.018 0.000 0.452 119 V N 6.724 126.671 119.914 0.055 0.000 2.535 119 V HA 0.009 4.173 4.120 0.073 0.000 0.246 119 V C -0.683 175.436 176.094 0.041 0.000 1.045 119 V CA 1.621 63.965 62.300 0.073 0.000 1.058 119 V CB 0.718 32.625 31.823 0.139 0.000 0.689 119 V HN 0.677 8.903 8.190 0.060 0.000 0.461 120 G N -5.509 103.308 108.800 0.029 0.000 2.338 120 G HA2 0.028 3.995 3.960 0.013 0.000 0.295 120 G HA3 0.028 4.097 3.960 0.008 -0.105 0.295 120 G C -3.320 171.586 174.900 0.009 0.000 1.461 120 G CA 0.227 45.335 45.100 0.014 0.000 0.817 120 G HN -0.785 7.524 8.290 0.032 0.000 0.556 121 S N -1.465 114.238 115.700 0.005 0.000 2.607 121 S HA 0.673 5.267 4.470 0.003 -0.122 0.273 121 S C -2.106 172.494 174.600 0.001 0.000 1.148 121 S CA -1.476 56.726 58.200 0.004 0.000 0.833 121 S CB 3.713 66.918 63.200 0.008 0.000 1.130 121 S HN 0.189 8.502 8.310 0.004 0.000 0.470 122 D N 0.031 120.432 120.400 0.001 0.000 2.505 122 D HA 0.370 5.007 4.640 -0.005 0.000 0.250 122 D C 0.535 176.838 176.300 0.005 0.000 1.164 122 D CA -1.209 52.789 54.000 -0.003 0.000 0.870 122 D CB 2.479 43.272 40.800 -0.012 0.000 1.160 122 D HN -0.019 8.353 8.370 0.004 0.000 0.549 123 S N 6.971 122.674 115.700 0.006 0.000 2.382 123 S HA -0.225 4.259 4.470 0.025 0.000 0.228 123 S C 1.141 175.745 174.600 0.007 0.000 1.027 123 S CA 2.917 61.125 58.200 0.013 0.000 0.991 123 S CB 0.043 63.249 63.200 0.010 0.000 0.823 123 S HN 0.467 8.778 8.310 0.002 0.000 0.469 124 L N 0.404 121.621 121.223 -0.009 0.000 2.012 124 L HA -0.172 4.153 4.340 -0.025 0.000 0.210 124 L C 1.044 177.895 176.870 -0.032 0.000 1.073 124 L CA 2.399 57.224 54.840 -0.025 0.000 0.748 124 L CB 0.470 42.507 42.059 -0.037 0.000 0.891 124 L HN 0.034 8.257 8.230 -0.012 0.000 0.431 125 T N -6.212 108.327 114.554 -0.026 0.000 3.086 125 T HA -0.072 4.243 4.350 -0.057 0.000 0.250 125 T C 0.548 175.261 174.700 0.023 0.000 1.074 125 T CA -0.499 61.584 62.100 -0.028 0.000 0.988 125 T CB 1.165 70.010 68.868 -0.038 0.000 0.988 125 T HN -0.635 7.760 8.240 -0.020 -0.167 0.530 126 D N 0.634 121.059 120.400 0.042 0.000 2.772 126 D HA -0.265 4.424 4.640 0.082 0.000 0.233 126 D C -1.401 174.937 176.300 0.063 0.000 1.143 126 D CA 1.422 55.474 54.000 0.086 0.000 0.700 126 D CB -0.862 40.035 40.800 0.162 0.000 1.076 126 D HN -0.252 7.981 8.370 0.029 0.155 0.430 127 L N -2.925 118.316 121.223 0.029 0.000 2.330 127 L HA 0.528 5.006 4.340 0.012 -0.131 0.271 127 L C -2.053 174.818 176.870 0.002 0.000 1.013 127 L CA -1.082 53.766 54.840 0.013 0.000 0.816 127 L CB 3.197 45.261 42.059 0.009 0.000 1.287 127 L HN -0.832 7.396 8.230 0.021 0.015 0.435 128 A N 0.138 122.955 122.820 -0.006 0.000 2.498 128 A HA 0.848 5.297 4.320 0.001 -0.128 0.298 128 A C -2.307 175.281 177.584 0.006 0.000 1.075 128 A CA -1.627 50.408 52.037 -0.003 0.000 0.714 128 A CB 4.044 23.037 19.000 -0.012 0.000 1.299 128 A HN 0.585 8.729 8.150 -0.010 0.000 0.407 129 V N 0.456 120.382 119.914 0.021 0.000 2.540 129 V HA 0.892 5.244 4.120 0.047 -0.203 0.302 129 V C -1.064 175.070 176.094 0.067 0.000 1.035 129 V CA -1.928 60.401 62.300 0.049 0.000 0.873 129 V CB 2.604 34.459 31.823 0.052 0.000 0.992 129 V HN 0.160 8.362 8.190 0.020 0.000 0.428 130 L N 5.302 126.568 121.223 0.071 0.000 2.313 130 L HA 0.935 5.481 4.340 0.044 -0.179 0.268 130 L C -1.321 175.576 176.870 0.044 0.000 1.010 130 L CA -2.031 52.838 54.840 0.048 0.000 0.814 130 L CB 2.973 45.041 42.059 0.016 0.000 1.304 130 L HN 0.729 9.000 8.230 0.069 0.000 0.441 131 K N 0.855 121.234 120.400 -0.034 0.000 2.471 131 K HA 0.704 5.060 4.320 -0.272 -0.200 0.252 131 K C -1.391 175.095 176.600 -0.189 0.000 0.938 131 K CA -1.731 54.442 56.287 -0.190 0.000 0.796 131 K CB 2.743 35.102 32.500 -0.235 0.000 1.161 131 K HN 0.255 8.491 8.250 -0.025 0.000 0.425 132 I N 1.093 121.499 120.570 -0.273 0.000 2.562 132 I HA 0.496 4.532 4.170 -0.224 0.000 0.301 132 I C -2.090 173.798 176.117 -0.381 0.000 1.003 132 I CA -1.798 59.308 61.300 -0.323 0.000 1.127 132 I CB 2.702 40.411 38.000 -0.485 0.000 1.304 132 I HN 0.185 8.207 8.210 -0.313 0.000 0.446 133 N N 4.253 122.760 118.700 -0.322 0.000 2.511 133 N HA 0.207 4.795 4.740 -0.254 0.000 0.249 133 N C -1.525 173.836 175.510 -0.248 0.000 0.971 133 N CA -0.937 51.968 53.050 -0.241 0.000 0.938 133 N CB 0.355 38.772 38.487 -0.117 0.000 1.131 133 N HN 0.295 8.521 8.380 -0.258 0.000 0.505 134 A N 4.175 126.821 122.820 -0.290 0.000 2.355 134 A HA 0.423 4.769 4.320 0.043 0.000 0.324 134 A C 0.042 177.617 177.584 -0.016 0.000 1.117 134 A CA -0.990 50.957 52.037 -0.150 0.000 0.785 134 A CB 1.944 20.744 19.000 -0.333 0.000 1.254 134 A HN 0.017 7.996 8.150 -0.285 0.000 0.453 135 T N -0.017 114.583 114.554 0.076 0.000 2.896 135 T HA -0.133 4.231 4.350 0.023 0.000 0.263 135 T C 0.844 175.567 174.700 0.039 0.000 1.050 135 T CA 0.439 62.567 62.100 0.047 0.000 1.140 135 T CB 0.214 69.116 68.868 0.058 0.000 0.877 135 T HN 0.024 8.352 8.240 0.147 0.000 0.457 136 G N 1.042 109.882 108.800 0.067 0.000 2.451 136 G HA2 0.114 4.096 3.960 0.037 0.000 0.303 136 G HA3 0.114 4.114 3.960 0.066 0.000 0.303 136 G C -0.009 174.912 174.900 0.034 0.000 1.166 136 G CA -0.846 44.285 45.100 0.052 0.000 0.884 136 G HN -0.635 7.719 8.290 0.107 0.000 0.514 137 G N -0.069 108.745 108.800 0.022 0.000 2.562 137 G HA2 -0.058 3.901 3.960 -0.003 0.000 0.233 137 G HA3 -0.058 3.909 3.960 0.011 0.000 0.233 137 G C -1.113 173.795 174.900 0.014 0.000 1.266 137 G CA -0.179 44.926 45.100 0.009 0.000 0.852 137 G HN 0.108 8.411 8.290 0.022 0.000 0.581 138 L N 2.507 123.727 121.223 -0.005 0.000 2.334 138 L HA 0.408 4.759 4.340 0.018 0.000 0.276 138 L C -1.878 174.995 176.870 0.005 0.000 1.014 138 L CA -3.019 51.819 54.840 -0.003 0.000 0.815 138 L CB 1.621 43.652 42.059 -0.046 0.000 1.268 138 L HN -0.495 7.925 8.230 -0.014 -0.198 0.428 139 P HA 0.114 4.541 4.420 0.012 0.000 0.275 139 P C -1.625 175.679 177.300 0.008 0.000 1.228 139 P CA -0.452 62.656 63.100 0.013 0.000 0.786 139 P CB 0.340 32.052 31.700 0.020 0.000 0.927 140 T N -3.246 111.312 114.554 0.006 0.000 2.907 140 T HA 0.149 4.642 4.350 0.007 -0.139 0.292 140 T C -0.104 174.595 174.700 -0.000 0.000 1.043 140 T CA -2.701 59.402 62.100 0.005 0.000 1.003 140 T CB 3.325 72.198 68.868 0.009 0.000 1.084 140 T HN -0.369 7.874 8.240 0.006 0.000 0.483 141 I N 2.189 122.757 120.570 -0.003 0.000 2.588 141 I HA 0.125 4.285 4.170 -0.018 0.000 0.283 141 I C -2.113 173.986 176.117 -0.030 0.000 1.119 141 I CA -2.663 58.626 61.300 -0.017 0.000 1.419 141 I CB 1.345 39.333 38.000 -0.019 0.000 1.394 141 I HN -0.205 8.007 8.210 0.002 0.000 0.562 142 P HA 0.062 4.458 4.420 -0.041 0.000 0.271 142 P C -2.086 175.152 177.300 -0.103 0.000 1.220 142 P CA -0.355 62.710 63.100 -0.057 0.000 0.768 142 P CB 0.283 31.951 31.700 -0.054 0.000 0.848 143 I N 2.758 123.272 120.570 -0.093 0.000 2.466 143 I HA 0.195 4.208 4.170 -0.261 0.000 0.289 143 I C -1.170 174.886 176.117 -0.100 0.000 1.026 143 I CA -1.143 60.073 61.300 -0.140 0.000 1.078 143 I CB 2.843 40.816 38.000 -0.044 0.000 1.249 143 I HN 0.029 8.203 8.210 -0.060 0.000 0.429 144 N N 7.437 126.041 118.700 -0.161 0.000 2.626 144 N HA 0.109 4.843 4.740 -0.010 0.000 0.249 144 N C 0.096 175.643 175.510 0.062 0.000 1.021 144 N CA -1.184 51.837 53.050 -0.048 0.000 0.886 144 N CB 0.819 39.274 38.487 -0.053 0.000 1.149 144 N HN 0.177 8.371 8.380 -0.311 0.000 0.517 145 A N 5.417 128.323 122.820 0.143 0.000 2.070 145 A HA -0.129 4.471 4.320 0.468 0.000 0.220 145 A C 0.951 178.665 177.584 0.216 0.000 1.159 145 A CA 2.279 54.472 52.037 0.260 0.000 0.656 145 A CB -0.003 19.089 19.000 0.152 0.000 0.800 145 A HN 0.712 8.922 8.150 0.099 0.000 0.453 146 R N -4.272 116.312 120.500 0.140 0.000 2.246 146 R HA -0.023 4.372 4.340 0.091 0.000 0.199 146 R C 0.297 176.670 176.300 0.122 0.000 0.984 146 R CA 0.118 56.281 56.100 0.105 0.000 1.015 146 R CB 0.593 30.934 30.300 0.068 0.000 0.930 146 R HN -0.625 7.875 8.270 0.111 -0.163 0.475 147 R N 0.154 120.744 120.500 0.150 0.000 2.441 147 R HA -0.107 4.299 4.340 0.109 0.000 0.284 147 R C -1.049 175.364 176.300 0.188 0.000 1.070 147 R CA 0.002 56.179 56.100 0.129 0.000 1.047 147 R CB 0.834 31.167 30.300 0.056 0.000 1.016 147 R HN -0.689 7.569 8.270 0.157 0.106 0.477 148 V N -0.703 119.259 119.914 0.079 0.000 2.735 148 V HA 0.461 4.654 4.120 0.122 0.000 0.310 148 V C -2.317 173.677 176.094 -0.168 0.000 1.061 148 V CA -4.098 58.194 62.300 -0.012 0.000 0.913 148 V CB 2.068 33.815 31.823 -0.128 0.000 1.005 148 V HN 0.097 8.323 8.190 0.060 0.000 0.428 149 P HA 0.068 4.465 4.420 -0.038 0.000 0.271 149 P C -1.591 175.535 177.300 -0.291 0.000 1.216 149 P CA -0.316 62.723 63.100 -0.101 0.000 0.776 149 P CB 0.751 32.453 31.700 0.002 0.000 0.881 150 H N 1.631 120.726 119.070 0.041 0.000 2.569 150 H HA 0.350 4.926 4.556 0.034 0.000 0.357 150 H C -0.708 174.635 175.328 0.025 0.000 1.153 150 H CA -1.537 54.531 56.048 0.032 0.000 1.193 150 H CB 4.116 33.894 29.762 0.027 0.000 1.602 150 H HN 0.050 8.684 8.280 0.094 -0.298 0.523 151 I N 0.868 121.526 120.570 0.146 0.000 2.668 151 I HA -0.626 3.696 4.170 0.065 -0.112 0.285 151 I C 1.264 177.426 176.117 0.075 0.000 1.168 151 I CA 2.404 63.754 61.300 0.085 0.000 1.424 151 I CB -0.583 37.457 38.000 0.068 0.000 1.377 151 I HN 0.633 8.937 8.210 0.158 0.000 0.560 152 G N 7.067 115.896 108.800 0.048 0.000 2.213 152 G HA2 -0.411 3.563 3.960 0.023 0.000 0.236 152 G HA3 -0.411 3.571 3.960 0.036 0.000 0.236 152 G C -0.410 174.511 174.900 0.034 0.000 0.991 152 G CA -0.543 44.578 45.100 0.035 0.000 0.629 152 G HN 0.608 8.921 8.290 0.038 0.000 0.517 153 D N 2.274 122.706 120.400 0.052 0.000 2.455 153 D HA -0.040 4.629 4.640 0.047 0.000 0.241 153 D C -0.052 176.246 176.300 -0.004 0.000 1.138 153 D CA 1.322 55.348 54.000 0.043 0.000 0.877 153 D CB 0.620 41.460 40.800 0.066 0.000 1.187 153 D HN -0.313 8.043 8.370 0.071 0.057 0.451 154 V N 2.103 122.001 119.914 -0.028 0.000 2.637 154 V HA 0.042 4.250 4.120 -0.106 -0.152 0.296 154 V C -0.124 175.882 176.094 -0.146 0.000 1.046 154 V CA 0.834 63.067 62.300 -0.112 0.000 1.066 154 V CB 0.229 31.948 31.823 -0.174 0.000 0.968 154 V HN 0.132 8.318 8.190 -0.006 0.000 0.483 155 V N 0.046 119.861 119.914 -0.165 0.000 2.962 155 V HA 0.981 5.179 4.120 -0.139 -0.162 0.313 155 V C -1.613 174.379 176.094 -0.171 0.000 1.099 155 V CA -3.324 58.891 62.300 -0.141 0.000 0.971 155 V CB 3.976 35.752 31.823 -0.077 0.000 1.028 155 V HN 0.245 8.232 8.190 -0.163 0.105 0.430 156 L N 0.512 121.652 121.223 -0.138 0.000 2.341 156 L HA 0.871 5.343 4.340 -0.119 -0.203 0.278 156 L C -1.037 175.792 176.870 -0.068 0.000 1.005 156 L CA -2.092 52.681 54.840 -0.111 0.000 0.818 156 L CB 2.859 44.860 42.059 -0.096 0.000 1.259 156 L HN 0.391 8.550 8.230 -0.117 0.000 0.418 157 A N 3.250 126.036 122.820 -0.057 0.000 2.301 157 A HA 0.888 5.359 4.320 -0.039 -0.174 0.312 157 A C -1.414 176.149 177.584 -0.036 0.000 1.182 157 A CA -1.944 50.068 52.037 -0.043 0.000 0.826 157 A CB 2.382 21.355 19.000 -0.044 0.000 1.134 157 A HN 0.632 8.746 8.150 -0.060 0.000 0.501 158 I N 2.146 122.696 120.570 -0.033 0.000 2.447 158 I HA 0.742 5.090 4.170 -0.026 -0.193 0.287 158 I C -0.810 175.284 176.117 -0.038 0.000 1.023 158 I CA -1.375 59.907 61.300 -0.029 0.000 1.083 158 I CB 2.324 40.311 38.000 -0.023 0.000 1.245 158 I HN 0.189 8.380 8.210 -0.032 0.000 0.434 159 G N 5.032 113.804 108.800 -0.046 0.000 2.490 159 G HA2 0.243 4.161 3.960 -0.071 0.000 0.308 159 G HA3 0.243 4.155 3.960 -0.080 0.000 0.308 159 G C -3.328 171.526 174.900 -0.076 0.000 1.286 159 G CA 0.596 45.654 45.100 -0.069 0.000 0.825 159 G HN -0.173 8.093 8.290 -0.039 0.000 0.479 160 N N 0.391 119.022 118.700 -0.115 0.000 2.818 160 N HA 0.660 5.361 4.740 -0.064 0.000 0.301 160 N C -1.944 173.481 175.510 -0.142 0.000 1.821 160 N CA -3.871 49.114 53.050 -0.109 0.000 0.930 160 N CB 1.625 40.026 38.487 -0.143 0.000 1.263 160 N HN -0.229 8.065 8.380 -0.143 0.000 0.487 161 P HA 0.010 4.388 4.420 -0.413 -0.205 0.263 161 P C 0.143 177.373 177.300 -0.117 0.000 1.195 161 P CA 0.409 63.350 63.100 -0.265 0.000 0.762 161 P CB -0.226 31.367 31.700 -0.178 0.000 0.799 162 Y N -0.100 120.213 120.300 0.022 0.000 4.324 162 Y HA -0.530 4.095 4.550 0.125 0.000 0.224 162 Y C -1.004 174.933 175.900 0.062 0.000 1.113 162 Y CA 1.170 59.314 58.100 0.074 0.000 1.887 162 Y CB -2.398 36.104 38.460 0.070 0.000 1.602 162 Y HN 0.387 8.357 8.280 -0.517 0.000 0.654 163 N N -3.366 115.405 118.700 0.118 0.000 2.725 163 N HA -0.356 4.585 4.740 0.100 -0.141 0.249 163 N C 0.343 175.930 175.510 0.129 0.000 1.103 163 N CA 1.183 54.312 53.050 0.131 0.000 0.707 163 N CB -0.827 37.772 38.487 0.187 0.000 1.043 163 N HN -0.390 7.973 8.380 0.026 0.033 0.553 164 L N -2.094 119.201 121.223 0.120 0.000 2.376 164 L HA -0.175 4.225 4.340 0.099 0.000 0.219 164 L C 0.986 177.900 176.870 0.074 0.000 1.133 164 L CA 1.348 56.249 54.840 0.101 0.000 0.816 164 L CB 0.296 42.420 42.059 0.109 0.000 0.933 164 L HN -0.348 7.928 8.230 0.124 0.029 0.449 165 G N -3.666 105.174 108.800 0.066 0.000 2.555 165 G HA2 -0.295 3.709 3.960 0.062 0.000 0.686 165 G HA3 -0.295 3.696 3.960 0.052 0.000 0.686 165 G C -2.277 172.639 174.900 0.028 0.000 1.275 165 G CA -0.944 44.188 45.100 0.052 0.000 0.871 165 G HN -0.483 8.085 8.290 0.064 -0.239 0.603 166 Q N 1.902 121.715 119.800 0.020 0.000 2.283 166 Q HA -0.197 4.325 4.340 -0.009 -0.187 0.301 166 Q C -0.355 175.650 176.000 0.009 0.000 1.063 166 Q CA 1.515 57.321 55.803 0.005 0.000 0.952 166 Q CB 0.513 29.255 28.738 0.008 0.000 1.166 166 Q HN 0.345 8.631 8.270 0.027 0.000 0.381 167 T N 9.017 123.571 114.554 -0.000 0.000 2.881 167 T HA 0.240 4.599 4.350 0.014 0.000 0.290 167 T C -1.891 172.808 174.700 -0.002 0.000 1.000 167 T CA -0.815 61.288 62.100 0.006 0.000 0.978 167 T CB 2.154 71.028 68.868 0.009 0.000 0.997 167 T HN 0.381 8.614 8.240 -0.011 0.000 0.443 168 I N 5.126 125.698 120.570 0.005 0.000 2.354 168 I HA 0.758 5.124 4.170 -0.010 -0.202 0.292 168 I C 0.253 176.369 176.117 -0.002 0.000 0.989 168 I CA -2.571 58.728 61.300 -0.001 0.000 1.188 168 I CB 0.310 38.316 38.000 0.010 0.000 1.342 168 I HN 0.340 8.557 8.210 0.012 0.000 0.457 169 T N 4.631 119.175 114.554 -0.017 0.000 2.924 169 T HA 0.375 4.720 4.350 -0.008 0.000 0.291 169 T C -1.902 172.771 174.700 -0.045 0.000 1.045 169 T CA -2.081 60.007 62.100 -0.020 0.000 1.015 169 T CB 2.503 71.359 68.868 -0.020 0.000 1.103 169 T HN 0.235 8.459 8.240 -0.026 0.000 0.496 170 Q N 4.369 124.139 119.800 -0.049 0.000 2.353 170 Q HA 0.772 5.205 4.340 -0.125 -0.168 0.268 170 Q C -1.088 174.863 176.000 -0.081 0.000 1.045 170 Q CA -1.153 54.594 55.803 -0.094 0.000 0.811 170 Q CB 3.558 32.236 28.738 -0.101 0.000 1.305 170 Q HN 0.054 8.305 8.270 -0.032 0.000 0.447 171 G N 4.095 112.833 108.800 -0.103 0.000 2.772 171 G HA2 0.719 4.641 3.960 -0.062 0.000 0.284 171 G HA3 0.719 4.812 3.960 -0.069 -0.174 0.284 171 G C -2.605 172.244 174.900 -0.083 0.000 1.217 171 G CA 0.153 45.206 45.100 -0.077 0.000 0.831 171 G HN 0.427 8.640 8.290 -0.129 0.000 0.523 172 I N -6.035 114.500 120.570 -0.059 0.000 3.145 172 I HA 0.944 5.252 4.170 -0.053 -0.170 0.313 172 I C -0.853 175.244 176.117 -0.033 0.000 1.122 172 I CA -2.737 58.537 61.300 -0.044 0.000 0.987 172 I CB 4.444 42.431 38.000 -0.023 0.000 1.236 172 I HN 0.676 9.204 8.210 -0.053 -0.350 0.453 173 I N 1.100 121.662 120.570 -0.013 0.000 2.517 173 I HA 0.009 4.283 4.170 -0.007 -0.108 0.285 173 I C 0.412 176.532 176.117 0.005 0.000 1.106 173 I CA -0.392 60.908 61.300 0.001 0.000 1.402 173 I CB -2.037 35.978 38.000 0.024 0.000 1.399 173 I HN 0.095 8.301 8.210 -0.007 0.000 0.535 174 S N 9.552 125.248 115.700 -0.006 0.000 2.470 174 S HA 0.085 4.555 4.470 0.000 0.000 0.222 174 S C -1.035 173.577 174.600 0.021 0.000 1.024 174 S CA 1.062 59.260 58.200 -0.003 0.000 0.931 174 S CB 0.887 64.068 63.200 -0.032 0.000 0.791 174 S HN 0.819 9.009 8.310 -0.017 0.110 0.513 175 A N -1.535 121.307 122.820 0.036 0.000 2.605 175 A HA 0.323 4.674 4.320 0.053 0.000 0.294 175 A C -2.757 174.871 177.584 0.072 0.000 1.062 175 A CA 0.272 52.344 52.037 0.059 0.000 0.682 175 A CB 2.373 21.419 19.000 0.076 0.000 1.278 175 A HN -0.855 7.314 8.150 0.032 0.000 0.410 176 T N -0.716 113.877 114.554 0.065 0.000 3.331 176 T HA 0.069 4.463 4.350 0.073 0.000 0.381 176 T C 0.044 174.779 174.700 0.058 0.000 1.656 176 T CA -1.649 60.486 62.100 0.059 0.000 1.453 176 T CB -0.323 68.560 68.868 0.026 0.000 1.066 176 T HN 0.104 8.380 8.240 0.059 0.000 0.655 177 G N 5.482 114.337 108.800 0.091 0.000 2.795 177 G HA2 -0.430 3.701 3.960 0.092 0.000 0.664 177 G HA3 -0.430 3.587 3.960 0.037 -0.034 0.664 177 G C -1.999 172.940 174.900 0.065 0.000 1.381 177 G CA -0.418 44.725 45.100 0.071 0.000 0.853 177 G HN 0.188 8.556 8.290 0.130 0.000 0.545 178 R N -0.325 120.201 120.500 0.043 0.000 2.621 178 R HA 0.298 4.660 4.340 0.037 0.000 0.284 178 R C 0.692 176.998 176.300 0.009 0.000 0.998 178 R CA -2.321 53.799 56.100 0.033 0.000 0.895 178 R CB 2.760 33.084 30.300 0.040 0.000 1.195 178 R HN -0.161 8.019 8.270 0.028 0.107 0.450 179 I N -2.496 118.078 120.570 0.008 0.000 2.406 179 I HA -0.057 4.110 4.170 -0.006 0.000 0.249 179 I C 0.105 176.218 176.117 -0.007 0.000 1.122 179 I CA 1.448 62.747 61.300 -0.002 0.000 1.431 179 I CB 0.098 38.099 38.000 0.001 0.000 1.087 179 I HN 0.158 8.376 8.210 0.013 0.000 0.424 180 G N -1.015 107.783 108.800 -0.004 0.000 2.932 180 G HA2 0.225 4.179 3.960 -0.011 0.000 0.283 180 G HA3 0.225 4.182 3.960 -0.005 0.000 0.283 180 G C -1.820 173.074 174.900 -0.011 0.000 1.336 180 G CA -1.013 44.083 45.100 -0.008 0.000 1.056 180 G HN -0.622 7.669 8.290 0.001 0.000 0.522 181 L N -1.006 120.209 121.223 -0.013 0.000 2.525 181 L HA -0.139 4.187 4.340 -0.023 0.000 0.278 181 L C -0.242 176.619 176.870 -0.016 0.000 1.218 181 L CA 1.001 55.831 54.840 -0.018 0.000 0.878 181 L CB -0.455 41.594 42.059 -0.017 0.000 1.127 181 L HN 0.091 8.314 8.230 -0.012 0.000 0.492 182 N N 3.084 121.769 118.700 -0.025 0.000 2.927 182 N HA 0.312 5.039 4.740 -0.023 0.000 0.248 182 N C -1.781 173.697 175.510 -0.054 0.000 1.443 182 N CA -1.057 51.976 53.050 -0.028 0.000 0.870 182 N CB 0.231 38.710 38.487 -0.012 0.000 1.444 182 N HN -0.383 7.978 8.380 -0.030 0.000 0.519 183 P HA -0.084 4.276 4.420 -0.100 0.000 0.222 183 P C 0.016 177.210 177.300 -0.176 0.000 1.147 183 P CA 1.884 64.909 63.100 -0.124 0.000 0.790 183 P CB 0.100 31.702 31.700 -0.163 0.000 0.780 184 T N -6.561 107.883 114.554 -0.184 0.000 3.035 184 T HA -0.132 4.030 4.350 -0.312 0.000 0.268 184 T C 1.378 176.020 174.700 -0.097 0.000 1.109 184 T CA 0.474 62.440 62.100 -0.224 0.000 1.119 184 T CB 0.317 69.033 68.868 -0.253 0.000 0.900 184 T HN -0.457 7.918 8.240 -0.148 -0.223 0.503 185 G N 1.368 110.122 108.800 -0.075 0.000 2.189 185 G HA2 -0.392 3.535 3.960 -0.054 0.000 0.267 185 G HA3 -0.392 3.534 3.960 -0.056 0.000 0.267 185 G C -0.401 174.461 174.900 -0.062 0.000 0.975 185 G CA 0.462 45.528 45.100 -0.058 0.000 0.644 185 G HN -0.260 7.832 8.290 -0.078 0.151 0.537 186 R N -2.499 117.964 120.500 -0.062 0.000 2.888 186 R HA 0.416 4.669 4.340 -0.145 0.000 0.266 186 R C -1.192 175.048 176.300 -0.100 0.000 1.020 186 R CA -2.555 53.464 56.100 -0.134 0.000 0.963 186 R CB 2.096 32.207 30.300 -0.315 0.000 1.197 186 R HN -0.513 7.674 8.270 -0.035 0.062 0.481 187 Q N -2.204 117.513 119.800 -0.137 0.000 2.280 187 Q HA 0.154 4.547 4.340 -0.041 -0.078 0.228 187 Q C 0.470 176.423 176.000 -0.079 0.000 0.857 187 Q CA 0.688 56.444 55.803 -0.079 0.000 0.939 187 Q CB 1.093 29.789 28.738 -0.071 0.000 1.114 187 Q HN 0.392 8.552 8.270 -0.183 0.000 0.514 188 N N -0.677 117.923 118.700 -0.166 0.000 2.200 188 N HA 0.041 4.741 4.740 -0.066 0.000 0.224 188 N C -1.499 173.968 175.510 -0.072 0.000 1.179 188 N CA -0.253 52.720 53.050 -0.128 0.000 0.877 188 N CB 0.225 38.610 38.487 -0.169 0.000 1.072 188 N HN -0.126 8.088 8.380 -0.275 0.000 0.519 189 F N -0.033 119.923 119.950 0.011 0.000 2.484 189 F HA -0.047 4.636 4.527 0.065 -0.117 0.360 189 F C -0.038 175.829 175.800 0.112 0.000 1.101 189 F CA 0.574 58.617 58.000 0.072 0.000 1.251 189 F CB 0.378 39.437 39.000 0.098 0.000 1.132 189 F HN -0.657 7.661 8.300 0.030 0.000 0.570 190 L N 1.710 123.142 121.223 0.347 0.000 2.426 190 L HA 0.037 4.623 4.340 0.176 -0.140 0.271 190 L C -0.553 176.456 176.870 0.231 0.000 1.169 190 L CA -0.123 54.849 54.840 0.221 0.000 0.836 190 L CB 0.224 42.373 42.059 0.150 0.000 1.112 190 L HN 0.304 8.741 8.230 0.346 0.000 0.465 191 Q N 3.117 122.990 119.800 0.121 0.000 2.309 191 Q HA 0.841 5.266 4.340 -0.180 -0.193 0.264 191 Q C -1.139 174.803 176.000 -0.098 0.000 1.008 191 Q CA -1.661 54.108 55.803 -0.056 0.000 0.853 191 Q CB 3.883 32.604 28.738 -0.029 0.000 1.314 191 Q HN 0.076 8.410 8.270 0.107 0.000 0.448 192 T N 4.164 118.605 114.554 -0.190 0.000 2.894 192 T HA 0.678 5.114 4.350 -0.088 -0.139 0.309 192 T C -1.642 172.970 174.700 -0.147 0.000 1.208 192 T CA -2.681 59.345 62.100 -0.124 0.000 1.016 192 T CB 1.571 70.386 68.868 -0.087 0.000 1.192 192 T HN 0.587 8.644 8.240 -0.305 0.000 0.491 193 D N 4.629 124.970 120.400 -0.098 0.000 2.368 193 D HA 0.200 4.841 4.640 -0.103 -0.063 0.218 193 D C -0.117 176.141 176.300 -0.070 0.000 1.112 193 D CA -1.664 52.285 54.000 -0.086 0.000 0.834 193 D CB -0.324 40.440 40.800 -0.060 0.000 0.953 193 D HN -0.065 8.258 8.370 -0.079 0.000 0.505 194 A N 1.142 123.917 122.820 -0.074 0.000 2.492 194 A HA -0.126 4.316 4.320 -0.057 -0.156 0.254 194 A C -0.645 176.904 177.584 -0.058 0.000 1.091 194 A CA 0.729 52.728 52.037 -0.064 0.000 0.768 194 A CB 0.464 19.423 19.000 -0.068 0.000 1.028 194 A HN -0.711 7.342 8.150 -0.079 0.049 0.498 195 S N 0.877 116.552 115.700 -0.041 0.000 2.525 195 S HA -0.074 4.374 4.470 -0.036 0.000 0.285 195 S C -0.775 173.804 174.600 -0.035 0.000 1.283 195 S CA 0.008 58.189 58.200 -0.031 0.000 1.072 195 S CB 0.413 63.608 63.200 -0.008 0.000 0.867 195 S HN -0.034 8.255 8.310 -0.035 0.000 0.492 196 I N 4.561 125.107 120.570 -0.041 0.000 2.509 196 I HA 0.117 4.385 4.170 -0.055 -0.131 0.293 196 I C -1.360 174.729 176.117 -0.046 0.000 1.020 196 I CA -1.400 59.871 61.300 -0.048 0.000 1.088 196 I CB 1.545 39.515 38.000 -0.049 0.000 1.267 196 I HN 0.064 8.249 8.210 -0.041 0.000 0.430 197 N N 2.504 121.146 118.700 -0.097 0.000 2.697 197 N HA 0.302 4.999 4.740 -0.071 0.000 0.272 197 N C -1.669 173.704 175.510 -0.228 0.000 1.381 197 N CA -1.482 51.470 53.050 -0.164 0.000 0.797 197 N CB 4.022 42.330 38.487 -0.299 0.000 1.523 197 N HN -0.002 8.611 8.380 -0.119 -0.305 0.518 198 H N 0.153 119.006 119.070 -0.362 0.000 3.157 198 H HA -0.355 4.117 4.556 -0.140 0.000 0.299 198 H C 0.585 175.705 175.328 -0.347 0.000 0.961 198 H CA 3.081 58.965 56.048 -0.272 0.000 1.428 198 H CB 0.256 29.913 29.762 -0.175 0.000 1.459 198 H HN 0.555 8.746 8.280 -0.150 0.000 0.566 199 G N 5.949 114.360 108.800 -0.649 0.000 2.278 199 G HA2 -0.449 3.318 3.960 -0.546 0.000 0.210 199 G HA3 -0.449 3.395 3.960 -0.467 -0.164 0.210 199 G C 0.337 175.066 174.900 -0.286 0.000 1.000 199 G CA 0.809 45.609 45.100 -0.500 0.000 0.635 199 G HN 0.511 8.467 8.290 -0.558 0.000 0.495 200 N N 0.663 119.234 118.700 -0.214 0.000 2.416 200 N HA -0.099 4.565 4.740 -0.128 0.000 0.177 200 N C 0.027 175.488 175.510 -0.082 0.000 1.036 200 N CA 1.576 54.549 53.050 -0.128 0.000 0.901 200 N CB 0.910 39.341 38.487 -0.094 0.000 0.976 200 N HN 0.033 8.224 8.380 -0.222 0.056 0.444 201 S N -1.628 114.038 115.700 -0.056 0.000 2.549 201 S HA -0.418 4.214 4.470 0.038 -0.139 0.286 201 S C 0.688 175.247 174.600 -0.069 0.000 1.314 201 S CA 2.765 60.967 58.200 0.004 0.000 1.062 201 S CB 0.150 63.438 63.200 0.146 0.000 0.865 201 S HN -0.462 7.807 8.310 -0.068 0.000 0.498 202 G N 4.753 113.529 108.800 -0.040 0.000 2.213 202 G HA2 -0.413 3.525 3.960 -0.037 0.000 0.236 202 G HA3 -0.413 3.667 3.960 -0.089 -0.172 0.236 202 G C -0.356 174.523 174.900 -0.036 0.000 0.991 202 G CA 0.041 45.109 45.100 -0.054 0.000 0.629 202 G HN 0.746 9.096 8.290 0.002 -0.059 0.517 203 G N 0.462 109.240 108.800 -0.037 0.000 2.563 203 G HA2 0.397 4.336 3.960 -0.036 0.000 0.283 203 G HA3 0.397 4.476 3.960 -0.043 -0.145 0.283 203 G C -2.369 172.524 174.900 -0.011 0.000 1.309 203 G CA -1.548 43.532 45.100 -0.033 0.000 1.022 203 G HN -0.442 7.759 8.290 -0.039 0.066 0.501 204 A N -2.143 120.669 122.820 -0.014 0.000 2.306 204 A HA 0.546 4.990 4.320 0.004 -0.122 0.314 204 A C -2.127 175.449 177.584 -0.013 0.000 1.164 204 A CA -1.570 50.462 52.037 -0.008 0.000 0.822 204 A CB 2.505 21.494 19.000 -0.017 0.000 1.130 204 A HN -0.216 7.921 8.150 -0.021 0.000 0.496 205 L N 3.949 125.169 121.223 -0.004 0.000 2.305 205 L HA 0.885 5.406 4.340 -0.026 -0.196 0.284 205 L C -1.689 175.163 176.870 -0.031 0.000 1.013 205 L CA -1.213 53.619 54.840 -0.015 0.000 0.819 205 L CB 3.143 45.206 42.059 0.007 0.000 1.227 205 L HN 0.048 8.283 8.230 0.009 0.000 0.417 206 V N 1.435 121.319 119.914 -0.049 0.000 2.914 206 V HA 0.979 5.204 4.120 -0.078 -0.152 0.314 206 V C -1.578 174.475 176.094 -0.068 0.000 1.084 206 V CA -3.736 58.525 62.300 -0.065 0.000 0.963 206 V CB 3.769 35.556 31.823 -0.060 0.000 1.025 206 V HN 0.701 8.860 8.190 -0.052 0.000 0.432 207 N N 1.425 120.086 118.700 -0.065 0.000 2.431 207 N HA 0.459 5.320 4.740 -0.066 -0.161 0.289 207 N C 1.903 177.393 175.510 -0.034 0.000 1.277 207 N CA -1.571 51.448 53.050 -0.051 0.000 0.972 207 N CB 0.912 39.383 38.487 -0.026 0.000 1.143 207 N HN -0.094 8.242 8.380 -0.075 0.000 0.578 208 S N -0.545 115.155 115.700 0.001 0.000 2.507 208 S HA -0.168 4.362 4.470 0.100 0.000 0.235 208 S C 0.894 175.547 174.600 0.087 0.000 0.988 208 S CA 2.386 60.640 58.200 0.089 0.000 0.944 208 S CB -0.737 62.571 63.200 0.179 0.000 0.762 208 S HN 0.418 8.732 8.310 0.005 0.000 0.526 209 L N -0.993 120.252 121.223 0.036 0.000 2.592 209 L HA 0.064 4.424 4.340 0.033 0.000 0.227 209 L C 0.204 177.075 176.870 0.002 0.000 1.127 209 L CA -0.259 54.594 54.840 0.021 0.000 0.884 209 L CB 0.162 42.226 42.059 0.008 0.000 1.065 209 L HN -0.630 7.808 8.230 0.020 -0.196 0.457 210 G N -2.478 106.318 108.800 -0.008 0.000 2.157 210 G HA2 -0.486 3.461 3.960 -0.021 0.000 0.248 210 G HA3 -0.486 3.465 3.960 -0.014 0.000 0.248 210 G C -0.494 174.370 174.900 -0.059 0.000 0.979 210 G CA 0.059 45.145 45.100 -0.023 0.000 0.650 210 G HN -0.240 7.938 8.290 -0.005 0.110 0.529 211 E N -0.156 119.994 120.200 -0.083 0.000 2.338 211 E HA -0.140 4.253 4.350 -0.151 -0.133 0.272 211 E C -0.668 175.806 176.600 -0.210 0.000 1.029 211 E CA -0.543 55.765 56.400 -0.153 0.000 0.872 211 E CB 0.925 30.526 29.700 -0.164 0.000 1.015 211 E HN -0.665 7.845 8.360 -0.068 -0.191 0.417 212 L N 4.973 126.025 121.223 -0.286 0.000 2.477 212 L HA -0.206 4.031 4.340 -0.170 0.000 0.272 212 L C -0.885 175.712 176.870 -0.454 0.000 1.157 212 L CA 1.357 56.024 54.840 -0.288 0.000 0.889 212 L CB 0.176 42.096 42.059 -0.231 0.000 1.158 212 L HN 0.028 8.087 8.230 -0.286 0.000 0.473 213 M N 4.150 123.656 119.600 -0.157 0.000 2.571 213 M HA 0.215 4.709 4.480 0.024 0.000 0.259 213 M C -0.070 176.369 176.300 0.232 0.000 1.205 213 M CA -0.214 55.104 55.300 0.029 0.000 1.138 213 M CB 1.994 34.610 32.600 0.027 0.000 1.329 213 M HN 0.589 8.826 8.290 -0.090 0.000 0.503 214 G N -3.571 105.314 108.800 0.143 0.000 2.495 214 G HA2 0.323 4.565 3.960 0.222 0.000 0.294 214 G HA3 0.323 4.390 3.960 0.154 -0.015 0.294 214 G C -2.980 171.985 174.900 0.110 0.000 1.397 214 G CA 0.467 45.667 45.100 0.166 0.000 0.790 214 G HN -0.556 7.779 8.290 0.074 0.000 0.486 215 I N -0.898 119.741 120.570 0.114 0.000 2.355 215 I HA 0.602 4.975 4.170 0.062 -0.166 0.288 215 I C -0.663 175.511 176.117 0.096 0.000 0.999 215 I CA -3.545 57.806 61.300 0.085 0.000 1.163 215 I CB 0.337 38.385 38.000 0.081 0.000 1.316 215 I HN 0.111 8.401 8.210 0.132 0.000 0.454 216 N N 8.690 127.428 118.700 0.063 0.000 2.479 216 N HA 0.080 4.984 4.740 0.079 -0.117 0.257 216 N C 0.197 175.763 175.510 0.094 0.000 1.232 216 N CA 1.105 54.194 53.050 0.065 0.000 0.920 216 N CB 0.970 39.469 38.487 0.020 0.000 1.105 216 N HN 0.193 8.597 8.380 0.041 0.000 0.444 217 T N -2.602 112.024 114.554 0.119 0.000 2.604 217 T HA 0.517 5.153 4.350 0.211 -0.160 0.267 217 T C -0.429 174.345 174.700 0.124 0.000 0.923 217 T CA -2.542 59.661 62.100 0.172 0.000 1.077 217 T CB 2.765 71.767 68.868 0.222 0.000 1.392 217 T HN 0.200 8.502 8.240 0.104 0.000 0.531 218 L N 1.254 122.538 121.223 0.102 0.000 2.453 218 L HA 0.027 4.408 4.340 0.068 0.000 0.272 218 L C 0.747 177.683 176.870 0.111 0.000 1.182 218 L CA 1.003 55.876 54.840 0.055 0.000 0.858 218 L CB 0.066 42.096 42.059 -0.049 0.000 1.120 218 L HN 0.368 8.659 8.230 0.102 0.000 0.474 219 S N 1.560 117.326 115.700 0.109 0.000 2.693 219 S HA 0.011 4.579 4.470 0.163 0.000 0.276 219 S C -1.015 173.739 174.600 0.258 0.000 1.192 219 S CA -1.303 56.980 58.200 0.139 0.000 0.994 219 S CB 1.713 64.932 63.200 0.031 0.000 1.012 219 S HN -0.208 8.149 8.310 0.079 0.000 0.550 220 F N 2.406 122.412 119.950 0.094 0.000 2.439 220 F HA -0.095 4.501 4.527 0.115 0.000 0.356 220 F C -1.521 174.302 175.800 0.039 0.000 1.161 220 F CA 0.285 58.349 58.000 0.107 0.000 1.151 220 F CB 0.506 39.602 39.000 0.159 0.000 1.222 220 F HN -0.303 8.184 8.300 0.312 0.000 0.558 221 D N 3.917 124.308 120.400 -0.016 0.000 2.388 221 D HA 0.141 4.704 4.640 -0.128 0.000 0.208 221 D C -0.972 175.190 176.300 -0.229 0.000 1.035 221 D CA 0.934 54.863 54.000 -0.119 0.000 0.875 221 D CB 1.637 42.431 40.800 -0.009 0.000 0.984 221 D HN -0.006 8.448 8.370 0.139 0.000 0.508 222 K N -2.619 117.612 120.400 -0.282 0.000 2.619 222 K HA 0.384 4.689 4.320 -0.267 -0.145 0.251 222 K C -1.091 175.382 176.600 -0.213 0.000 0.987 222 K CA -1.305 54.843 56.287 -0.231 0.000 0.844 222 K CB 2.035 34.492 32.500 -0.072 0.000 1.237 222 K HN -0.752 7.366 8.250 -0.219 0.000 0.447 223 S N 5.585 121.121 115.700 -0.272 0.000 2.624 223 S HA 0.246 4.906 4.470 0.316 0.000 0.263 223 S C 1.429 176.084 174.600 0.092 0.000 1.287 223 S CA -0.577 57.640 58.200 0.028 0.000 0.990 223 S CB 1.458 64.668 63.200 0.017 0.000 0.950 223 S HN 0.330 8.457 8.310 -0.306 0.000 0.561 224 N N 0.853 119.642 118.700 0.149 0.000 2.309 224 N HA -0.188 4.599 4.740 0.077 0.000 0.182 224 N C 0.687 176.228 175.510 0.052 0.000 1.018 224 N CA 1.833 54.936 53.050 0.088 0.000 0.876 224 N CB -0.921 37.617 38.487 0.084 0.000 0.972 224 N HN 0.428 8.933 8.380 0.208 0.000 0.434 225 D N -3.283 117.147 120.400 0.050 0.000 2.349 225 D HA -0.012 4.643 4.640 0.026 0.000 0.224 225 D C 0.387 176.693 176.300 0.009 0.000 1.029 225 D CA -0.113 53.904 54.000 0.028 0.000 0.879 225 D CB -0.586 40.231 40.800 0.030 0.000 0.906 225 D HN 0.028 8.415 8.370 0.066 0.023 0.528 226 G N -1.536 107.265 108.800 0.000 0.000 2.176 226 G HA2 -0.458 3.491 3.960 -0.018 0.000 0.253 226 G HA3 -0.458 3.495 3.960 -0.011 0.000 0.253 226 G C -0.670 174.207 174.900 -0.038 0.000 0.979 226 G CA -0.043 45.046 45.100 -0.017 0.000 0.641 226 G HN -0.256 7.857 8.290 0.006 0.181 0.530 227 E N 0.620 120.790 120.200 -0.049 0.000 2.374 227 E HA 0.138 4.456 4.350 -0.054 0.000 0.260 227 E C -1.607 174.918 176.600 -0.125 0.000 1.101 227 E CA -0.866 55.493 56.400 -0.069 0.000 0.907 227 E CB 0.879 30.547 29.700 -0.054 0.000 1.014 227 E HN -0.488 7.800 8.360 -0.038 0.050 0.427 228 T N 4.549 119.035 114.554 -0.114 0.000 2.762 228 T HA 0.457 4.699 4.350 -0.180 0.000 0.303 228 T C -1.947 172.653 174.700 -0.167 0.000 0.977 228 T CA -2.943 59.071 62.100 -0.143 0.000 0.961 228 T CB 0.305 69.120 68.868 -0.088 0.000 0.944 228 T HN 0.151 8.340 8.240 -0.085 0.000 0.481 229 P HA 0.087 4.408 4.420 -0.166 0.000 0.271 229 P C -1.823 175.400 177.300 -0.129 0.000 1.218 229 P CA -0.459 62.500 63.100 -0.235 0.000 0.780 229 P CB 0.770 32.193 31.700 -0.461 0.000 0.901 230 E N 0.983 121.140 120.200 -0.071 0.000 2.210 230 E HA 0.048 4.368 4.350 -0.051 0.000 0.266 230 E C -0.197 176.379 176.600 -0.040 0.000 0.883 230 E CA -0.578 55.794 56.400 -0.048 0.000 0.761 230 E CB 1.282 30.962 29.700 -0.034 0.000 1.156 230 E HN -0.000 8.326 8.360 -0.055 0.000 0.412 231 G N 3.358 112.130 108.800 -0.047 0.000 2.176 231 G HA2 -0.394 3.529 3.960 -0.062 0.000 0.252 231 G HA3 -0.394 3.537 3.960 -0.049 0.000 0.252 231 G C -1.196 173.649 174.900 -0.092 0.000 1.024 231 G CA 0.404 45.468 45.100 -0.059 0.000 0.755 231 G HN 0.619 8.881 8.290 -0.046 0.000 0.507 232 I N 0.524 121.033 120.570 -0.103 0.000 2.405 232 I HA 0.098 4.112 4.170 -0.260 0.000 0.280 232 I C -1.936 173.972 176.117 -0.349 0.000 1.027 232 I CA -0.864 60.317 61.300 -0.197 0.000 1.161 232 I CB 0.286 38.285 38.000 -0.001 0.000 1.300 232 I HN -0.410 7.754 8.210 -0.075 0.000 0.463 233 G N 5.114 113.584 108.800 -0.549 0.000 2.605 233 G HA2 0.411 4.115 3.960 -0.425 0.000 0.296 233 G HA3 0.411 4.190 3.960 -0.301 0.000 0.296 233 G C -2.566 171.833 174.900 -0.836 0.000 1.304 233 G CA -1.513 43.272 45.100 -0.526 0.000 0.941 233 G HN -0.048 7.930 8.290 -0.521 0.000 0.475 234 F N -2.295 117.558 119.950 -0.161 0.000 2.563 234 F HA 0.942 5.561 4.527 -0.177 -0.198 0.316 234 F C -1.488 174.242 175.800 -0.118 0.000 1.076 234 F CA -1.665 56.179 58.000 -0.260 0.000 0.921 234 F CB 5.045 43.588 39.000 -0.761 0.000 1.209 234 F HN -0.157 8.073 8.300 -0.117 0.000 0.462 235 A N -0.433 122.519 122.820 0.220 0.000 2.539 235 A HA 0.745 5.320 4.320 0.213 -0.127 0.296 235 A C -2.196 175.608 177.584 0.368 0.000 1.073 235 A CA -1.870 50.309 52.037 0.236 0.000 0.700 235 A CB 4.040 23.122 19.000 0.137 0.000 1.296 235 A HN 0.795 9.115 8.150 0.283 0.000 0.405 236 I N 0.774 121.518 120.570 0.291 0.000 2.416 236 I HA 0.332 4.626 4.170 0.208 0.000 0.288 236 I C -1.745 174.452 176.117 0.134 0.000 1.051 236 I CA -4.183 57.238 61.300 0.202 0.000 1.375 236 I CB -0.226 37.856 38.000 0.136 0.000 1.407 236 I HN 0.196 8.553 8.210 0.244 0.000 0.516 237 P HA 0.062 4.678 4.420 0.120 -0.125 0.266 237 P C 0.996 178.317 177.300 0.035 0.000 1.195 237 P CA 0.005 63.139 63.100 0.058 0.000 0.768 237 P CB 0.111 31.790 31.700 -0.036 0.000 0.838 238 F N 3.841 123.794 119.950 0.004 0.000 2.216 238 F HA -0.408 4.121 4.527 0.003 0.000 0.300 238 F C 0.920 176.714 175.800 -0.010 0.000 1.085 238 F CA 3.384 61.383 58.000 -0.001 0.000 1.326 238 F CB -0.322 38.677 39.000 -0.003 0.000 1.027 238 F HN -0.243 8.288 8.300 0.384 0.000 0.497 239 Q N -1.039 118.173 119.800 -0.980 0.000 2.084 239 Q HA -0.381 3.540 4.340 -0.698 0.000 0.202 239 Q C 2.404 178.225 176.000 -0.298 0.000 0.978 239 Q CA 3.290 58.664 55.803 -0.715 0.000 0.844 239 Q CB -0.892 27.433 28.738 -0.688 0.000 0.898 239 Q HN -0.063 7.512 8.270 -1.159 0.000 0.426 240 L N -0.848 120.241 121.223 -0.224 0.000 2.056 240 L HA -0.272 3.990 4.340 -0.130 0.000 0.207 240 L C 1.189 178.010 176.870 -0.082 0.000 1.078 240 L CA 2.586 57.347 54.840 -0.132 0.000 0.749 240 L CB -0.728 41.262 42.059 -0.114 0.000 0.901 240 L HN -0.782 7.303 8.230 -0.242 0.000 0.433 241 A N -2.775 120.017 122.820 -0.048 0.000 1.902 241 A HA -0.355 3.961 4.320 -0.008 0.000 0.217 241 A C 1.897 179.479 177.584 -0.003 0.000 1.181 241 A CA 3.391 55.427 52.037 -0.003 0.000 0.623 241 A CB -0.703 18.326 19.000 0.048 0.000 0.818 241 A HN -0.225 7.897 8.150 -0.047 0.000 0.443 242 T N -3.787 110.766 114.554 -0.001 0.000 2.821 242 T HA -0.394 3.967 4.350 0.017 0.000 0.267 242 T C 2.083 176.765 174.700 -0.031 0.000 1.046 242 T CA 3.736 65.839 62.100 0.005 0.000 1.139 242 T CB -0.311 68.582 68.868 0.042 0.000 0.871 242 T HN -0.148 8.085 8.240 -0.011 0.000 0.454 243 K N 2.188 122.556 120.400 -0.054 0.000 2.026 243 K HA -0.261 4.026 4.320 -0.055 0.000 0.208 243 K C 2.375 178.944 176.600 -0.053 0.000 1.048 243 K CA 3.315 59.567 56.287 -0.058 0.000 0.929 243 K CB -0.217 32.241 32.500 -0.071 0.000 0.713 243 K HN -0.811 7.398 8.250 -0.068 0.000 0.439 244 I N -0.474 120.066 120.570 -0.049 0.000 2.179 244 I HA -0.430 3.713 4.170 -0.045 0.000 0.242 244 I C 1.826 177.916 176.117 -0.044 0.000 1.088 244 I CA 2.475 63.750 61.300 -0.043 0.000 1.357 244 I CB -0.876 37.103 38.000 -0.035 0.000 1.051 244 I HN -0.494 7.687 8.210 -0.049 0.000 0.409 245 M N 0.719 120.294 119.600 -0.041 0.000 2.080 245 M HA -0.571 3.879 4.480 -0.050 0.000 0.260 245 M C 1.518 177.761 176.300 -0.095 0.000 1.068 245 M CA 4.516 59.783 55.300 -0.055 0.000 1.109 245 M CB -0.249 32.327 32.600 -0.040 0.000 1.342 245 M HN -0.069 8.201 8.290 -0.033 0.000 0.405 246 D N -1.155 119.193 120.400 -0.087 0.000 2.149 246 D HA -0.345 4.213 4.640 -0.136 0.000 0.198 246 D C 2.590 178.832 176.300 -0.096 0.000 0.990 246 D CA 3.412 57.350 54.000 -0.103 0.000 0.839 246 D CB -0.672 40.084 40.800 -0.073 0.000 0.948 246 D HN -0.314 8.016 8.370 -0.068 0.000 0.460 247 K N -0.533 119.823 120.400 -0.073 0.000 2.057 247 K HA -0.277 4.008 4.320 -0.059 0.000 0.206 247 K C 2.307 178.870 176.600 -0.062 0.000 1.050 247 K CA 3.261 59.512 56.287 -0.060 0.000 0.935 247 K CB 0.079 32.550 32.500 -0.048 0.000 0.715 247 K HN -0.796 7.406 8.250 -0.066 0.008 0.439 248 L N -1.125 120.060 121.223 -0.064 0.000 2.093 248 L HA -0.338 3.979 4.340 -0.040 0.000 0.208 248 L C 2.428 179.254 176.870 -0.074 0.000 1.085 248 L CA 2.996 57.803 54.840 -0.054 0.000 0.755 248 L CB -0.228 41.806 42.059 -0.040 0.000 0.904 248 L HN -0.315 7.877 8.230 -0.065 0.000 0.435 249 I N -1.402 119.085 120.570 -0.139 0.000 2.252 249 I HA -0.480 3.576 4.170 -0.190 0.000 0.245 249 I C 1.594 177.633 176.117 -0.129 0.000 1.102 249 I CA 3.514 64.684 61.300 -0.216 0.000 1.385 249 I CB -0.290 37.440 38.000 -0.450 0.000 1.064 249 I HN -0.144 7.974 8.210 -0.153 0.000 0.414 250 R N -0.987 119.450 120.500 -0.104 0.000 2.090 250 R HA -0.197 4.104 4.340 -0.066 0.000 0.228 250 R C 1.190 177.465 176.300 -0.041 0.000 1.110 250 R CA 2.826 58.886 56.100 -0.067 0.000 0.973 250 R CB 0.550 30.813 30.300 -0.061 0.000 0.869 250 R HN -0.499 7.707 8.270 -0.107 0.000 0.440 251 D N -5.339 115.039 120.400 -0.038 0.000 2.479 251 D HA 0.141 4.769 4.640 -0.019 0.000 0.216 251 D C 0.657 176.948 176.300 -0.016 0.000 1.110 251 D CA 0.136 54.122 54.000 -0.024 0.000 0.841 251 D CB 1.448 42.233 40.800 -0.024 0.000 1.040 251 D HN -0.490 7.853 8.370 -0.045 0.000 0.505 252 G N -0.711 108.079 108.800 -0.017 0.000 2.184 252 G HA2 -0.470 3.702 3.960 -0.001 0.000 0.264 252 G HA3 -0.470 3.490 3.960 0.001 0.000 0.264 252 G C -1.656 173.239 174.900 -0.008 0.000 0.975 252 G CA 0.507 45.603 45.100 -0.005 0.000 0.642 252 G HN 0.310 8.486 8.290 -0.027 0.098 0.536 253 R N -3.413 117.078 120.500 -0.015 0.000 2.709 253 R HA 0.282 4.614 4.340 -0.013 0.000 0.270 253 R C -2.433 173.855 176.300 -0.021 0.000 1.038 253 R CA -1.095 54.996 56.100 -0.015 0.000 0.872 253 R CB 2.188 32.482 30.300 -0.010 0.000 1.259 253 R HN -0.834 7.348 8.270 -0.020 0.076 0.473 254 V N 1.952 121.853 119.914 -0.021 0.000 2.397 254 V HA -0.037 4.066 4.120 -0.029 0.000 0.262 254 V C -0.561 175.520 176.094 -0.022 0.000 1.047 254 V CA 0.347 62.632 62.300 -0.025 0.000 1.003 254 V CB -0.135 31.671 31.823 -0.027 0.000 1.037 254 V HN 0.307 8.485 8.190 -0.019 0.000 0.480 255 I N 7.318 127.874 120.570 -0.023 0.000 2.416 255 I HA 0.011 4.171 4.170 -0.018 0.000 0.288 255 I C 0.093 176.197 176.117 -0.022 0.000 1.051 255 I CA 0.297 61.585 61.300 -0.020 0.000 1.375 255 I CB 0.083 38.071 38.000 -0.019 0.000 1.407 255 I HN 0.205 8.400 8.210 -0.025 0.000 0.516 256 R N 0.000 120.488 120.500 -0.020 0.000 2.786 256 R HA 0.000 4.326 4.340 -0.024 0.000 0.208 256 R CA 0.000 56.087 56.100 -0.021 0.000 0.921 256 R CB 0.000 30.288 30.300 -0.020 0.000 0.687 256 R HN 0.000 8.259 8.270 -0.018 0.000 0.535