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 1xvm_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGTSASAG DFPFIVSISR NGGPWCGGSL LNANTVLTAA HCVSGYAQSG DATA SEQUENCE FQIRAGSLSR TSGGITSSLS SVRVHPSYSG NNNDLAILKL STSIPSGGNI DATA SEQUENCE GYARLAASGS DPVAGSSATV AGWGATSEGG SSTPVNLLKV TVPIVSRATc DATA SEQUENCE RAQYGTSAIT NQMFcAGVSS GGKDScQGDS GGPIVDSSNT LIGAVSWGNG DATA SEQUENCE cARPNYSGVY ASVGALRSFI DTYA 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 16 I HA 0.000 4.166 4.170 -0.007 0.000 0.288 16 I C 0.000 176.115 176.117 -0.003 0.000 1.063 16 I CA 0.000 61.291 61.300 -0.015 0.000 1.566 16 I CB 0.000 37.971 38.000 -0.049 0.000 1.214 17 V N 5.872 125.789 119.914 0.006 0.000 2.427 17 V HA 0.278 4.403 4.120 0.009 0.000 0.286 17 V C 0.690 176.791 176.094 0.010 0.000 1.034 17 V CA -1.613 60.693 62.300 0.010 0.000 0.893 17 V CB 0.681 32.513 31.823 0.015 0.000 0.982 17 V HN 0.653 8.849 8.190 0.009 0.000 0.452 18 G N 6.186 114.991 108.800 0.009 0.000 2.147 18 G HA2 -0.362 3.603 3.960 0.009 0.000 0.244 18 G HA3 -0.362 3.773 3.960 0.012 -0.168 0.244 18 G C -0.623 174.281 174.900 0.006 0.000 1.005 18 G CA 0.288 45.394 45.100 0.009 0.000 0.713 18 G HN 0.567 8.861 8.290 0.008 0.000 0.515 19 G N -2.472 106.329 108.800 0.000 0.000 2.568 19 G HA2 0.358 4.359 3.960 0.000 0.000 0.293 19 G HA3 0.358 4.353 3.960 -0.013 -0.043 0.293 19 G C -1.765 173.132 174.900 -0.005 0.000 1.347 19 G CA -0.774 44.323 45.100 -0.005 0.000 1.039 19 G HN -0.476 7.782 8.290 -0.001 0.031 0.523 20 T N -2.253 112.297 114.554 -0.007 0.000 2.896 20 T HA 0.267 4.615 4.350 -0.005 0.000 0.297 20 T C -1.024 173.669 174.700 -0.011 0.000 1.108 20 T CA -1.229 60.868 62.100 -0.005 0.000 1.004 20 T CB 1.578 70.447 68.868 0.001 0.000 1.159 20 T HN -0.006 8.230 8.240 -0.008 0.000 0.499 21 S N 3.531 119.225 115.700 -0.009 0.000 2.537 21 S HA 0.003 4.581 4.470 -0.028 -0.125 0.286 21 S C 0.135 174.732 174.600 -0.005 0.000 1.299 21 S CA 0.952 59.144 58.200 -0.014 0.000 1.067 21 S CB -0.043 63.155 63.200 -0.004 0.000 0.864 21 S HN 0.100 8.407 8.310 -0.005 0.000 0.494 22 A N 6.858 129.673 122.820 -0.007 0.000 2.407 22 A HA -0.038 4.399 4.320 0.047 -0.089 0.248 22 A C -0.443 177.145 177.584 0.007 0.000 1.082 22 A CA -0.051 52.005 52.037 0.032 0.000 0.785 22 A CB 1.232 20.287 19.000 0.092 0.000 1.020 22 A HN 0.031 8.158 8.150 -0.037 0.000 0.489 23 S N 1.832 117.524 115.700 -0.014 0.000 2.646 23 S HA 0.180 4.643 4.470 -0.011 0.000 0.276 23 S C -0.207 174.378 174.600 -0.026 0.000 1.222 23 S CA -0.583 57.603 58.200 -0.024 0.000 1.014 23 S CB 1.663 64.837 63.200 -0.043 0.000 0.991 23 S HN 0.026 8.660 8.310 -0.026 -0.341 0.533 24 A N 0.902 123.713 122.820 -0.015 0.000 2.567 24 A HA -0.138 4.184 4.320 0.004 0.000 0.240 24 A C 1.097 178.655 177.584 -0.042 0.000 1.053 24 A CA 1.445 53.475 52.037 -0.012 0.000 0.755 24 A CB -0.368 18.630 19.000 -0.003 0.000 0.978 24 A HN 0.331 8.475 8.150 -0.010 0.000 0.507 25 G N 3.674 112.446 108.800 -0.046 0.000 2.179 25 G HA2 -0.430 3.492 3.960 -0.064 0.000 0.260 25 G HA3 -0.430 3.490 3.960 -0.068 0.000 0.260 25 G C 0.073 174.878 174.900 -0.158 0.000 0.977 25 G CA 0.619 45.673 45.100 -0.077 0.000 0.641 25 G HN 0.099 8.374 8.290 -0.025 0.000 0.533 26 D N 0.459 120.724 120.400 -0.225 0.000 2.144 26 D HA -0.149 4.222 4.640 -0.448 0.000 0.199 26 D C 0.272 176.054 176.300 -0.863 0.000 0.984 26 D CA 2.259 55.950 54.000 -0.515 0.000 0.834 26 D CB 0.506 40.959 40.800 -0.578 0.000 0.955 26 D HN -0.311 7.899 8.370 -0.155 0.068 0.465 27 F N -4.074 115.729 119.950 -0.246 0.000 2.660 27 F HA 0.502 4.675 4.527 -0.591 0.000 0.352 27 F C -1.796 173.673 175.800 -0.552 0.000 1.257 27 F CA -3.507 54.165 58.000 -0.547 0.000 1.200 27 F CB -0.201 38.431 39.000 -0.613 0.000 1.473 27 F HN -0.493 7.695 8.300 -0.188 0.000 0.561 28 P HA -0.061 4.477 4.420 -0.049 -0.147 0.222 28 P C 0.521 177.819 177.300 -0.004 0.000 1.147 28 P CA 1.721 64.782 63.100 -0.066 0.000 0.790 28 P CB 0.197 31.911 31.700 0.024 0.000 0.780 29 F N -7.509 112.534 119.950 0.155 0.000 2.765 29 F HA 0.418 5.192 4.527 0.166 -0.147 0.302 29 F C -0.480 175.433 175.800 0.187 0.000 1.111 29 F CA -2.594 55.509 58.000 0.172 0.000 1.359 29 F CB -0.472 38.635 39.000 0.178 0.000 1.097 29 F HN -0.433 7.455 8.300 -0.595 0.055 0.577 30 I N 2.077 122.567 120.570 -0.133 0.000 2.634 30 I HA 0.224 4.653 4.170 0.186 -0.147 0.284 30 I C -0.871 175.380 176.117 0.224 0.000 1.124 30 I CA -0.026 61.316 61.300 0.070 0.000 1.417 30 I CB 1.695 39.648 38.000 -0.077 0.000 1.396 30 I HN -0.599 7.364 8.210 -0.327 0.052 0.571 31 V N 4.308 124.384 119.914 0.270 0.000 2.823 31 V HA 0.841 5.213 4.120 0.196 -0.135 0.312 31 V C -1.642 174.577 176.094 0.208 0.000 1.072 31 V CA -3.254 59.172 62.300 0.211 0.000 0.937 31 V CB 3.098 35.007 31.823 0.143 0.000 1.013 31 V HN 0.135 8.488 8.190 0.271 0.000 0.430 32 S N 1.838 117.482 115.700 -0.094 0.000 2.578 32 S HA 0.478 4.857 4.470 -0.152 0.000 0.283 32 S C -0.585 173.951 174.600 -0.106 0.000 1.195 32 S CA -1.459 56.539 58.200 -0.336 0.000 1.050 32 S CB 1.580 64.125 63.200 -1.091 0.000 1.012 32 S HN -0.011 8.223 8.310 -0.127 0.000 0.511 33 I N 2.802 123.372 120.570 -0.000 0.000 2.411 33 I HA 0.520 4.926 4.170 0.091 -0.181 0.284 33 I C -1.042 175.179 176.117 0.172 0.000 1.012 33 I CA -1.194 60.178 61.300 0.120 0.000 1.119 33 I CB 1.961 40.084 38.000 0.204 0.000 1.261 33 I HN 0.483 8.699 8.210 0.011 0.000 0.448 34 S N 7.553 123.316 115.700 0.105 0.000 2.617 34 S HA 0.653 5.310 4.470 0.110 -0.122 0.283 34 S C -1.329 173.274 174.600 0.006 0.000 1.189 34 S CA -0.780 57.458 58.200 0.063 0.000 1.036 34 S CB 2.257 65.440 63.200 -0.029 0.000 1.014 34 S HN 0.241 8.592 8.310 0.069 0.000 0.522 35 R N 1.323 121.724 120.500 -0.166 0.000 2.538 35 R HA 0.483 4.625 4.340 -0.673 -0.206 0.292 35 R C -0.181 175.839 176.300 -0.466 0.000 1.008 35 R CA -0.766 54.979 56.100 -0.591 0.000 0.896 35 R CB 3.263 32.814 30.300 -1.248 0.000 1.187 35 R HN 0.396 8.619 8.270 -0.078 0.000 0.440 36 N N 6.344 124.778 118.700 -0.443 0.000 2.721 36 N HA -0.370 4.207 4.740 -0.272 0.000 0.249 36 N C -0.135 175.259 175.510 -0.193 0.000 1.072 36 N CA 1.499 54.366 53.050 -0.304 0.000 0.710 36 N CB -1.700 36.592 38.487 -0.326 0.000 0.993 36 N HN 1.031 9.112 8.380 -0.498 0.000 0.547 37 G N -5.082 103.622 108.800 -0.159 0.000 2.162 37 G HA2 -0.340 3.565 3.960 -0.092 0.000 0.260 37 G HA3 -0.340 3.565 3.960 -0.091 0.000 0.260 37 G C -0.923 173.933 174.900 -0.074 0.000 0.976 37 G CA 0.574 45.613 45.100 -0.101 0.000 0.655 37 G HN 0.402 8.550 8.290 -0.181 0.033 0.533 38 G N -0.616 108.142 108.800 -0.070 0.000 2.600 38 G HA2 0.517 4.467 3.960 -0.015 0.000 0.303 38 G HA3 0.517 4.474 3.960 -0.004 0.000 0.303 38 G C -3.189 171.735 174.900 0.040 0.000 1.253 38 G CA -2.401 42.691 45.100 -0.014 0.000 0.974 38 G HN -0.519 7.540 8.290 -0.105 0.167 0.483 39 P HA -0.206 4.257 4.420 0.071 0.000 0.271 39 P C -1.827 175.642 177.300 0.281 0.000 1.218 39 P CA 0.069 63.237 63.100 0.114 0.000 0.780 39 P CB 1.181 32.930 31.700 0.082 0.000 0.901 40 W N 2.296 123.601 121.300 0.009 0.000 5.371 40 W HA -0.023 4.655 4.660 0.030 0.000 0.169 40 W C -0.624 175.939 176.519 0.074 0.000 1.184 40 W CA 0.557 57.926 57.345 0.040 0.000 1.946 40 W CB 1.026 30.517 29.460 0.051 0.000 0.602 40 W HN 0.494 8.823 8.180 0.249 0.000 1.086 41 C N -2.815 116.589 119.300 0.172 0.000 3.260 41 C HA 0.813 5.335 4.460 0.103 0.000 0.366 41 C C -1.684 173.392 174.990 0.145 0.000 1.537 41 C CA -0.996 58.054 59.018 0.054 0.000 1.160 41 C CB 1.682 29.380 27.740 -0.070 0.000 1.760 41 C HN -0.317 nan 8.230 nan 0.000 0.432 42 G N -1.242 107.641 108.800 0.137 0.000 2.667 42 G HA2 0.817 5.048 3.960 0.258 0.000 0.310 42 G HA3 0.817 4.923 3.960 0.244 0.000 0.310 42 G C -2.443 172.544 174.900 0.145 0.000 1.259 42 G CA -1.226 44.000 45.100 0.209 0.000 1.019 42 G HN 0.216 8.557 8.290 0.085 0.000 0.496 43 G N -3.504 105.402 108.800 0.178 0.000 2.548 43 G HA2 0.501 4.795 3.960 0.129 0.000 0.301 43 G HA3 0.501 4.546 3.960 0.127 -0.009 0.301 43 G C -2.688 172.343 174.900 0.218 0.000 1.349 43 G CA 0.101 45.292 45.100 0.153 0.000 0.792 43 G HN -0.300 8.127 8.290 0.228 0.000 0.481 44 S N -1.021 114.811 115.700 0.220 0.000 2.532 44 S HA 0.659 5.564 4.470 0.470 -0.153 0.299 44 S C -1.521 173.224 174.600 0.243 0.000 1.105 44 S CA -0.074 58.325 58.200 0.331 0.000 1.018 44 S CB 3.103 66.470 63.200 0.279 0.000 1.021 44 S HN 0.161 8.570 8.310 0.165 0.000 0.483 45 L N 5.579 126.994 121.223 0.319 0.000 2.369 45 L HA 0.212 4.789 4.340 0.170 -0.135 0.279 45 L C -0.498 176.491 176.870 0.199 0.000 1.108 45 L CA -0.253 54.739 54.840 0.252 0.000 0.852 45 L CB 0.699 42.965 42.059 0.344 0.000 1.169 45 L HN 0.605 9.093 8.230 0.430 0.000 0.452 46 L N 5.730 126.978 121.223 0.042 0.000 2.298 46 L HA -0.027 4.308 4.340 -0.010 0.000 0.209 46 L C 0.039 176.763 176.870 -0.243 0.000 1.084 46 L CA 1.002 55.812 54.840 -0.050 0.000 0.816 46 L CB 0.511 42.530 42.059 -0.067 0.000 0.967 46 L HN 0.560 8.802 8.230 0.021 0.000 0.460 47 N N -5.464 112.950 118.700 -0.477 0.000 3.339 47 N HA 0.050 3.622 4.740 -1.947 0.000 0.275 47 N C -0.783 174.275 175.510 -0.754 0.000 1.514 47 N CA -0.462 51.989 53.050 -0.997 0.000 0.879 47 N CB 0.883 39.069 38.487 -0.501 0.000 1.557 47 N HN -0.917 7.283 8.380 -0.299 0.000 0.524 48 A N -3.253 119.222 122.820 -0.575 0.000 2.024 48 A HA -0.096 4.432 4.320 0.057 -0.173 0.220 48 A C 0.220 177.778 177.584 -0.042 0.000 1.164 48 A CA 2.505 54.475 52.037 -0.111 0.000 0.643 48 A CB 0.069 19.081 19.000 0.018 0.000 0.806 48 A HN 0.444 8.247 8.150 -0.578 0.000 0.451 49 N N -7.897 110.753 118.700 -0.082 0.000 2.299 49 N HA 0.181 4.917 4.740 -0.008 0.000 0.246 49 N C -1.874 173.612 175.510 -0.039 0.000 1.254 49 N CA -1.634 51.396 53.050 -0.034 0.000 0.879 49 N CB 1.381 39.855 38.487 -0.022 0.000 1.214 49 N HN -0.435 8.067 8.380 -0.132 -0.200 0.510 50 T N 2.641 117.160 114.554 -0.059 0.000 2.921 50 T HA 0.682 5.224 4.350 -0.036 -0.214 0.297 50 T C -2.086 172.603 174.700 -0.018 0.000 1.013 50 T CA 0.037 62.109 62.100 -0.048 0.000 0.990 50 T CB 3.168 71.991 68.868 -0.076 0.000 1.023 50 T HN -0.699 7.525 8.240 -0.082 -0.034 0.447 51 V N 6.364 126.278 119.914 0.000 0.000 2.604 51 V HA 0.552 4.883 4.120 0.054 -0.178 0.305 51 V C -2.416 173.691 176.094 0.022 0.000 1.043 51 V CA -1.812 60.507 62.300 0.032 0.000 0.888 51 V CB 3.606 35.454 31.823 0.042 0.000 0.995 51 V HN 0.737 8.920 8.190 -0.011 0.000 0.429 52 L N 7.642 128.892 121.223 0.045 0.000 2.289 52 L HA 0.827 5.357 4.340 0.044 -0.164 0.285 52 L C -1.707 175.198 176.870 0.058 0.000 1.049 52 L CA -1.220 53.652 54.840 0.052 0.000 0.804 52 L CB 2.293 44.389 42.059 0.061 0.000 1.195 52 L HN 0.562 8.830 8.230 0.063 0.000 0.428 53 T N 5.952 120.527 114.554 0.035 0.000 2.681 53 T HA 0.433 4.971 4.350 0.031 -0.169 0.296 53 T C -2.108 172.575 174.700 -0.029 0.000 1.157 53 T CA -2.595 59.510 62.100 0.007 0.000 1.025 53 T CB 2.517 71.375 68.868 -0.018 0.000 1.441 53 T HN 0.183 8.444 8.240 0.035 0.000 0.504 54 A N -0.097 122.664 122.820 -0.099 0.000 2.354 54 A HA 0.286 4.744 4.320 -0.097 -0.196 0.269 54 A C 0.910 178.347 177.584 -0.245 0.000 1.109 54 A CA -0.697 51.239 52.037 -0.167 0.000 0.800 54 A CB 0.823 19.648 19.000 -0.291 0.000 1.045 54 A HN 0.405 8.490 8.150 -0.107 0.000 0.489 55 A N 4.966 127.599 122.820 -0.312 0.000 1.940 55 A HA -0.292 3.808 4.320 -0.366 0.000 0.219 55 A C 1.492 178.862 177.584 -0.357 0.000 1.176 55 A CA 3.181 54.909 52.037 -0.515 0.000 0.631 55 A CB -0.681 17.573 19.000 -1.243 0.000 0.814 55 A HN 0.635 8.609 8.150 -0.280 0.008 0.446 56 H N -4.979 113.977 119.070 -0.189 0.000 2.521 56 H HA -0.148 4.477 4.556 0.115 0.000 0.286 56 H C 1.090 176.544 175.328 0.209 0.000 1.034 56 H CA 2.323 58.414 56.048 0.072 0.000 1.278 56 H CB -1.361 28.484 29.762 0.138 0.000 1.386 56 H HN -0.120 8.350 8.280 -0.140 -0.274 0.567 57 C N -2.364 116.828 119.300 -0.181 0.000 2.432 57 C HA -0.129 4.476 4.460 0.242 0.000 0.280 57 C C 1.329 176.667 174.990 0.582 0.000 1.353 57 C CA 2.802 61.922 59.018 0.170 0.000 1.766 57 C CB -1.126 26.600 27.740 -0.024 0.000 1.924 57 C HN -0.320 7.524 8.230 -0.396 0.148 0.509 58 V N -6.218 113.846 119.914 0.249 0.000 3.497 58 V HA 0.095 4.418 4.120 0.338 0.000 0.272 58 V C -0.448 175.699 176.094 0.088 0.000 1.474 58 V CA 0.098 62.482 62.300 0.139 0.000 1.025 58 V CB 0.768 32.445 31.823 -0.243 0.000 0.820 58 V HN -0.498 7.597 8.190 0.097 0.152 0.437 59 S N 2.556 118.235 115.700 -0.034 0.000 2.515 59 S HA -0.106 4.330 4.470 -0.057 0.000 0.285 59 S C 1.304 175.762 174.600 -0.237 0.000 1.265 59 S CA 2.068 60.217 58.200 -0.086 0.000 1.079 59 S CB -0.655 62.564 63.200 0.031 0.000 0.877 59 S HN -0.159 8.148 8.310 -0.005 0.000 0.493 60 G N 7.003 115.729 108.800 -0.123 0.000 2.184 60 G HA2 -0.351 3.583 3.960 -0.044 0.000 0.264 60 G HA3 -0.351 3.513 3.960 -0.160 0.000 0.264 60 G C -0.862 173.999 174.900 -0.064 0.000 0.975 60 G CA 0.162 45.192 45.100 -0.116 0.000 0.642 60 G HN 0.501 8.758 8.290 -0.055 0.000 0.536 61 Y N 0.338 120.726 120.300 0.147 0.000 2.300 61 Y HA -0.074 4.528 4.550 0.087 0.000 0.328 61 Y C -0.352 175.635 175.900 0.145 0.000 1.270 61 Y CA -1.249 56.939 58.100 0.148 0.000 1.352 61 Y CB 0.574 39.180 38.460 0.243 0.000 1.286 61 Y HN -0.772 7.415 8.280 -0.023 0.079 0.536 62 A N 1.524 124.485 122.820 0.234 0.000 2.522 62 A HA 0.013 4.406 4.320 0.122 0.000 0.256 62 A C 1.160 178.861 177.584 0.195 0.000 1.086 62 A CA 0.354 52.468 52.037 0.129 0.000 0.763 62 A CB 0.194 19.206 19.000 0.021 0.000 1.024 62 A HN 0.057 8.327 8.150 0.199 0.000 0.502 63 Q N 3.408 123.334 119.800 0.211 0.000 2.224 63 Q HA -0.298 4.346 4.340 0.508 0.000 0.203 63 Q C 1.851 177.991 176.000 0.234 0.000 0.970 63 Q CA 2.695 58.675 55.803 0.296 0.000 0.865 63 Q CB -0.152 28.675 28.738 0.148 0.000 0.922 63 Q HN 0.737 9.098 8.270 0.151 0.000 0.445 64 S N -1.693 114.058 115.700 0.085 0.000 2.474 64 S HA -0.109 4.386 4.470 0.042 0.000 0.235 64 S C 1.460 176.027 174.600 -0.054 0.000 0.997 64 S CA 1.504 59.716 58.200 0.021 0.000 0.949 64 S CB -0.956 62.239 63.200 -0.008 0.000 0.766 64 S HN 0.191 8.508 8.310 0.068 0.033 0.517 65 G N 0.244 108.937 108.800 -0.177 0.000 2.650 65 G HA2 -0.044 3.736 3.960 -0.300 0.000 0.214 65 G HA3 -0.044 3.566 3.960 -0.582 0.000 0.214 65 G C -1.576 173.024 174.900 -0.500 0.000 1.136 65 G CA 0.215 45.069 45.100 -0.410 0.000 0.789 65 G HN -0.528 7.622 8.290 -0.148 0.052 0.536 66 F N -0.379 119.505 119.950 -0.109 0.000 2.397 66 F HA 0.729 5.404 4.527 -0.124 -0.222 0.331 66 F C -1.386 174.380 175.800 -0.057 0.000 1.090 66 F CA -0.965 56.980 58.000 -0.092 0.000 1.065 66 F CB 2.587 41.556 39.000 -0.052 0.000 1.184 66 F HN -0.807 7.456 8.300 0.042 0.063 0.499 67 Q N 1.111 120.993 119.800 0.136 0.000 2.331 67 Q HA 0.579 5.099 4.340 0.071 -0.138 0.272 67 Q C -1.900 174.140 176.000 0.066 0.000 1.062 67 Q CA -1.277 54.566 55.803 0.068 0.000 0.806 67 Q CB 4.789 33.531 28.738 0.008 0.000 1.312 67 Q HN 0.171 8.527 8.270 0.143 0.000 0.431 68 I N 4.645 125.244 120.570 0.048 0.000 2.437 68 I HA 0.753 5.137 4.170 0.030 -0.196 0.298 68 I C -1.410 174.711 176.117 0.006 0.000 0.984 68 I CA -1.945 59.374 61.300 0.032 0.000 1.214 68 I CB 2.365 40.393 38.000 0.046 0.000 1.365 68 I HN 0.602 8.841 8.210 0.048 0.000 0.469 69 R N 5.308 125.795 120.500 -0.022 0.000 2.513 69 R HA 0.694 5.215 4.340 -0.006 -0.184 0.301 69 R C -2.291 174.014 176.300 0.009 0.000 0.968 69 R CA -1.837 54.246 56.100 -0.029 0.000 0.872 69 R CB 3.863 34.108 30.300 -0.091 0.000 1.177 69 R HN 0.227 8.475 8.270 -0.036 0.000 0.444 70 A N 4.025 126.872 122.820 0.046 0.000 2.354 70 A HA 0.701 5.086 4.320 0.108 0.000 0.321 70 A C -1.134 176.496 177.584 0.077 0.000 1.125 70 A CA -2.231 49.858 52.037 0.086 0.000 0.799 70 A CB 3.359 22.422 19.000 0.105 0.000 1.293 70 A HN 0.454 8.627 8.150 0.038 0.000 0.452 71 G N -0.676 108.179 108.800 0.092 0.000 2.137 71 G HA2 -0.444 3.555 3.960 0.064 0.000 0.237 71 G HA3 -0.444 3.550 3.960 0.057 0.000 0.237 71 G C -1.607 173.339 174.900 0.076 0.000 1.002 71 G CA 0.430 45.572 45.100 0.070 0.000 0.702 71 G HN 0.605 8.960 8.290 0.109 0.000 0.515 72 S N -1.663 114.105 115.700 0.114 0.000 2.546 72 S HA 0.287 4.818 4.470 0.102 0.000 0.274 72 S C -0.116 174.622 174.600 0.230 0.000 1.121 72 S CA -0.826 57.451 58.200 0.129 0.000 0.887 72 S CB 1.463 64.716 63.200 0.088 0.000 1.094 72 S HN -0.362 7.997 8.310 0.138 0.034 0.474 73 L N 3.217 124.561 121.223 0.202 0.000 2.313 73 L HA -0.031 4.483 4.340 0.290 0.000 0.214 73 L C -0.122 177.011 176.870 0.439 0.000 1.119 73 L CA 0.397 55.398 54.840 0.268 0.000 0.809 73 L CB 0.341 42.487 42.059 0.145 0.000 0.933 73 L HN 0.342 8.659 8.230 0.145 0.000 0.449 74 S N -2.645 113.230 115.700 0.292 0.000 2.554 74 S HA 0.356 5.334 4.470 0.341 -0.304 0.278 74 S C 0.513 175.122 174.600 0.015 0.000 1.242 74 S CA -1.131 57.206 58.200 0.229 0.000 1.051 74 S CB 1.100 64.361 63.200 0.102 0.000 0.986 74 S HN -0.673 7.721 8.310 0.206 0.039 0.502 75 R N 2.607 122.962 120.500 -0.242 0.000 2.275 75 R HA 0.124 3.997 4.340 -0.779 0.000 0.199 75 R C 1.730 177.859 176.300 -0.286 0.000 0.989 75 R CA 1.451 57.178 56.100 -0.621 0.000 1.016 75 R CB 0.571 30.289 30.300 -0.970 0.000 0.918 75 R HN 0.146 8.359 8.270 -0.095 0.000 0.473 76 T N -5.434 109.037 114.554 -0.138 0.000 2.985 76 T HA 0.169 4.460 4.350 -0.099 0.000 0.254 76 T C -1.065 173.605 174.700 -0.049 0.000 1.021 76 T CA -0.014 62.037 62.100 -0.083 0.000 0.957 76 T CB 1.368 70.209 68.868 -0.045 0.000 1.047 76 T HN -0.234 7.893 8.240 -0.097 0.055 0.511 77 S N 0.986 116.667 115.700 -0.033 0.000 2.556 77 S HA 0.136 4.598 4.470 -0.015 0.000 0.271 77 S C -2.029 172.572 174.600 0.002 0.000 1.135 77 S CA -0.009 58.185 58.200 -0.010 0.000 0.858 77 S CB 3.292 66.495 63.200 0.004 0.000 1.114 77 S HN -0.820 7.468 8.310 -0.036 0.000 0.468 78 G N 0.121 108.925 108.800 0.006 0.000 2.756 78 G HA2 -0.237 3.732 3.960 0.016 0.000 0.678 78 G HA3 -0.237 3.738 3.960 0.025 0.000 0.678 78 G C -0.822 174.087 174.900 0.016 0.000 1.349 78 G CA -0.221 44.889 45.100 0.017 0.000 0.847 78 G HN 0.104 8.396 8.290 0.003 0.000 0.548 79 G N -0.029 108.786 108.800 0.024 0.000 2.569 79 G HA2 -0.377 3.602 3.960 0.032 0.000 0.259 79 G HA3 -0.377 3.785 3.960 0.033 -0.182 0.259 79 G C -0.762 174.151 174.900 0.022 0.000 1.263 79 G CA 0.085 45.202 45.100 0.028 0.000 0.928 79 G HN 0.017 8.322 8.290 0.025 0.000 0.572 80 I N 3.334 123.921 120.570 0.027 0.000 2.498 80 I HA 0.280 4.463 4.170 0.022 0.000 0.290 80 I C -1.003 175.128 176.117 0.024 0.000 1.032 80 I CA -0.949 60.368 61.300 0.028 0.000 1.073 80 I CB 2.501 40.525 38.000 0.039 0.000 1.251 80 I HN 0.125 8.355 8.210 0.033 0.000 0.426 81 T N 2.074 116.639 114.554 0.017 0.000 2.940 81 T HA 0.733 5.294 4.350 0.014 -0.203 0.288 81 T C -0.973 173.739 174.700 0.021 0.000 1.033 81 T CA -2.566 59.542 62.100 0.014 0.000 1.033 81 T CB 1.791 70.659 68.868 0.001 0.000 1.079 81 T HN -0.015 8.235 8.240 0.016 0.000 0.496 82 S N 1.841 117.556 115.700 0.024 0.000 2.537 82 S HA 0.321 4.805 4.470 0.024 0.000 0.270 82 S C -1.602 173.017 174.600 0.032 0.000 1.142 82 S CA -0.034 58.182 58.200 0.028 0.000 0.870 82 S CB 1.971 65.191 63.200 0.033 0.000 1.112 82 S HN 0.119 8.443 8.310 0.023 0.000 0.466 83 S N 3.673 119.391 115.700 0.030 0.000 2.661 83 S HA 0.435 4.936 4.470 0.053 0.000 0.265 83 S C -0.469 174.156 174.600 0.041 0.000 1.225 83 S CA -0.159 58.065 58.200 0.040 0.000 0.986 83 S CB 1.512 64.729 63.200 0.030 0.000 1.008 83 S HN 0.401 8.725 8.310 0.025 0.000 0.565 84 L N -0.803 120.451 121.223 0.052 0.000 2.325 84 L HA 0.337 4.808 4.340 0.021 -0.119 0.279 84 L C 0.583 177.468 176.870 0.026 0.000 1.054 84 L CA -0.651 54.209 54.840 0.034 0.000 0.804 84 L CB 1.165 43.245 42.059 0.035 0.000 1.200 84 L HN 0.466 8.738 8.230 0.069 0.000 0.436 85 S N 2.130 117.837 115.700 0.012 0.000 2.468 85 S HA 0.131 4.609 4.470 0.013 0.000 0.226 85 S C -0.037 174.564 174.600 0.002 0.000 1.051 85 S CA 0.273 58.478 58.200 0.008 0.000 0.943 85 S CB 1.432 64.635 63.200 0.005 0.000 0.810 85 S HN 0.420 8.629 8.310 0.006 0.105 0.509 86 S N 0.044 115.739 115.700 -0.009 0.000 2.587 86 S HA 0.275 4.895 4.470 -0.012 -0.157 0.269 86 S C -2.799 171.777 174.600 -0.041 0.000 1.154 86 S CA 0.317 58.505 58.200 -0.020 0.000 0.824 86 S CB 2.336 65.522 63.200 -0.023 0.000 1.118 86 S HN -0.590 7.713 8.310 -0.013 0.000 0.462 87 V N 0.198 120.082 119.914 -0.051 0.000 2.638 87 V HA 0.671 4.887 4.120 -0.077 -0.142 0.306 87 V C -0.600 175.447 176.094 -0.078 0.000 1.052 87 V CA -0.696 61.563 62.300 -0.070 0.000 0.885 87 V CB 2.566 34.346 31.823 -0.072 0.000 0.999 87 V HN 0.303 8.468 8.190 -0.042 0.000 0.424 88 R N 8.854 129.302 120.500 -0.086 0.000 2.483 88 R HA 0.512 4.784 4.340 -0.113 0.000 0.303 88 R C -2.343 173.982 176.300 0.042 0.000 0.987 88 R CA -1.169 54.868 56.100 -0.105 0.000 0.881 88 R CB 2.359 32.471 30.300 -0.313 0.000 1.177 88 R HN 0.514 8.740 8.270 -0.073 0.000 0.451 89 V N 5.020 124.937 119.914 0.005 0.000 2.716 89 V HA 0.109 4.219 4.120 -0.017 0.000 0.304 89 V C -0.216 175.786 176.094 -0.153 0.000 1.053 89 V CA -1.536 60.743 62.300 -0.035 0.000 0.984 89 V CB 1.893 33.672 31.823 -0.074 0.000 1.021 89 V HN 0.230 8.401 8.190 -0.032 0.000 0.467 90 H N 7.051 125.782 119.070 -0.565 0.000 3.094 90 H HA -0.069 3.336 4.556 -1.919 0.000 0.320 90 H C 0.551 175.664 175.328 -0.358 0.000 1.000 90 H CA 0.934 56.381 56.048 -1.001 0.000 1.413 90 H CB 1.243 30.532 29.762 -0.789 0.000 1.405 90 H HN -0.248 7.855 8.280 -0.295 0.000 0.586 91 P HA -0.063 4.288 4.420 -0.114 0.000 0.225 91 P C -0.658 176.620 177.300 -0.035 0.000 1.148 91 P CA 1.659 64.640 63.100 -0.199 0.000 0.779 91 P CB 0.203 31.791 31.700 -0.186 0.000 0.780 92 S N -2.743 113.021 115.700 0.107 0.000 2.602 92 S HA 0.106 4.623 4.470 0.078 0.000 0.240 92 S C -0.868 173.835 174.600 0.171 0.000 0.992 92 S CA -0.389 57.911 58.200 0.165 0.000 0.971 92 S CB -0.071 63.250 63.200 0.202 0.000 0.855 92 S HN -0.643 7.714 8.310 0.180 0.061 0.481 93 Y N 4.021 124.349 120.300 0.047 0.000 2.632 93 Y HA -0.247 4.482 4.550 -0.040 -0.203 0.329 93 Y C -0.212 175.667 175.900 -0.036 0.000 1.174 93 Y CA -0.188 57.900 58.100 -0.020 0.000 1.469 93 Y CB 0.408 38.850 38.460 -0.030 0.000 1.242 93 Y HN -0.710 7.580 8.280 0.288 0.163 0.540 94 S N 8.691 124.109 115.700 -0.470 0.000 2.592 94 S HA 0.219 4.360 4.470 -0.549 0.000 0.275 94 S C -0.404 173.935 174.600 -0.435 0.000 1.169 94 S CA 0.184 58.110 58.200 -0.458 0.000 0.958 94 S CB 0.984 64.055 63.200 -0.215 0.000 1.095 94 S HN 0.107 8.229 8.310 -0.314 0.000 0.471 95 G N 8.109 116.635 108.800 -0.456 0.000 2.622 95 G HA2 -0.332 3.431 3.960 -0.328 0.000 0.307 95 G HA3 -0.332 3.441 3.960 -0.312 0.000 0.307 95 G C -0.667 174.027 174.900 -0.344 0.000 1.226 95 G CA 1.431 46.316 45.100 -0.358 0.000 0.997 95 G HN 0.296 8.302 8.290 -0.475 0.000 0.551 96 N N 4.553 123.036 118.700 -0.362 0.000 2.336 96 N HA -0.062 4.526 4.740 -0.253 0.000 0.189 96 N C -1.250 174.199 175.510 -0.101 0.000 1.113 96 N CA -0.255 52.573 53.050 -0.370 0.000 0.858 96 N CB 0.382 38.242 38.487 -1.045 0.000 0.970 96 N HN 0.134 8.275 8.380 -0.399 0.000 0.471 97 N N -0.111 118.540 118.700 -0.080 0.000 2.518 97 N HA 0.035 4.793 4.740 0.030 0.000 0.283 97 N C -1.018 174.538 175.510 0.078 0.000 1.119 97 N CA 0.182 53.231 53.050 -0.001 0.000 0.983 97 N CB 1.367 39.826 38.487 -0.047 0.000 1.139 97 N HN -0.577 7.636 8.380 -0.155 0.073 0.465 98 N N -0.782 117.930 118.700 0.020 0.000 2.756 98 N HA -0.376 4.245 4.740 -0.198 0.000 0.248 98 N C -1.511 174.001 175.510 0.004 0.000 1.062 98 N CA 1.394 54.377 53.050 -0.112 0.000 0.696 98 N CB -1.008 37.322 38.487 -0.262 0.000 0.946 98 N HN 0.769 9.157 8.380 0.013 0.000 0.548 99 D N -0.325 120.112 120.400 0.061 0.000 2.713 99 D HA 0.051 4.648 4.640 -0.071 0.000 0.229 99 D C -1.804 174.455 176.300 -0.069 0.000 1.136 99 D CA -0.486 53.530 54.000 0.027 0.000 1.010 99 D CB -0.799 40.111 40.800 0.184 0.000 1.084 99 D HN 0.124 8.532 8.370 0.063 0.000 0.495 100 L N 0.458 121.607 121.223 -0.124 0.000 2.409 100 L HA 0.728 5.231 4.340 -0.011 -0.170 0.262 100 L C -2.497 174.378 176.870 0.008 0.000 0.992 100 L CA -1.209 53.623 54.840 -0.013 0.000 0.817 100 L CB 4.886 47.020 42.059 0.126 0.000 1.350 100 L HN -0.395 7.666 8.230 -0.172 0.066 0.411 101 A N 0.010 122.883 122.820 0.088 0.000 2.539 101 A HA 0.875 5.478 4.320 0.247 -0.134 0.296 101 A C -2.322 175.342 177.584 0.135 0.000 1.073 101 A CA -1.588 50.525 52.037 0.126 0.000 0.700 101 A CB 4.264 23.237 19.000 -0.046 0.000 1.296 101 A HN 0.712 8.903 8.150 0.068 0.000 0.405 102 I N 0.601 121.231 120.570 0.099 0.000 2.354 102 I HA 0.626 4.948 4.170 -0.010 -0.157 0.292 102 I C -1.337 174.751 176.117 -0.047 0.000 0.989 102 I CA -2.212 59.076 61.300 -0.020 0.000 1.188 102 I CB 1.475 39.391 38.000 -0.140 0.000 1.342 102 I HN 0.359 8.660 8.210 0.152 0.000 0.457 103 L N 7.051 128.247 121.223 -0.046 0.000 2.307 103 L HA 0.533 4.982 4.340 -0.065 -0.148 0.284 103 L C -0.574 176.272 176.870 -0.039 0.000 1.023 103 L CA -1.482 53.326 54.840 -0.054 0.000 0.810 103 L CB 1.657 43.679 42.059 -0.061 0.000 1.231 103 L HN 0.828 9.038 8.230 -0.034 0.000 0.423 104 K N 2.651 123.030 120.400 -0.035 0.000 2.159 104 K HA 0.693 5.203 4.320 -0.024 -0.203 0.266 104 K C -0.639 175.954 176.600 -0.011 0.000 0.975 104 K CA -2.476 53.798 56.287 -0.023 0.000 0.865 104 K CB 1.818 34.306 32.500 -0.020 0.000 1.087 104 K HN 0.241 8.467 8.250 -0.040 0.000 0.446 105 L N 2.904 124.125 121.223 -0.003 0.000 2.325 105 L HA 0.276 4.753 4.340 0.012 -0.130 0.279 105 L C 1.008 177.884 176.870 0.011 0.000 1.054 105 L CA -0.802 54.043 54.840 0.009 0.000 0.804 105 L CB 0.882 42.952 42.059 0.018 0.000 1.200 105 L HN 0.203 8.429 8.230 -0.007 0.000 0.436 106 S N 2.523 118.232 115.700 0.015 0.000 2.428 106 S HA -0.035 4.442 4.470 0.012 0.000 0.230 106 S C 0.492 175.102 174.600 0.016 0.000 1.014 106 S CA 2.357 60.566 58.200 0.015 0.000 0.957 106 S CB 0.403 63.613 63.200 0.016 0.000 0.784 106 S HN 0.528 8.849 8.310 0.019 0.000 0.499 107 T N 4.120 118.687 114.554 0.021 0.000 2.786 107 T HA 0.145 4.509 4.350 0.023 0.000 0.283 107 T C -1.426 173.294 174.700 0.032 0.000 0.992 107 T CA -0.031 62.084 62.100 0.025 0.000 0.954 107 T CB 1.597 70.481 68.868 0.027 0.000 0.934 107 T HN -0.482 7.733 8.240 0.023 0.039 0.440 108 S N 6.059 121.780 115.700 0.034 0.000 2.580 108 S HA 0.013 4.674 4.470 0.041 -0.166 0.274 108 S C -0.320 174.322 174.600 0.069 0.000 1.329 108 S CA 0.219 58.447 58.200 0.045 0.000 1.036 108 S CB 0.773 63.997 63.200 0.039 0.000 0.919 108 S HN 0.243 8.571 8.310 0.030 0.000 0.515 109 I N 4.034 124.667 120.570 0.105 0.000 2.382 109 I HA 0.423 4.654 4.170 0.103 0.000 0.285 109 I C -1.848 174.391 176.117 0.203 0.000 1.007 109 I CA -3.110 58.273 61.300 0.137 0.000 1.142 109 I CB 1.677 39.768 38.000 0.151 0.000 1.289 109 I HN 0.412 8.572 8.210 0.105 0.113 0.453 110 P HA 0.321 4.861 4.420 0.199 0.000 0.278 110 P C -0.673 176.648 177.300 0.035 0.000 1.238 110 P CA -0.865 62.312 63.100 0.128 0.000 0.794 110 P CB 0.547 32.289 31.700 0.070 0.000 0.955 111 S N 1.062 116.706 115.700 -0.094 0.000 2.592 111 S HA -0.100 4.266 4.470 -0.330 -0.094 0.271 111 S C -0.103 174.421 174.600 -0.128 0.000 1.326 111 S CA -0.051 57.969 58.200 -0.300 0.000 1.024 111 S CB 0.422 63.268 63.200 -0.590 0.000 0.921 111 S HN -0.084 8.223 8.310 -0.004 0.000 0.527 112 G N 1.362 110.092 108.800 -0.118 0.000 2.316 112 G HA2 -0.160 3.763 3.960 -0.061 0.000 0.468 112 G HA3 -0.160 3.773 3.960 -0.044 0.000 0.468 112 G C -1.104 173.771 174.900 -0.043 0.000 1.523 112 G CA -0.708 44.355 45.100 -0.061 0.000 0.972 112 G HN 0.171 8.371 8.290 -0.149 0.000 0.667 113 G N 1.838 110.620 108.800 -0.030 0.000 2.556 113 G HA2 -0.361 3.589 3.960 -0.016 0.000 0.283 113 G HA3 -0.361 3.591 3.960 -0.013 0.000 0.283 113 G C -0.809 174.078 174.900 -0.022 0.000 1.177 113 G CA 0.281 45.370 45.100 -0.019 0.000 0.978 113 G HN 0.184 8.457 8.290 -0.029 0.000 0.554 114 N N 3.116 121.808 118.700 -0.012 0.000 2.314 114 N HA 0.110 4.838 4.740 -0.019 0.000 0.200 114 N C -1.254 174.251 175.510 -0.009 0.000 1.135 114 N CA 0.098 53.142 53.050 -0.010 0.000 0.835 114 N CB 0.188 38.676 38.487 0.002 0.000 0.989 114 N HN 0.167 8.543 8.380 -0.006 0.000 0.478 115 I N -0.850 119.707 120.570 -0.022 0.000 2.377 115 I HA 0.348 4.723 4.170 0.006 -0.202 0.293 115 I C -1.084 174.969 176.117 -0.106 0.000 0.987 115 I CA -0.930 60.354 61.300 -0.027 0.000 1.185 115 I CB 2.135 40.129 38.000 -0.010 0.000 1.341 115 I HN -0.581 7.541 8.210 -0.029 0.071 0.455 116 G N 4.435 113.186 108.800 -0.082 0.000 2.687 116 G HA2 0.333 4.002 3.960 -0.485 0.000 0.291 116 G HA3 0.333 4.231 3.960 -0.103 0.000 0.291 116 G C -3.020 171.868 174.900 -0.019 0.000 1.420 116 G CA -0.623 44.350 45.100 -0.212 0.000 0.796 116 G HN -0.399 7.782 8.290 0.012 0.116 0.485 117 Y N -2.253 118.142 120.300 0.158 0.000 2.387 117 Y HA 0.440 5.236 4.550 0.171 -0.143 0.330 117 Y C 0.317 176.266 175.900 0.081 0.000 1.133 117 Y CA -2.827 55.351 58.100 0.131 0.000 1.152 117 Y CB 1.800 40.298 38.460 0.063 0.000 1.215 117 Y HN 0.007 8.216 8.280 -0.117 0.000 0.466 118 A N 2.575 125.449 122.820 0.089 0.000 2.425 118 A HA 0.054 4.050 4.320 -0.539 0.000 0.249 118 A C -0.976 176.510 177.584 -0.163 0.000 1.084 118 A CA -0.275 51.540 52.037 -0.369 0.000 0.781 118 A CB 1.018 19.579 19.000 -0.732 0.000 1.019 118 A HN 0.176 8.415 8.150 0.149 0.000 0.490 119 R N 2.180 122.574 120.500 -0.177 0.000 2.254 119 R HA 0.182 4.490 4.340 -0.054 0.000 0.318 119 R C -1.120 175.110 176.300 -0.117 0.000 1.031 119 R CA -0.822 55.224 56.100 -0.090 0.000 0.905 119 R CB 0.976 31.252 30.300 -0.039 0.000 1.050 119 R HN 0.414 8.549 8.270 -0.224 0.000 0.456 120 L N 4.666 125.843 121.223 -0.076 0.000 2.357 120 L HA 0.301 4.594 4.340 -0.077 0.000 0.273 120 L C 0.176 177.024 176.870 -0.036 0.000 1.080 120 L CA -1.088 53.716 54.840 -0.060 0.000 0.803 120 L CB 1.408 43.444 42.059 -0.038 0.000 1.174 120 L HN 0.390 8.586 8.230 -0.057 0.000 0.443 121 A N 1.099 123.902 122.820 -0.028 0.000 2.520 121 A HA -0.162 4.140 4.320 -0.031 0.000 0.235 121 A C -0.461 177.115 177.584 -0.014 0.000 1.065 121 A CA 0.108 52.131 52.037 -0.025 0.000 0.764 121 A CB 0.585 19.568 19.000 -0.029 0.000 1.002 121 A HN 0.054 8.188 8.150 -0.027 0.000 0.502 122 A N 2.777 125.587 122.820 -0.016 0.000 2.531 122 A HA -0.066 4.250 4.320 -0.007 0.000 0.236 122 A C 0.574 178.159 177.584 0.001 0.000 1.062 122 A CA 0.362 52.394 52.037 -0.009 0.000 0.760 122 A CB 0.413 19.406 19.000 -0.012 0.000 0.995 122 A HN 0.092 8.229 8.150 -0.023 0.000 0.501 123 S N 2.774 118.479 115.700 0.009 0.000 2.575 123 S HA -0.395 4.215 4.470 0.030 -0.122 0.295 123 S C 1.876 176.487 174.600 0.017 0.000 1.267 123 S CA 1.316 59.528 58.200 0.021 0.000 1.074 123 S CB -0.627 62.586 63.200 0.022 0.000 0.829 123 S HN 0.413 8.727 8.310 0.006 0.000 0.497 124 G N 5.973 114.788 108.800 0.024 0.000 2.176 124 G HA2 -0.387 3.589 3.960 0.027 0.000 0.253 124 G HA3 -0.387 3.583 3.960 0.017 0.000 0.253 124 G C -0.485 174.419 174.900 0.006 0.000 0.979 124 G CA -0.019 45.093 45.100 0.020 0.000 0.641 124 G HN 0.087 8.303 8.290 0.034 0.094 0.530 125 S N -0.155 115.542 115.700 -0.004 0.000 2.603 125 S HA 0.089 4.543 4.470 -0.026 0.000 0.268 125 S C -1.586 172.989 174.600 -0.042 0.000 1.317 125 S CA -0.179 58.004 58.200 -0.027 0.000 1.012 125 S CB 1.698 64.873 63.200 -0.040 0.000 0.926 125 S HN -0.326 7.914 8.310 -0.000 0.070 0.539 126 D N 0.124 120.482 120.400 -0.070 0.000 2.855 126 D HA 0.399 4.972 4.640 -0.112 0.000 0.241 126 D C -1.949 174.250 176.300 -0.168 0.000 1.277 126 D CA -2.870 51.071 54.000 -0.099 0.000 0.918 126 D CB 2.278 43.055 40.800 -0.039 0.000 1.462 126 D HN 0.115 8.444 8.370 -0.067 0.000 0.559 127 P HA 0.014 4.274 4.420 -0.267 0.000 0.268 127 P C -0.934 176.254 177.300 -0.186 0.000 1.205 127 P CA -0.459 62.440 63.100 -0.335 0.000 0.771 127 P CB 0.632 31.932 31.700 -0.668 0.000 0.858 128 V N 2.872 122.709 119.914 -0.128 0.000 2.461 128 V HA -0.010 4.075 4.120 -0.059 0.000 0.275 128 V C 0.158 176.222 176.094 -0.051 0.000 1.047 128 V CA -1.077 61.180 62.300 -0.070 0.000 0.955 128 V CB 0.235 32.025 31.823 -0.054 0.000 0.988 128 V HN 0.256 8.365 8.190 -0.135 0.000 0.471 129 A N 7.256 130.062 122.820 -0.025 0.000 2.565 129 A HA -0.326 4.107 4.320 0.001 -0.112 0.237 129 A C 0.728 178.306 177.584 -0.009 0.000 1.053 129 A CA 1.307 53.341 52.037 -0.006 0.000 0.755 129 A CB -0.205 18.799 19.000 0.007 0.000 0.980 129 A HN 0.355 8.493 8.150 -0.021 0.000 0.506 130 G N 3.666 112.463 108.800 -0.004 0.000 2.241 130 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.244 130 G HA3 -0.343 3.614 3.960 -0.006 0.000 0.244 130 G C -0.089 174.805 174.900 -0.012 0.000 0.998 130 G CA -0.295 44.802 45.100 -0.005 0.000 0.621 130 G HN 0.407 8.591 8.290 0.003 0.108 0.519 131 S N -0.255 115.432 115.700 -0.022 0.000 2.593 131 S HA 0.081 4.537 4.470 -0.023 0.000 0.269 131 S C -0.746 173.839 174.600 -0.024 0.000 1.334 131 S CA -0.504 57.679 58.200 -0.029 0.000 1.015 131 S CB 1.883 65.055 63.200 -0.047 0.000 0.912 131 S HN -0.425 7.777 8.310 -0.026 0.092 0.541 132 S N 1.532 117.220 115.700 -0.020 0.000 2.562 132 S HA 0.155 4.621 4.470 -0.007 0.000 0.275 132 S C -0.583 174.009 174.600 -0.014 0.000 1.281 132 S CA -0.220 57.973 58.200 -0.011 0.000 1.045 132 S CB 0.960 64.157 63.200 -0.005 0.000 0.962 132 S HN 0.247 8.545 8.310 -0.020 0.000 0.503 133 A N 4.939 127.754 122.820 -0.008 0.000 2.498 133 A HA 0.876 5.334 4.320 0.002 -0.136 0.298 133 A C -1.983 175.609 177.584 0.014 0.000 1.075 133 A CA -1.317 50.717 52.037 -0.006 0.000 0.714 133 A CB 3.941 22.921 19.000 -0.034 0.000 1.299 133 A HN 0.572 8.719 8.150 -0.005 0.000 0.407 134 T N 2.603 117.187 114.554 0.051 0.000 2.812 134 T HA 0.768 5.348 4.350 0.062 -0.193 0.282 134 T C -1.572 173.172 174.700 0.075 0.000 0.990 134 T CA -0.584 61.571 62.100 0.092 0.000 0.960 134 T CB 2.336 71.311 68.868 0.179 0.000 0.948 134 T HN 0.332 8.610 8.240 0.063 0.000 0.438 135 V N 7.061 126.982 119.914 0.013 0.000 2.667 135 V HA 0.869 5.141 4.120 -0.056 -0.186 0.308 135 V C -2.946 173.055 176.094 -0.156 0.000 1.048 135 V CA -3.598 58.674 62.300 -0.046 0.000 0.928 135 V CB 3.463 35.299 31.823 0.021 0.000 1.004 135 V HN 0.460 8.662 8.190 0.020 0.000 0.444 136 A N 5.534 128.164 122.820 -0.315 0.000 2.498 136 A HA 0.996 5.247 4.320 -0.364 -0.149 0.298 136 A C -2.255 175.089 177.584 -0.399 0.000 1.075 136 A CA -1.732 50.011 52.037 -0.489 0.000 0.714 136 A CB 3.597 21.940 19.000 -1.096 0.000 1.299 136 A HN -0.178 7.809 8.150 -0.271 0.000 0.407 137 G N -1.217 107.318 108.800 -0.443 0.000 2.349 137 G HA2 0.245 3.952 3.960 -0.423 0.000 0.294 137 G HA3 0.245 4.281 3.960 -0.136 -0.157 0.294 137 G C -1.941 172.736 174.900 -0.371 0.000 1.380 137 G CA 0.519 45.410 45.100 -0.347 0.000 0.811 137 G HN 0.001 8.011 8.290 -0.466 0.000 0.519 138 W N 0.020 121.304 121.300 -0.026 0.000 3.102 138 W HA 0.357 5.014 4.660 -0.006 0.000 0.401 138 W C -0.836 175.681 176.519 -0.004 0.000 1.070 138 W CA -0.930 56.410 57.345 -0.007 0.000 1.921 138 W CB 0.612 30.075 29.460 0.006 0.000 1.118 138 W HN 0.537 8.930 8.180 0.354 0.000 0.647 139 G N -1.525 107.363 108.800 0.147 0.000 2.588 139 G HA2 0.195 4.216 3.960 0.102 0.000 0.278 139 G HA3 0.195 4.318 3.960 0.058 -0.128 0.278 139 G C -1.065 173.872 174.900 0.061 0.000 1.307 139 G CA -0.927 44.226 45.100 0.089 0.000 1.016 139 G HN -0.486 8.091 8.290 0.099 -0.227 0.503 140 A N -0.964 121.880 122.820 0.041 0.000 2.507 140 A HA -0.006 4.338 4.320 0.040 0.000 0.235 140 A C 0.943 178.541 177.584 0.024 0.000 1.070 140 A CA 0.336 52.393 52.037 0.032 0.000 0.768 140 A CB 0.840 19.853 19.000 0.022 0.000 1.011 140 A HN 0.027 8.197 8.150 0.033 0.000 0.502 141 T N -3.645 110.923 114.554 0.023 0.000 3.069 141 T HA 0.173 4.757 4.350 0.013 -0.226 0.252 141 T C -0.483 174.226 174.700 0.015 0.000 1.053 141 T CA 0.028 62.138 62.100 0.017 0.000 0.964 141 T CB 0.442 69.320 68.868 0.018 0.000 1.005 141 T HN 0.589 8.845 8.240 0.026 0.000 0.532 142 S N 0.198 115.907 115.700 0.015 0.000 2.579 142 S HA 0.181 4.659 4.470 0.013 0.000 0.272 142 S C -1.955 172.652 174.600 0.011 0.000 1.141 142 S CA -1.061 57.147 58.200 0.013 0.000 0.843 142 S CB 2.626 65.833 63.200 0.013 0.000 1.122 142 S HN -0.771 7.498 8.310 0.017 0.051 0.468 143 E N 4.403 124.608 120.200 0.009 0.000 2.417 143 E HA -0.243 4.110 4.350 0.005 0.000 0.261 143 E C 1.159 177.763 176.600 0.006 0.000 1.000 143 E CA 1.337 57.740 56.400 0.006 0.000 0.919 143 E CB 0.171 29.873 29.700 0.004 0.000 0.955 143 E HN 0.466 8.832 8.360 0.010 0.000 0.455 144 G N 5.302 114.105 108.800 0.005 0.000 2.179 144 G HA2 -0.358 3.606 3.960 0.006 0.000 0.260 144 G HA3 -0.358 3.606 3.960 0.006 0.000 0.260 144 G C 0.086 174.993 174.900 0.011 0.000 0.977 144 G CA -0.193 44.911 45.100 0.007 0.000 0.641 144 G HN 0.497 8.789 8.290 0.004 0.000 0.533 145 G N -0.251 108.557 108.800 0.013 0.000 2.491 145 G HA2 0.051 4.021 3.960 0.016 0.000 0.242 145 G HA3 0.051 4.023 3.960 0.019 0.000 0.242 145 G C -0.356 174.557 174.900 0.021 0.000 1.266 145 G CA -0.172 44.938 45.100 0.018 0.000 0.844 145 G HN -0.480 7.760 8.290 0.012 0.057 0.571 146 S N 0.387 116.101 115.700 0.023 0.000 2.483 146 S HA 0.072 4.559 4.470 0.028 0.000 0.221 146 S C 0.102 174.721 174.600 0.032 0.000 1.030 146 S CA 0.132 58.348 58.200 0.026 0.000 0.925 146 S CB 0.205 63.419 63.200 0.023 0.000 0.795 146 S HN 0.185 8.508 8.310 0.021 0.000 0.511 147 S N 3.507 119.226 115.700 0.031 0.000 2.601 147 S HA 0.234 4.726 4.470 0.037 0.000 0.271 147 S C -1.058 173.570 174.600 0.047 0.000 1.305 147 S CA 0.168 58.390 58.200 0.037 0.000 1.022 147 S CB 0.533 63.753 63.200 0.033 0.000 0.940 147 S HN -0.138 8.189 8.310 0.028 0.000 0.525 148 T N 0.143 114.732 114.554 0.059 0.000 2.909 148 T HA 0.392 4.787 4.350 0.075 0.000 0.299 148 T C -1.922 172.837 174.700 0.099 0.000 1.073 148 T CA -2.756 59.394 62.100 0.083 0.000 0.999 148 T CB 1.431 70.362 68.868 0.104 0.000 1.098 148 T HN -0.093 8.181 8.240 0.056 0.000 0.477 149 P HA 0.207 4.685 4.420 0.096 0.000 0.272 149 P C -0.047 177.374 177.300 0.201 0.000 1.223 149 P CA -0.524 62.653 63.100 0.128 0.000 0.784 149 P CB 1.046 32.809 31.700 0.105 0.000 0.923 150 V N 0.833 120.846 119.914 0.164 0.000 2.379 150 V HA -0.284 3.930 4.120 0.156 0.000 0.245 150 V C -0.289 176.000 176.094 0.326 0.000 1.044 150 V CA 2.472 64.881 62.300 0.181 0.000 1.036 150 V CB -0.162 31.724 31.823 0.105 0.000 0.664 150 V HN 0.312 8.576 8.190 0.124 0.000 0.453 151 N N -3.283 115.575 118.700 0.265 0.000 2.466 151 N HA 0.245 5.440 4.740 0.392 -0.220 0.294 151 N C -0.042 175.496 175.510 0.046 0.000 1.129 151 N CA -1.264 51.934 53.050 0.246 0.000 0.931 151 N CB 1.119 39.678 38.487 0.120 0.000 1.193 151 N HN -0.643 7.848 8.380 0.185 0.000 0.500 152 L N 2.355 123.475 121.223 -0.171 0.000 2.499 152 L HA -0.120 3.457 4.340 -1.272 0.000 0.273 152 L C -1.263 175.395 176.870 -0.353 0.000 1.195 152 L CA 0.776 55.197 54.840 -0.699 0.000 0.882 152 L CB 0.671 42.319 42.059 -0.686 0.000 1.133 152 L HN -0.178 8.069 8.230 0.028 0.000 0.483 153 L N 5.336 126.340 121.223 -0.364 0.000 2.322 153 L HA 0.735 5.139 4.340 -0.129 -0.141 0.269 153 L C -1.330 175.425 176.870 -0.191 0.000 1.012 153 L CA -1.471 53.254 54.840 -0.191 0.000 0.815 153 L CB 2.659 44.646 42.059 -0.121 0.000 1.295 153 L HN -0.007 7.929 8.230 -0.490 0.000 0.438 154 K N -2.170 118.181 120.400 -0.082 0.000 2.512 154 K HA 1.027 5.465 4.320 -0.105 -0.180 0.263 154 K C -2.297 174.302 176.600 -0.002 0.000 0.966 154 K CA -1.679 54.585 56.287 -0.038 0.000 0.851 154 K CB 4.495 37.065 32.500 0.117 0.000 1.395 154 K HN 0.648 8.867 8.250 -0.052 0.000 0.440 155 V N 0.113 120.034 119.914 0.011 0.000 3.012 155 V HA 0.326 4.459 4.120 0.022 0.000 0.307 155 V C -2.702 173.411 176.094 0.032 0.000 1.166 155 V CA -2.033 60.279 62.300 0.020 0.000 0.974 155 V CB 4.249 36.080 31.823 0.013 0.000 1.040 155 V HN 0.475 8.669 8.190 0.005 0.000 0.428 156 T N 8.372 122.943 114.554 0.030 0.000 2.771 156 T HA 0.776 5.344 4.350 0.031 -0.199 0.281 156 T C -0.889 173.823 174.700 0.021 0.000 0.982 156 T CA -0.353 61.763 62.100 0.027 0.000 0.978 156 T CB 0.742 69.624 68.868 0.024 0.000 0.930 156 T HN 0.230 8.486 8.240 0.025 0.000 0.447 157 V N 1.133 121.057 119.914 0.017 0.000 3.007 157 V HA 0.780 4.913 4.120 0.021 0.000 0.311 157 V C -2.817 173.285 176.094 0.014 0.000 1.120 157 V CA -4.420 57.892 62.300 0.020 0.000 0.980 157 V CB 1.917 33.760 31.823 0.034 0.000 1.033 157 V HN 0.746 8.944 8.190 0.013 0.000 0.429 158 P HA 0.394 4.991 4.420 0.007 -0.173 0.281 158 P C -0.570 176.748 177.300 0.031 0.000 1.249 158 P CA -1.613 61.496 63.100 0.015 0.000 0.810 158 P CB 0.940 32.648 31.700 0.014 0.000 1.008 159 I N 1.347 121.932 120.570 0.025 0.000 2.648 159 I HA -0.066 4.302 4.170 0.103 -0.136 0.284 159 I C 0.210 176.362 176.117 0.057 0.000 1.153 159 I CA -0.435 60.899 61.300 0.057 0.000 1.426 159 I CB -0.933 37.070 38.000 0.005 0.000 1.381 159 I HN 0.177 8.391 8.210 0.006 0.000 0.571 160 V N 8.338 128.306 119.914 0.090 0.000 2.427 160 V HA 0.192 4.341 4.120 0.049 0.000 0.286 160 V C -0.711 175.430 176.094 0.078 0.000 1.034 160 V CA -1.323 61.019 62.300 0.071 0.000 0.893 160 V CB 1.299 33.167 31.823 0.074 0.000 0.982 160 V HN -0.069 8.091 8.190 0.129 0.108 0.452 161 S N 6.450 122.181 115.700 0.052 0.000 2.558 161 S HA -0.101 4.399 4.470 0.052 0.000 0.287 161 S C 1.005 175.646 174.600 0.068 0.000 1.321 161 S CA 0.326 58.557 58.200 0.051 0.000 1.048 161 S CB 1.155 64.374 63.200 0.032 0.000 0.844 161 S HN 0.338 8.671 8.310 0.039 0.000 0.512 162 R N 3.843 124.388 120.500 0.075 0.000 2.120 162 R HA -0.460 3.939 4.340 0.099 0.000 0.234 162 R C 1.461 177.804 176.300 0.072 0.000 1.123 162 R CA 4.287 60.438 56.100 0.085 0.000 0.975 162 R CB -0.123 30.228 30.300 0.085 0.000 0.866 162 R HN 0.537 8.848 8.270 0.069 0.000 0.446 163 A N -2.646 120.206 122.820 0.053 0.000 1.877 163 A HA -0.148 4.200 4.320 0.048 0.000 0.216 163 A C 2.330 179.938 177.584 0.040 0.000 1.186 163 A CA 3.064 55.127 52.037 0.044 0.000 0.620 163 A CB -0.958 18.061 19.000 0.030 0.000 0.822 163 A HN 0.208 8.372 8.150 0.048 0.015 0.443 164 T N 0.563 115.137 114.554 0.033 0.000 2.746 164 T HA -0.339 4.014 4.350 0.005 0.000 0.267 164 T C 1.632 176.351 174.700 0.031 0.000 1.039 164 T CA 4.695 66.806 62.100 0.018 0.000 1.142 164 T CB -0.259 68.615 68.868 0.010 0.000 0.866 164 T HN -0.612 7.649 8.240 0.034 0.000 0.444 165 c N 2.097 120.739 118.600 0.071 0.000 2.425 165 c HA -0.346 4.304 4.570 0.133 0.000 0.277 165 c C 1.837 176.037 174.090 0.182 0.000 1.280 165 c CA 2.955 59.365 56.329 0.134 0.000 1.744 165 c CB -1.790 40.798 42.510 0.131 0.000 1.989 165 c HN -0.118 8.154 8.230 0.070 0.000 0.491 166 R N -0.747 119.831 120.500 0.131 0.000 2.115 166 R HA -0.257 4.318 4.340 0.185 -0.124 0.230 166 R C 2.481 178.839 176.300 0.097 0.000 1.111 166 R CA 3.171 59.351 56.100 0.135 0.000 0.976 166 R CB -0.260 30.098 30.300 0.097 0.000 0.870 166 R HN 0.032 8.365 8.270 0.105 0.000 0.445 167 A N -1.827 121.020 122.820 0.046 0.000 1.969 167 A HA -0.202 4.125 4.320 0.012 0.000 0.218 167 A C 1.422 178.978 177.584 -0.045 0.000 1.169 167 A CA 2.392 54.429 52.037 0.001 0.000 0.635 167 A CB -0.586 18.401 19.000 -0.021 0.000 0.810 167 A HN -0.575 7.483 8.150 0.044 0.118 0.445 168 Q N -2.552 117.197 119.800 -0.084 0.000 2.049 168 Q HA -0.234 3.889 4.340 -0.363 0.000 0.198 168 Q C 1.622 177.489 176.000 -0.221 0.000 0.971 168 Q CA 2.593 58.222 55.803 -0.289 0.000 0.833 168 Q CB 0.570 29.046 28.738 -0.437 0.000 0.896 168 Q HN -0.567 7.566 8.270 -0.031 0.118 0.434 169 Y N -4.683 115.688 120.300 0.117 0.000 2.462 169 Y HA 0.037 4.742 4.550 0.258 0.000 0.253 169 Y C -0.327 175.666 175.900 0.156 0.000 1.095 169 Y CA 0.621 58.841 58.100 0.200 0.000 1.283 169 Y CB 1.475 40.084 38.460 0.249 0.000 1.138 169 Y HN -0.568 7.843 8.280 0.218 0.000 0.522 170 G N -1.414 107.528 108.800 0.236 0.000 2.592 170 G HA2 -0.235 3.795 3.960 0.117 0.000 0.685 170 G HA3 -0.235 3.822 3.960 0.161 0.000 0.685 170 G C -0.865 174.123 174.900 0.148 0.000 1.278 170 G CA -0.770 44.426 45.100 0.160 0.000 0.822 170 G HN -0.523 7.788 8.290 0.204 0.102 0.652 171 T N 0.791 115.404 114.554 0.099 0.000 2.684 171 T HA -0.318 4.085 4.350 0.087 0.000 0.267 171 T C 1.531 176.282 174.700 0.084 0.000 1.036 171 T CA 3.899 66.049 62.100 0.083 0.000 1.148 171 T CB 0.034 68.937 68.868 0.057 0.000 0.863 171 T HN 0.089 8.380 8.240 0.084 0.000 0.436 172 S N 0.126 115.870 115.700 0.074 0.000 2.527 172 S HA -0.072 4.429 4.470 0.051 0.000 0.222 172 S C 1.194 175.835 174.600 0.068 0.000 0.985 172 S CA 1.251 59.485 58.200 0.057 0.000 0.921 172 S CB -0.720 62.500 63.200 0.034 0.000 0.772 172 S HN 0.021 8.374 8.310 0.072 0.000 0.529 173 A N 0.604 123.492 122.820 0.112 0.000 2.016 173 A HA -0.042 4.315 4.320 0.062 0.000 0.217 173 A C -0.220 177.488 177.584 0.207 0.000 1.162 173 A CA 1.584 53.706 52.037 0.142 0.000 0.662 173 A CB 0.616 19.762 19.000 0.244 0.000 0.812 173 A HN -0.547 7.624 8.150 0.130 0.056 0.450 174 I N -1.095 119.586 120.570 0.185 0.000 2.330 174 I HA 0.311 4.602 4.170 0.202 0.000 0.286 174 I C -0.716 175.471 176.117 0.117 0.000 1.025 174 I CA -2.879 58.520 61.300 0.165 0.000 1.197 174 I CB -1.122 36.960 38.000 0.136 0.000 1.358 174 I HN -0.694 7.615 8.210 0.166 0.000 0.467 175 T N 5.646 120.265 114.554 0.109 0.000 2.884 175 T HA 0.271 4.663 4.350 0.070 0.000 0.277 175 T C 0.986 175.735 174.700 0.082 0.000 0.976 175 T CA -2.125 60.022 62.100 0.079 0.000 0.956 175 T CB 1.818 70.721 68.868 0.059 0.000 1.113 175 T HN -0.366 7.951 8.240 0.129 0.000 0.554 176 N N -2.206 116.535 118.700 0.067 0.000 2.571 176 N HA -0.144 4.643 4.740 0.079 0.000 0.189 176 N C -0.288 175.270 175.510 0.080 0.000 1.154 176 N CA 1.391 54.484 53.050 0.071 0.000 0.907 176 N CB -0.689 37.831 38.487 0.055 0.000 0.977 176 N HN 0.446 8.860 8.380 0.057 0.000 0.449 177 Q N -3.236 116.607 119.800 0.072 0.000 2.220 177 Q HA 0.102 4.490 4.340 0.080 0.000 0.205 177 Q C -1.240 174.821 176.000 0.102 0.000 0.865 177 Q CA -0.417 55.427 55.803 0.068 0.000 0.960 177 Q CB 0.192 28.932 28.738 0.003 0.000 1.097 177 Q HN -0.642 7.599 8.270 0.064 0.067 0.493 178 M N -1.150 118.524 119.600 0.123 0.000 2.602 178 M HA 0.860 5.572 4.480 0.063 -0.195 0.312 178 M C -1.630 174.782 176.300 0.188 0.000 1.181 178 M CA -0.867 54.493 55.300 0.100 0.000 0.910 178 M CB 4.818 37.465 32.600 0.077 0.000 1.723 178 M HN -0.661 7.625 8.290 0.120 0.075 0.459 179 F N -2.671 117.321 119.950 0.070 0.000 2.629 179 F HA 0.602 5.155 4.527 0.044 0.000 0.316 179 F C -3.020 172.835 175.800 0.091 0.000 1.081 179 F CA -1.783 56.253 58.000 0.061 0.000 0.954 179 F CB 2.501 41.529 39.000 0.046 0.000 1.337 179 F HN 0.331 8.507 8.300 -0.207 0.000 0.474 180 c N -1.361 117.387 118.600 0.248 0.000 2.529 180 c HA 1.034 5.823 4.570 0.063 -0.182 0.329 180 c C -1.096 173.145 174.090 0.252 0.000 1.194 180 c CA -1.624 54.794 56.329 0.148 0.000 1.779 180 c CB 3.299 45.862 42.510 0.088 0.000 2.322 180 c HN 0.602 9.052 8.230 0.366 0.000 0.500 181 A N 0.742 123.699 122.820 0.228 0.000 2.574 181 A HA 0.892 5.409 4.320 0.136 -0.116 0.297 181 A C -2.232 175.442 177.584 0.150 0.000 1.062 181 A CA -1.195 50.942 52.037 0.166 0.000 0.686 181 A CB 3.318 22.355 19.000 0.062 0.000 1.285 181 A HN 0.549 8.851 8.150 0.252 0.000 0.403 182 G N -0.391 108.465 108.800 0.093 0.000 2.337 182 G HA2 0.078 4.083 3.960 0.076 0.000 0.298 182 G HA3 0.078 4.087 3.960 0.081 0.000 0.298 182 G C -2.610 172.318 174.900 0.046 0.000 1.335 182 G CA 0.692 45.837 45.100 0.075 0.000 0.875 182 G HN -0.015 8.322 8.290 0.077 0.000 0.579 183 V N -2.834 117.102 119.914 0.036 0.000 2.513 183 V HA 0.491 4.622 4.120 0.018 0.000 0.299 183 V C 1.129 177.230 176.094 0.011 0.000 1.035 183 V CA -2.861 59.452 62.300 0.021 0.000 0.889 183 V CB 2.635 34.470 31.823 0.020 0.000 0.988 183 V HN 0.269 8.484 8.190 0.041 0.000 0.440 184 S N 6.786 122.486 115.700 -0.000 0.000 2.399 184 S HA -0.221 4.234 4.470 -0.026 0.000 0.231 184 S C 1.328 175.919 174.600 -0.015 0.000 1.022 184 S CA 2.710 60.900 58.200 -0.017 0.000 0.983 184 S CB -0.775 62.411 63.200 -0.023 0.000 0.803 184 S HN 0.518 8.828 8.310 0.001 0.000 0.480 185 S N -1.385 114.313 115.700 -0.004 0.000 2.603 185 S HA 0.047 4.515 4.470 -0.004 0.000 0.220 185 S C 1.105 175.711 174.600 0.010 0.000 0.967 185 S CA -0.527 57.674 58.200 0.000 0.000 0.920 185 S CB -0.724 62.477 63.200 0.001 0.000 0.773 185 S HN -0.077 8.213 8.310 -0.001 0.019 0.529 186 G N 1.997 110.807 108.800 0.017 0.000 2.698 186 G HA2 -0.342 3.639 3.960 0.035 0.000 0.233 186 G HA3 -0.342 3.740 3.960 0.033 -0.102 0.233 186 G C 0.001 174.916 174.900 0.025 0.000 1.352 186 G CA -0.170 44.947 45.100 0.029 0.000 0.879 186 G HN -0.432 7.667 8.290 0.014 0.199 0.567 187 G N -3.624 105.193 108.800 0.027 0.000 2.232 187 G HA2 -0.449 3.524 3.960 0.021 0.000 0.226 187 G HA3 -0.449 3.523 3.960 0.019 0.000 0.226 187 G C -1.587 173.326 174.900 0.023 0.000 0.996 187 G CA 0.246 45.360 45.100 0.022 0.000 0.626 187 G HN 0.154 8.348 8.290 0.032 0.115 0.509 188 K N -0.345 120.072 120.400 0.028 0.000 2.541 188 K HA 0.756 5.327 4.320 0.025 -0.236 0.250 188 K C -1.864 174.761 176.600 0.042 0.000 0.950 188 K CA -1.178 55.127 56.287 0.029 0.000 0.805 188 K CB 3.378 35.894 32.500 0.027 0.000 1.166 188 K HN -0.444 7.755 8.250 0.031 0.070 0.430 189 D N 3.184 123.609 120.400 0.041 0.000 2.755 189 D HA 0.209 4.899 4.640 0.082 0.000 0.277 189 D C -1.827 174.501 176.300 0.047 0.000 1.261 189 D CA -0.565 53.469 54.000 0.057 0.000 0.759 189 D CB 3.607 44.434 40.800 0.046 0.000 1.279 189 D HN -0.007 8.382 8.370 0.032 0.000 0.420 190 S N -1.372 114.366 115.700 0.062 0.000 2.632 190 S HA 0.299 4.876 4.470 0.024 -0.093 0.267 190 S C -1.491 173.106 174.600 -0.004 0.000 1.276 190 S CA -0.322 57.896 58.200 0.029 0.000 0.998 190 S CB 0.900 64.128 63.200 0.047 0.000 0.953 190 S HN 0.296 8.663 8.310 0.096 0.000 0.547 191 c N -0.294 118.301 118.600 -0.008 0.000 3.335 191 c HA 0.302 4.862 4.570 -0.018 0.000 0.356 191 c C -1.150 172.932 174.090 -0.013 0.000 1.570 191 c CA -0.370 55.953 56.329 -0.011 0.000 1.271 191 c CB 3.275 45.785 42.510 0.001 0.000 1.873 191 c HN 0.278 8.814 8.230 -0.004 -0.308 0.439 192 Q N 1.789 121.580 119.800 -0.015 0.000 2.283 192 Q HA -0.159 4.156 4.340 -0.040 0.000 0.301 192 Q C 1.436 177.421 176.000 -0.025 0.000 1.063 192 Q CA 2.116 57.901 55.803 -0.030 0.000 0.952 192 Q CB 0.170 28.889 28.738 -0.031 0.000 1.166 192 Q HN 0.758 9.020 8.270 -0.012 0.000 0.381 193 G N 5.423 114.187 108.800 -0.060 0.000 2.213 193 G HA2 -0.407 3.670 3.960 -0.094 0.000 0.236 193 G HA3 -0.407 3.559 3.960 0.010 0.000 0.236 193 G C 0.080 174.992 174.900 0.021 0.000 0.991 193 G CA 0.713 45.793 45.100 -0.034 0.000 0.629 193 G HN 0.686 8.920 8.290 -0.094 0.000 0.517 194 D N 1.025 121.433 120.400 0.014 0.000 2.348 194 D HA 0.060 4.739 4.640 0.066 0.000 0.211 194 D C 0.053 176.363 176.300 0.017 0.000 0.998 194 D CA 1.143 55.161 54.000 0.030 0.000 0.873 194 D CB 0.394 41.202 40.800 0.012 0.000 0.925 194 D HN -0.073 8.211 8.370 -0.002 0.085 0.524 195 S N -1.174 114.517 115.700 -0.016 0.000 2.558 195 S HA -0.271 4.326 4.470 0.006 -0.123 0.291 195 S C 1.202 175.768 174.600 -0.057 0.000 1.306 195 S CA 2.588 60.771 58.200 -0.027 0.000 1.056 195 S CB -0.139 63.041 63.200 -0.034 0.000 0.836 195 S HN -0.219 8.020 8.310 -0.031 0.053 0.504 196 G N 4.823 113.600 108.800 -0.038 0.000 2.284 196 G HA2 -0.429 3.578 3.960 -0.022 0.000 0.247 196 G HA3 -0.429 3.616 3.960 -0.038 -0.108 0.247 196 G C -0.152 174.783 174.900 0.059 0.000 1.012 196 G CA 0.426 45.517 45.100 -0.014 0.000 0.618 196 G HN 0.571 8.743 8.290 -0.018 0.107 0.521 197 G N 1.064 109.908 108.800 0.074 0.000 2.616 197 G HA2 0.319 4.351 3.960 0.119 0.000 0.268 197 G HA3 0.319 4.320 3.960 0.068 0.000 0.268 197 G C -2.637 172.323 174.900 0.101 0.000 1.213 197 G CA -1.926 43.228 45.100 0.091 0.000 0.926 197 G HN -0.495 7.735 8.290 0.057 0.094 0.523 198 P HA 0.253 4.922 4.420 0.178 -0.142 0.282 198 P C -1.926 175.426 177.300 0.086 0.000 1.249 198 P CA -0.951 62.236 63.100 0.147 0.000 0.806 198 P CB 1.598 33.479 31.700 0.301 0.000 0.984 199 I N 1.946 122.590 120.570 0.122 0.000 2.465 199 I HA 0.825 5.225 4.170 0.040 -0.206 0.291 199 I C -2.011 174.181 176.117 0.126 0.000 1.014 199 I CA -2.609 58.726 61.300 0.059 0.000 1.093 199 I CB 3.509 41.426 38.000 -0.138 0.000 1.267 199 I HN -0.285 8.017 8.210 0.154 0.000 0.431 200 V N 4.503 124.504 119.914 0.145 0.000 2.864 200 V HA 1.030 5.390 4.120 0.126 -0.164 0.314 200 V C -0.961 175.180 176.094 0.078 0.000 1.073 200 V CA -3.822 58.572 62.300 0.157 0.000 0.956 200 V CB 3.216 35.215 31.823 0.293 0.000 1.023 200 V HN 0.722 8.995 8.190 0.137 0.000 0.435 201 D N 1.761 122.183 120.400 0.037 0.000 2.447 201 D HA 0.333 4.965 4.640 -0.013 0.000 0.265 201 D C 1.838 178.150 176.300 0.019 0.000 1.250 201 D CA -1.303 52.697 54.000 -0.000 0.000 1.046 201 D CB 0.933 41.711 40.800 -0.036 0.000 1.095 201 D HN -0.112 8.280 8.370 0.036 0.000 0.555 202 S N -3.200 112.499 115.700 -0.001 0.000 2.474 202 S HA -0.153 4.321 4.470 0.007 0.000 0.235 202 S C 0.904 175.503 174.600 -0.001 0.000 0.997 202 S CA 2.082 60.282 58.200 0.001 0.000 0.949 202 S CB -0.878 62.317 63.200 -0.009 0.000 0.766 202 S HN 0.483 8.786 8.310 -0.013 0.000 0.517 203 S N 2.243 117.944 115.700 0.002 0.000 2.575 203 S HA 0.202 4.670 4.470 -0.003 0.000 0.215 203 S C -0.325 174.287 174.600 0.020 0.000 0.966 203 S CA -0.081 58.120 58.200 0.003 0.000 0.911 203 S CB 0.112 63.310 63.200 -0.002 0.000 0.780 203 S HN -0.591 7.869 8.310 0.000 -0.150 0.514 204 N N -3.996 114.731 118.700 0.045 0.000 2.882 204 N HA -0.277 4.547 4.740 0.141 0.000 0.249 204 N C -1.122 174.459 175.510 0.119 0.000 1.079 204 N CA 1.162 54.275 53.050 0.104 0.000 0.800 204 N CB -1.418 37.114 38.487 0.075 0.000 1.124 204 N HN -0.031 8.257 8.380 0.042 0.117 0.557 205 T N 0.691 115.277 114.554 0.053 0.000 2.869 205 T HA -0.012 4.330 4.350 -0.013 0.000 0.295 205 T C -0.954 173.750 174.700 0.006 0.000 0.987 205 T CA 1.400 63.504 62.100 0.007 0.000 1.109 205 T CB 1.056 69.917 68.868 -0.012 0.000 0.932 205 T HN -0.541 7.914 8.240 0.040 -0.191 0.518 206 L N 7.586 128.770 121.223 -0.066 0.000 2.369 206 L HA 0.027 4.384 4.340 0.028 0.000 0.279 206 L C -0.718 176.154 176.870 0.002 0.000 1.108 206 L CA -0.044 54.769 54.840 -0.046 0.000 0.852 206 L CB 0.266 42.211 42.059 -0.189 0.000 1.169 206 L HN 0.398 8.556 8.230 -0.121 0.000 0.452 207 I N -0.820 119.780 120.570 0.051 0.000 4.035 207 I HA 0.422 4.601 4.170 0.015 0.000 0.321 207 I C -0.670 175.585 176.117 0.229 0.000 1.289 207 I CA -0.621 60.707 61.300 0.047 0.000 1.236 207 I CB 1.100 39.040 38.000 -0.099 0.000 1.076 207 I HN 0.050 8.306 8.210 0.077 0.000 0.418 208 G N -1.893 107.074 108.800 0.277 0.000 2.495 208 G HA2 0.294 4.555 3.960 0.326 0.000 0.294 208 G HA3 0.294 4.552 3.960 0.490 -0.005 0.294 208 G C -3.253 171.784 174.900 0.228 0.000 1.397 208 G CA 0.366 45.674 45.100 0.347 0.000 0.790 208 G HN -0.729 7.684 8.290 0.205 0.000 0.486 209 A N -1.972 120.971 122.820 0.204 0.000 2.386 209 A HA 1.006 5.644 4.320 0.178 -0.210 0.311 209 A C -1.097 176.595 177.584 0.181 0.000 1.068 209 A CA -2.584 49.556 52.037 0.171 0.000 0.743 209 A CB 3.708 22.773 19.000 0.108 0.000 1.258 209 A HN 0.005 8.270 8.150 0.191 0.000 0.429 210 V N 1.624 121.638 119.914 0.167 0.000 2.557 210 V HA -0.281 3.718 4.120 -0.201 0.000 0.301 210 V C -0.620 175.435 176.094 -0.064 0.000 1.026 210 V CA 1.909 64.198 62.300 -0.018 0.000 1.137 210 V CB -1.252 30.585 31.823 0.022 0.000 0.917 210 V HN -0.006 8.285 8.190 0.169 0.000 0.484 211 S N 8.764 124.341 115.700 -0.205 0.000 3.334 211 S HA 0.301 4.909 4.470 0.230 0.000 0.224 211 S C -1.446 173.235 174.600 0.135 0.000 0.959 211 S CA 0.072 58.313 58.200 0.069 0.000 0.815 211 S CB 2.723 65.985 63.200 0.104 0.000 0.861 211 S HN 0.090 8.099 8.310 -0.501 0.000 0.596 212 W N -2.821 118.307 121.300 -0.287 0.000 2.937 212 W HA 0.267 4.789 4.660 -0.231 0.000 0.360 212 W C -2.985 173.370 176.519 -0.275 0.000 1.215 212 W CA -0.768 56.420 57.345 -0.263 0.000 1.183 212 W CB 1.479 30.783 29.460 -0.261 0.000 1.458 212 W HN -0.038 7.886 8.180 -0.426 0.000 0.574 213 G N -2.738 106.061 108.800 -0.001 0.000 2.349 213 G HA2 -0.096 3.616 3.960 -0.414 0.000 0.294 213 G HA3 -0.096 3.768 3.960 -0.160 0.000 0.294 213 G C -2.539 172.462 174.900 0.168 0.000 1.380 213 G CA 0.386 45.417 45.100 -0.115 0.000 0.811 213 G HN -0.047 8.384 8.290 0.235 0.000 0.519 214 N N 2.479 121.306 118.700 0.212 0.000 2.521 214 N HA 0.090 4.876 4.740 0.075 0.000 0.236 214 N C 0.593 176.082 175.510 -0.035 0.000 1.067 214 N CA -1.608 51.479 53.050 0.062 0.000 0.939 214 N CB -0.575 37.773 38.487 -0.231 0.000 1.201 214 N HN -0.244 8.310 8.380 0.289 0.000 0.511 215 G N 3.419 112.207 108.800 -0.020 0.000 2.601 215 G HA2 -0.371 3.579 3.960 -0.017 0.000 0.252 215 G HA3 -0.371 3.668 3.960 -0.034 -0.100 0.252 215 G C -1.247 173.654 174.900 0.002 0.000 1.294 215 G CA -0.256 44.832 45.100 -0.020 0.000 0.912 215 G HN -0.301 7.987 8.290 -0.004 0.000 0.574 216 c N 1.785 120.389 118.600 0.007 0.000 2.481 216 c HA 0.104 4.801 4.570 0.013 -0.120 0.324 216 c C -0.416 173.691 174.090 0.027 0.000 1.170 216 c CA -0.525 55.812 56.329 0.014 0.000 1.361 216 c CB 0.883 43.397 42.510 0.007 0.000 1.977 216 c HN -0.193 8.306 8.230 0.004 -0.266 0.459 217 A N 2.439 125.283 122.820 0.039 0.000 2.860 217 A HA -0.436 3.913 4.320 0.048 0.000 0.267 217 A C -1.044 176.571 177.584 0.052 0.000 1.421 217 A CA 1.063 53.125 52.037 0.043 0.000 0.831 217 A CB -0.715 18.303 19.000 0.031 0.000 1.041 217 A HN 0.859 9.386 8.150 0.040 -0.353 0.623 218 R N -2.039 118.505 120.500 0.075 0.000 2.441 218 R HA 0.160 4.544 4.340 0.074 0.000 0.284 218 R C -2.145 174.220 176.300 0.109 0.000 1.070 218 R CA -2.625 53.535 56.100 0.099 0.000 1.047 218 R CB 0.259 30.644 30.300 0.141 0.000 1.016 218 R HN -0.106 8.170 8.270 0.079 0.041 0.477 219 P HA -0.271 4.341 4.420 0.016 -0.182 0.266 219 P C -0.530 176.761 177.300 -0.016 0.000 1.195 219 P CA 0.724 63.841 63.100 0.028 0.000 0.768 219 P CB 0.182 31.891 31.700 0.015 0.000 0.838 220 N N -4.836 113.803 118.700 -0.103 0.000 2.753 220 N HA -0.464 4.136 4.740 -0.234 0.000 0.251 220 N C -1.649 173.507 175.510 -0.589 0.000 1.097 220 N CA 1.987 54.859 53.050 -0.297 0.000 0.786 220 N CB -1.294 36.988 38.487 -0.342 0.000 1.137 220 N HN 0.229 8.569 8.380 -0.066 0.000 0.566 221 Y N -2.002 118.239 120.300 -0.099 0.000 2.445 221 Y HA 0.031 4.407 4.550 -0.290 0.000 0.332 221 Y C -1.409 174.496 175.900 0.009 0.000 1.037 221 Y CA -1.294 56.719 58.100 -0.146 0.000 1.296 221 Y CB 1.471 39.846 38.460 -0.143 0.000 1.099 221 Y HN -0.788 7.428 8.280 0.002 0.065 0.496 222 S N 2.456 118.263 115.700 0.178 0.000 2.584 222 S HA -0.126 4.409 4.470 0.108 0.000 0.270 222 S C 0.173 174.831 174.600 0.097 0.000 1.346 222 S CA 0.610 58.899 58.200 0.148 0.000 1.018 222 S CB 0.544 63.823 63.200 0.132 0.000 0.899 222 S HN -0.041 8.347 8.310 0.130 0.000 0.542 223 G N -0.251 108.563 108.800 0.023 0.000 2.483 223 G HA2 0.286 4.079 3.960 -0.279 0.000 0.248 223 G HA3 0.286 4.162 3.960 -0.140 0.000 0.248 223 G C -2.029 172.626 174.900 -0.409 0.000 1.248 223 G CA -0.362 44.620 45.100 -0.196 0.000 0.838 223 G HN -0.049 8.295 8.290 0.089 0.000 0.566 224 V N 2.730 122.106 119.914 -0.898 0.000 2.459 224 V HA 0.521 4.406 4.120 -0.637 -0.147 0.295 224 V C -1.091 174.360 176.094 -1.070 0.000 1.029 224 V CA -1.251 60.454 62.300 -0.991 0.000 0.874 224 V CB 2.235 33.061 31.823 -1.662 0.000 0.985 224 V HN 0.269 7.888 8.190 -0.951 0.000 0.438 225 Y N 4.758 124.675 120.300 -0.638 0.000 2.462 225 Y HA 0.478 4.918 4.550 -0.386 -0.121 0.346 225 Y C -1.145 174.485 175.900 -0.451 0.000 0.976 225 Y CA -2.087 55.642 58.100 -0.619 0.000 1.044 225 Y CB 4.181 41.970 38.460 -1.118 0.000 1.230 225 Y HN 0.629 8.585 8.280 -0.541 0.000 0.455 226 A N 1.938 124.720 122.820 -0.063 0.000 2.409 226 A HA 0.268 4.738 4.320 0.041 -0.125 0.262 226 A C -1.299 176.372 177.584 0.145 0.000 1.113 226 A CA -0.684 51.378 52.037 0.042 0.000 0.790 226 A CB 0.606 19.645 19.000 0.065 0.000 1.046 226 A HN 0.403 8.534 8.150 -0.032 0.000 0.496 227 S N 4.595 120.426 115.700 0.219 0.000 2.439 227 S HA 0.299 5.125 4.470 0.594 0.000 0.282 227 S C 1.195 175.926 174.600 0.218 0.000 1.170 227 S CA -1.226 57.192 58.200 0.363 0.000 1.054 227 S CB 0.177 63.580 63.200 0.339 0.000 0.956 227 S HN -0.149 8.259 8.310 0.164 0.000 0.490 228 V N 8.409 128.451 119.914 0.213 0.000 2.343 228 V HA -0.321 3.884 4.120 0.142 0.000 0.247 228 V C 1.706 177.861 176.094 0.102 0.000 1.051 228 V CA 3.238 65.620 62.300 0.137 0.000 1.036 228 V CB -0.452 31.435 31.823 0.105 0.000 0.654 228 V HN 0.282 8.636 8.190 0.273 0.000 0.451 229 G N -1.126 107.719 108.800 0.076 0.000 2.476 229 G HA2 -0.321 3.795 3.960 0.034 0.000 0.218 229 G HA3 -0.321 3.833 3.960 0.023 -0.180 0.218 229 G C 0.475 175.415 174.900 0.066 0.000 1.164 229 G CA 2.073 47.200 45.100 0.045 0.000 0.768 229 G HN 0.053 8.391 8.290 0.078 0.000 0.560 230 A N 0.801 123.672 122.820 0.085 0.000 1.968 230 A HA -0.023 4.339 4.320 0.071 0.000 0.217 230 A C 0.675 178.317 177.584 0.096 0.000 1.169 230 A CA 2.296 54.382 52.037 0.082 0.000 0.638 230 A CB -0.166 18.884 19.000 0.082 0.000 0.812 230 A HN -0.558 7.641 8.150 0.100 0.011 0.446 231 L N -5.962 115.333 121.223 0.119 0.000 2.818 231 L HA 0.236 4.688 4.340 0.187 0.000 0.243 231 L C 0.515 177.530 176.870 0.242 0.000 1.185 231 L CA -1.142 53.805 54.840 0.179 0.000 0.988 231 L CB -0.491 41.649 42.059 0.135 0.000 1.292 231 L HN -0.867 7.289 8.230 0.119 0.145 0.519 232 R N 0.211 120.805 120.500 0.156 0.000 2.120 232 R HA -0.355 4.053 4.340 0.115 0.000 0.234 232 R C 1.542 177.914 176.300 0.120 0.000 1.123 232 R CA 2.769 58.940 56.100 0.118 0.000 0.975 232 R CB -0.565 29.776 30.300 0.067 0.000 0.866 232 R HN -0.741 7.536 8.270 0.128 0.070 0.446 233 S N -1.117 114.668 115.700 0.143 0.000 2.370 233 S HA -0.292 4.218 4.470 0.066 0.000 0.226 233 S C 1.401 176.094 174.600 0.155 0.000 1.033 233 S CA 3.499 61.771 58.200 0.120 0.000 1.011 233 S CB -0.951 62.321 63.200 0.120 0.000 0.852 233 S HN 0.106 8.488 8.310 0.150 0.017 0.457 234 F N 3.579 123.601 119.950 0.120 0.000 2.102 234 F HA -0.261 4.341 4.527 0.126 0.000 0.298 234 F C 1.189 177.092 175.800 0.172 0.000 1.105 234 F CA 2.648 60.745 58.000 0.163 0.000 1.239 234 F CB 0.061 39.228 39.000 0.279 0.000 0.991 234 F HN -0.983 7.580 8.300 0.439 0.000 0.474 235 I N -1.061 119.497 120.570 -0.020 0.000 2.163 235 I HA -0.710 3.257 4.170 -0.338 0.000 0.243 235 I C 1.671 177.696 176.117 -0.153 0.000 1.085 235 I CA 4.195 65.401 61.300 -0.155 0.000 1.347 235 I CB -0.399 37.604 38.000 0.005 0.000 1.044 235 I HN -0.761 7.579 8.210 0.215 0.000 0.408 236 D N -1.171 119.176 120.400 -0.089 0.000 2.178 236 D HA -0.204 4.383 4.640 -0.088 0.000 0.201 236 D C 2.253 178.453 176.300 -0.166 0.000 0.980 236 D CA 2.984 56.925 54.000 -0.097 0.000 0.842 236 D CB -0.487 40.279 40.800 -0.057 0.000 0.948 236 D HN -0.076 8.271 8.370 -0.039 0.000 0.472 237 T N -0.692 113.712 114.554 -0.251 0.000 2.821 237 T HA -0.212 3.925 4.350 -0.355 0.000 0.267 237 T C 0.729 175.072 174.700 -0.594 0.000 1.046 237 T CA 3.172 64.992 62.100 -0.467 0.000 1.139 237 T CB 0.478 68.955 68.868 -0.651 0.000 0.871 237 T HN -0.508 7.487 8.240 -0.209 0.120 0.454 238 Y N -2.332 117.828 120.300 -0.233 0.000 2.453 238 Y HA 0.052 4.509 4.550 -0.155 0.000 0.247 238 Y C -0.733 175.053 175.900 -0.190 0.000 1.124 238 Y CA -0.843 57.125 58.100 -0.220 0.000 1.243 238 Y CB 0.599 38.868 38.460 -0.318 0.000 1.213 238 Y HN -0.793 7.314 8.280 -0.289 0.000 0.523 239 A N 0.000 122.772 122.820 -0.080 0.000 2.254 239 A HA 0.000 4.276 4.320 -0.073 0.000 0.244 239 A CA 0.000 51.988 52.037 -0.082 0.000 0.836 239 A CB 0.000 18.942 19.000 -0.096 0.000 0.831 239 A HN 0.000 8.077 8.150 -0.122 0.000 0.486