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 1fy4_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGTSASAG DFPFIVSISR XNGGPWCGGS LLNANTVLTA AHCAQSGFQR DATA SEQUENCE AXXGSLSRTS GXXXGITSSL SSVRVHPSYS GXXNNNDLAI LKLSTSIPSG DATA SEQUENCE GNIGYARLAA SGSDPVAGSS ATVAGWGATS EGGSSTPVNL LKVTVPIVSR DATA SEQUENCE ATCRAQYTSA ITNQMFCAVS SGKDSCQGDS GGPIVSSNTX XXXLIGAVSW DATA SEQUENCE GNXGCRPNYS GVYASVGALR SFIDTYA 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 4.164 4.170 -0.010 0.000 0.288 16 I C 0.000 176.113 176.117 -0.006 0.000 1.063 16 I CA 0.000 61.289 61.300 -0.018 0.000 1.566 16 I CB 0.000 37.970 38.000 -0.049 0.000 1.214 17 V N 5.264 125.179 119.914 0.002 0.000 2.427 17 V HA 0.208 4.332 4.120 0.006 0.000 0.286 17 V C 0.730 176.829 176.094 0.007 0.000 1.034 17 V CA -1.827 60.477 62.300 0.007 0.000 0.893 17 V CB 0.734 32.563 31.823 0.011 0.000 0.982 17 V HN 0.747 8.940 8.190 0.005 0.000 0.452 18 G N 7.106 115.910 108.800 0.006 0.000 2.147 18 G HA2 -0.379 3.585 3.960 0.007 0.000 0.244 18 G HA3 -0.379 3.759 3.960 0.009 -0.172 0.244 18 G C -0.799 174.103 174.900 0.004 0.000 1.005 18 G CA 0.366 45.470 45.100 0.007 0.000 0.713 18 G HN 0.756 9.049 8.290 0.006 0.000 0.515 19 G N -2.354 106.445 108.800 -0.002 0.000 2.537 19 G HA2 0.345 4.352 3.960 -0.002 0.000 0.297 19 G HA3 0.345 4.333 3.960 -0.015 -0.037 0.297 19 G C -1.701 173.196 174.900 -0.006 0.000 1.310 19 G CA -0.881 44.215 45.100 -0.006 0.000 1.027 19 G HN -0.468 7.788 8.290 -0.003 0.032 0.505 20 T N -1.507 113.042 114.554 -0.007 0.000 2.901 20 T HA 0.292 4.638 4.350 -0.006 0.000 0.293 20 T C -0.899 173.793 174.700 -0.014 0.000 1.084 20 T CA -1.959 60.137 62.100 -0.007 0.000 1.008 20 T CB 1.285 70.152 68.868 -0.001 0.000 1.170 20 T HN 0.349 8.585 8.240 -0.007 0.000 0.509 21 S N 3.599 119.291 115.700 -0.013 0.000 2.537 21 S HA -0.146 4.306 4.470 -0.031 0.000 0.286 21 S C -0.472 174.119 174.600 -0.015 0.000 1.299 21 S CA 1.144 59.332 58.200 -0.019 0.000 1.067 21 S CB 0.437 63.631 63.200 -0.010 0.000 0.864 21 S HN 0.161 8.465 8.310 -0.009 0.000 0.494 22 A N 6.113 128.922 122.820 -0.019 0.000 2.407 22 A HA -0.081 4.444 4.320 0.009 -0.199 0.248 22 A C -0.370 177.199 177.584 -0.025 0.000 1.082 22 A CA -0.040 51.997 52.037 0.000 0.000 0.785 22 A CB 0.984 20.013 19.000 0.049 0.000 1.020 22 A HN -0.036 8.088 8.150 -0.044 0.000 0.489 23 S N 2.164 117.830 115.700 -0.056 0.000 2.646 23 S HA 0.123 4.573 4.470 -0.034 0.000 0.276 23 S C -0.426 174.139 174.600 -0.059 0.000 1.222 23 S CA -0.438 57.728 58.200 -0.055 0.000 1.014 23 S CB 1.896 65.053 63.200 -0.072 0.000 0.991 23 S HN 0.397 9.387 8.310 -0.083 -0.730 0.533 24 A N 2.180 124.979 122.820 -0.035 0.000 2.545 24 A HA -0.204 4.110 4.320 -0.011 0.000 0.253 24 A C 0.712 178.262 177.584 -0.056 0.000 1.074 24 A CA 1.962 53.983 52.037 -0.026 0.000 0.760 24 A CB -0.621 18.372 19.000 -0.012 0.000 1.005 24 A HN 0.369 8.504 8.150 -0.026 0.000 0.506 25 G N 3.800 112.563 108.800 -0.062 0.000 2.176 25 G HA2 -0.363 3.559 3.960 -0.064 0.000 0.253 25 G HA3 -0.363 3.550 3.960 -0.079 0.000 0.253 25 G C -0.023 174.769 174.900 -0.180 0.000 0.979 25 G CA 0.341 45.388 45.100 -0.088 0.000 0.641 25 G HN 0.237 8.503 8.290 -0.040 0.000 0.530 26 D N 0.632 120.859 120.400 -0.289 0.000 2.144 26 D HA -0.211 4.101 4.640 -0.546 0.000 0.199 26 D C -0.464 175.258 176.300 -0.965 0.000 0.984 26 D CA 2.761 56.370 54.000 -0.652 0.000 0.834 26 D CB 0.524 40.834 40.800 -0.816 0.000 0.955 26 D HN -0.117 8.122 8.370 -0.219 0.000 0.465 27 F N -6.613 113.229 119.950 -0.180 0.000 2.794 27 F HA 0.396 4.721 4.527 -0.336 0.000 0.353 27 F C -2.427 173.123 175.800 -0.417 0.000 1.371 27 F CA -2.817 54.954 58.000 -0.381 0.000 1.173 27 F CB 0.033 38.708 39.000 -0.542 0.000 1.693 27 F HN -0.510 7.647 8.300 -0.238 0.000 0.606 28 P HA -0.092 4.437 4.420 -0.001 -0.109 0.221 28 P C 0.469 177.814 177.300 0.074 0.000 1.145 28 P CA 1.731 64.837 63.100 0.011 0.000 0.795 28 P CB 0.013 31.743 31.700 0.050 0.000 0.775 29 F N -7.173 112.867 119.950 0.149 0.000 2.797 29 F HA 0.415 5.210 4.527 0.155 -0.176 0.302 29 F C -0.419 175.493 175.800 0.185 0.000 1.130 29 F CA -2.261 55.838 58.000 0.166 0.000 1.387 29 F CB -0.493 38.612 39.000 0.175 0.000 1.107 29 F HN -0.475 7.646 8.300 -0.131 0.101 0.577 30 I N 2.050 122.493 120.570 -0.212 0.000 2.634 30 I HA 0.210 4.548 4.170 0.038 -0.146 0.284 30 I C -0.908 175.326 176.117 0.196 0.000 1.124 30 I CA 0.023 61.308 61.300 -0.025 0.000 1.417 30 I CB 1.785 39.709 38.000 -0.127 0.000 1.396 30 I HN -0.074 7.770 8.210 -0.335 0.165 0.571 31 V N 3.677 123.736 119.914 0.242 0.000 2.769 31 V HA 0.909 5.287 4.120 0.183 -0.148 0.312 31 V C -1.261 174.938 176.094 0.174 0.000 1.061 31 V CA -3.243 59.173 62.300 0.193 0.000 0.931 31 V CB 3.246 35.149 31.823 0.133 0.000 1.010 31 V HN 0.269 8.601 8.190 0.237 0.000 0.433 32 S N 2.281 117.890 115.700 -0.151 0.000 2.585 32 S HA 0.335 4.647 4.470 -0.264 0.000 0.277 32 S C -0.819 173.690 174.600 -0.152 0.000 1.241 32 S CA -1.420 56.513 58.200 -0.445 0.000 1.041 32 S CB 1.598 64.022 63.200 -1.292 0.000 0.987 32 S HN 0.045 8.254 8.310 -0.168 0.000 0.512 33 I N 3.166 123.714 120.570 -0.037 0.000 2.439 33 I HA 0.592 4.997 4.170 0.075 -0.190 0.283 33 I C -0.735 175.485 176.117 0.172 0.000 1.023 33 I CA -0.980 60.381 61.300 0.101 0.000 1.100 33 I CB 2.035 40.140 38.000 0.175 0.000 1.238 33 I HN 0.451 8.641 8.210 -0.033 0.000 0.445 34 S N 6.699 122.469 115.700 0.117 0.000 2.654 34 S HA 0.832 5.502 4.470 0.147 -0.113 0.283 34 S C -1.221 173.421 174.600 0.069 0.000 1.180 34 S CA -1.133 57.126 58.200 0.098 0.000 1.021 34 S CB 2.482 65.680 63.200 -0.002 0.000 1.018 34 S HN 0.482 8.838 8.310 0.077 0.000 0.532 38 G N -0.559 108.167 108.800 -0.123 0.000 2.179 38 G HA2 -0.290 3.631 3.960 -0.066 0.000 0.260 38 G HA3 -0.290 3.630 3.960 -0.066 0.000 0.260 38 G C -0.792 174.081 174.900 -0.045 0.000 0.977 38 G CA 0.713 45.770 45.100 -0.072 0.000 0.641 38 G HN 0.323 8.491 8.290 -0.144 0.036 0.533 39 G N -0.356 108.423 108.800 -0.034 0.000 2.568 39 G HA2 0.519 4.486 3.960 0.011 0.000 0.313 39 G HA3 0.519 4.496 3.960 0.028 0.000 0.313 39 G C -3.057 171.888 174.900 0.074 0.000 1.227 39 G CA -2.540 42.570 45.100 0.017 0.000 0.979 39 G HN -0.541 7.543 8.290 -0.061 0.170 0.486 40 P HA -0.153 4.317 4.420 0.083 0.000 0.269 40 P C -1.930 175.552 177.300 0.303 0.000 1.209 40 P CA 0.385 63.563 63.100 0.130 0.000 0.776 40 P CB 1.121 32.877 31.700 0.093 0.000 0.876 41 W N 1.812 123.131 121.300 0.033 0.000 5.371 41 W HA 0.179 4.881 4.660 0.071 0.000 0.169 41 W C -1.682 174.890 176.519 0.088 0.000 1.184 41 W CA 0.470 57.859 57.345 0.074 0.000 1.946 41 W CB 1.987 31.513 29.460 0.111 0.000 0.602 41 W HN -0.020 8.313 8.180 0.255 0.000 1.086 42 C N -6.237 113.145 119.300 0.136 0.000 3.276 42 C HA 0.896 5.509 4.460 -0.043 -0.178 0.370 42 C C -1.751 173.308 174.990 0.115 0.000 1.624 42 C CA -1.962 57.060 59.018 0.006 0.000 1.179 42 C CB 2.535 30.203 27.740 -0.120 0.000 1.909 42 C HN -0.006 8.382 8.230 0.264 0.000 0.434 43 G N -1.924 106.946 108.800 0.118 0.000 2.735 43 G HA2 0.861 5.077 3.960 0.228 0.000 0.301 43 G HA3 0.861 4.966 3.960 0.242 0.000 0.301 43 G C -2.537 172.439 174.900 0.127 0.000 1.279 43 G CA -1.793 43.422 45.100 0.193 0.000 1.019 43 G HN 0.421 8.750 8.290 0.065 0.000 0.497 44 G N -3.785 105.112 108.800 0.161 0.000 2.548 44 G HA2 0.530 4.830 3.960 0.123 0.000 0.301 44 G HA3 0.530 4.560 3.960 0.117 0.000 0.301 44 G C -2.870 172.158 174.900 0.213 0.000 1.349 44 G CA 0.236 45.422 45.100 0.143 0.000 0.792 44 G HN -0.212 8.203 8.290 0.209 0.000 0.481 45 S N -0.630 115.211 115.700 0.236 0.000 2.594 45 S HA 0.558 5.483 4.470 0.530 -0.137 0.296 45 S C -1.554 173.218 174.600 0.286 0.000 1.124 45 S CA -0.562 57.872 58.200 0.390 0.000 1.011 45 S CB 3.309 66.734 63.200 0.376 0.000 1.016 45 S HN 0.250 8.667 8.310 0.179 0.000 0.485 46 L N 6.452 127.895 121.223 0.366 0.000 2.369 46 L HA 0.169 4.755 4.340 0.188 -0.134 0.279 46 L C -0.855 176.146 176.870 0.219 0.000 1.108 46 L CA -0.321 54.685 54.840 0.278 0.000 0.852 46 L CB 0.432 42.711 42.059 0.367 0.000 1.169 46 L HN 0.661 9.186 8.230 0.492 0.000 0.452 47 L N 5.835 127.083 121.223 0.040 0.000 2.298 47 L HA -0.049 4.269 4.340 -0.036 0.000 0.209 47 L C -0.001 176.695 176.870 -0.290 0.000 1.084 47 L CA 1.138 55.936 54.840 -0.070 0.000 0.816 47 L CB 0.473 42.482 42.059 -0.084 0.000 0.967 47 L HN 0.497 8.741 8.230 0.023 0.000 0.460 48 N N -5.701 112.681 118.700 -0.530 0.000 3.339 48 N HA 0.043 3.520 4.740 -2.104 0.000 0.275 48 N C -0.852 174.220 175.510 -0.730 0.000 1.514 48 N CA -0.410 52.005 53.050 -1.058 0.000 0.879 48 N CB 0.873 39.044 38.487 -0.527 0.000 1.557 48 N HN -0.916 7.271 8.380 -0.322 0.000 0.524 49 A N -3.166 119.350 122.820 -0.508 0.000 2.019 49 A HA -0.059 4.514 4.320 0.115 -0.184 0.219 49 A C 0.357 177.928 177.584 -0.022 0.000 1.164 49 A CA 2.434 54.433 52.037 -0.064 0.000 0.644 49 A CB 0.097 19.122 19.000 0.042 0.000 0.805 49 A HN 0.442 8.283 8.150 -0.516 0.000 0.449 50 N N -6.926 111.731 118.700 -0.072 0.000 2.291 50 N HA 0.161 4.899 4.740 -0.004 0.000 0.244 50 N C -1.824 173.664 175.510 -0.036 0.000 1.216 50 N CA -1.239 51.793 53.050 -0.030 0.000 0.879 50 N CB 1.442 39.915 38.487 -0.023 0.000 1.167 50 N HN -0.429 8.072 8.380 -0.124 -0.195 0.515 51 T N 2.529 117.051 114.554 -0.054 0.000 2.971 51 T HA 0.650 5.194 4.350 -0.032 -0.214 0.304 51 T C -2.149 172.543 174.700 -0.014 0.000 1.038 51 T CA 0.119 62.192 62.100 -0.045 0.000 1.007 51 T CB 3.390 72.211 68.868 -0.078 0.000 1.055 51 T HN -0.668 7.551 8.240 -0.073 -0.023 0.451 52 V N 6.078 125.995 119.914 0.005 0.000 2.555 52 V HA 0.644 4.980 4.120 0.061 -0.180 0.302 52 V C -2.430 173.680 176.094 0.026 0.000 1.038 52 V CA -1.897 60.425 62.300 0.037 0.000 0.887 52 V CB 3.819 35.670 31.823 0.046 0.000 0.991 52 V HN 0.707 8.893 8.190 -0.005 0.000 0.434 53 L N 7.384 128.638 121.223 0.053 0.000 2.275 53 L HA 0.808 5.345 4.340 0.052 -0.166 0.288 53 L C -1.858 175.051 176.870 0.064 0.000 1.046 53 L CA -1.374 53.502 54.840 0.061 0.000 0.805 53 L CB 2.197 44.300 42.059 0.073 0.000 1.193 53 L HN 0.541 8.816 8.230 0.074 0.000 0.426 54 T N 5.401 119.975 114.554 0.034 0.000 2.696 54 T HA 0.513 5.054 4.350 0.028 -0.174 0.291 54 T C -1.977 172.704 174.700 -0.033 0.000 1.095 54 T CA -3.141 58.959 62.100 -0.001 0.000 1.026 54 T CB 2.191 71.032 68.868 -0.045 0.000 1.390 54 T HN 0.262 8.523 8.240 0.034 0.000 0.513 55 A N -0.144 122.611 122.820 -0.108 0.000 2.388 55 A HA 0.353 4.828 4.320 -0.079 -0.203 0.257 55 A C 0.467 177.892 177.584 -0.266 0.000 1.095 55 A CA -0.625 51.313 52.037 -0.165 0.000 0.791 55 A CB 1.054 19.897 19.000 -0.262 0.000 1.029 55 A HN 0.381 8.457 8.150 -0.122 0.000 0.489 56 A N 4.321 126.952 122.820 -0.314 0.000 1.940 56 A HA -0.345 3.727 4.320 -0.413 0.000 0.219 56 A C 1.121 178.436 177.584 -0.448 0.000 1.176 56 A CA 3.239 54.942 52.037 -0.558 0.000 0.631 56 A CB -0.254 18.006 19.000 -1.233 0.000 0.814 56 A HN 0.410 8.397 8.150 -0.252 0.012 0.446 57 H N -5.129 113.795 119.070 -0.243 0.000 2.521 57 H HA -0.127 4.473 4.556 0.074 0.000 0.286 57 H C -0.650 174.726 175.328 0.081 0.000 1.034 57 H CA 1.149 57.206 56.048 0.015 0.000 1.278 57 H CB -1.188 28.641 29.762 0.111 0.000 1.386 57 H HN -0.162 8.318 8.280 -0.149 -0.289 0.567 58 C N 2.147 121.221 119.300 -0.377 0.000 2.663 58 C HA -0.069 4.425 4.460 0.056 0.000 0.379 58 C C 0.205 175.338 174.990 0.238 0.000 1.255 58 C CA -0.326 58.665 59.018 -0.045 0.000 1.503 58 C CB -3.276 24.357 27.740 -0.178 0.000 2.187 58 C HN -0.613 7.237 8.230 -0.567 0.040 0.580 59 A N 6.499 129.335 122.820 0.026 0.000 2.475 59 A HA -0.305 4.035 4.320 0.033 0.000 0.289 59 A C 0.819 178.451 177.584 0.081 0.000 0.889 59 A CA 1.153 53.197 52.037 0.012 0.000 1.134 59 A CB 0.394 19.357 19.000 -0.063 0.000 0.732 59 A HN 0.438 8.571 8.150 -0.028 0.000 0.377 60 Q N 3.422 123.307 119.800 0.142 0.000 2.224 60 Q HA -0.255 4.377 4.340 0.487 0.000 0.203 60 Q C 1.564 177.673 176.000 0.181 0.000 0.970 60 Q CA 2.285 58.246 55.803 0.263 0.000 0.865 60 Q CB -0.260 28.569 28.738 0.152 0.000 0.922 60 Q HN 0.670 8.997 8.270 0.096 0.000 0.445 61 S N -0.959 114.762 115.700 0.035 0.000 2.469 61 S HA -0.179 4.298 4.470 0.012 0.000 0.238 61 S C 1.141 175.678 174.600 -0.106 0.000 0.998 61 S CA 1.930 60.120 58.200 -0.018 0.000 0.957 61 S CB -0.388 62.789 63.200 -0.038 0.000 0.764 61 S HN 0.032 8.322 8.310 0.020 0.033 0.514 62 G N -0.544 108.096 108.800 -0.266 0.000 2.598 62 G HA2 -0.043 3.713 3.960 -0.340 0.000 0.215 62 G HA3 -0.043 3.512 3.960 -0.675 0.000 0.215 62 G C -0.604 173.966 174.900 -0.550 0.000 1.131 62 G CA 0.507 45.316 45.100 -0.485 0.000 0.785 62 G HN -0.698 7.392 8.290 -0.254 0.047 0.539 63 F N 0.013 119.901 119.950 -0.104 0.000 2.399 63 F HA 0.781 5.475 4.527 -0.101 -0.229 0.334 63 F C -1.189 174.581 175.800 -0.050 0.000 1.097 63 F CA -0.670 57.281 58.000 -0.082 0.000 1.076 63 F CB 2.018 40.984 39.000 -0.056 0.000 1.162 63 F HN -0.731 7.466 8.300 -0.067 0.063 0.495 64 Q N 0.507 120.393 119.800 0.144 0.000 3.093 64 Q HA 0.793 5.318 4.340 0.076 -0.140 0.330 64 Q C -1.848 174.195 176.000 0.072 0.000 0.947 64 Q CA -1.710 54.138 55.803 0.076 0.000 0.801 64 Q CB 4.891 33.639 28.738 0.017 0.000 1.470 64 Q HN 0.133 8.498 8.270 0.159 0.000 0.498 65 R N -2.036 118.451 120.500 -0.021 0.000 3.070 65 R HA 0.423 4.949 4.340 -0.002 -0.187 0.249 65 R C -2.627 173.680 176.300 0.011 0.000 1.124 65 R CA 0.451 56.535 56.100 -0.026 0.000 1.111 65 R CB 3.451 33.698 30.300 -0.087 0.000 1.268 65 R HN 0.343 8.590 8.270 -0.037 0.000 0.466 70 S N -1.057 114.717 115.700 0.124 0.000 2.540 70 S HA 0.213 4.747 4.470 0.106 0.000 0.275 70 S C -0.070 174.673 174.600 0.238 0.000 1.123 70 S CA -0.894 57.387 58.200 0.135 0.000 0.907 70 S CB 1.412 64.671 63.200 0.097 0.000 1.081 70 S HN -0.542 7.860 8.310 0.152 0.000 0.476 71 L N 3.493 124.839 121.223 0.204 0.000 2.217 71 L HA -0.017 4.491 4.340 0.281 0.000 0.211 71 L C 0.212 177.344 176.870 0.437 0.000 1.107 71 L CA 0.947 55.946 54.840 0.264 0.000 0.783 71 L CB 0.290 42.432 42.059 0.139 0.000 0.919 71 L HN 0.397 8.715 8.230 0.146 0.000 0.442 72 S N -2.901 112.976 115.700 0.295 0.000 2.562 72 S HA 0.147 5.102 4.470 0.333 -0.285 0.275 72 S C 0.531 175.165 174.600 0.057 0.000 1.281 72 S CA -0.948 57.394 58.200 0.237 0.000 1.045 72 S CB 1.343 64.608 63.200 0.109 0.000 0.962 72 S HN -0.734 7.670 8.310 0.209 0.031 0.503 73 R N 3.558 123.937 120.500 -0.203 0.000 2.276 73 R HA 0.127 4.024 4.340 -0.739 0.000 0.196 73 R C 1.654 177.791 176.300 -0.271 0.000 0.961 73 R CA 1.366 57.105 56.100 -0.603 0.000 1.024 73 R CB 0.518 30.209 30.300 -1.015 0.000 0.940 73 R HN 0.089 8.326 8.270 -0.054 0.000 0.480 74 T N -4.754 109.728 114.554 -0.121 0.000 3.015 74 T HA 0.093 4.392 4.350 -0.085 0.000 0.250 74 T C -0.462 174.212 174.700 -0.042 0.000 1.057 74 T CA 0.335 62.393 62.100 -0.070 0.000 1.066 74 T CB 1.108 69.958 68.868 -0.030 0.000 0.959 74 T HN -0.170 7.968 8.240 -0.078 0.054 0.488 75 S N 0.627 116.312 115.700 -0.025 0.000 2.570 75 S HA 0.163 4.627 4.470 -0.010 0.000 0.270 75 S C -1.541 173.064 174.600 0.008 0.000 1.149 75 S CA -0.107 58.090 58.200 -0.005 0.000 0.837 75 S CB 2.938 66.142 63.200 0.008 0.000 1.124 75 S HN -0.864 7.430 8.310 -0.027 0.000 0.465 81 I N 2.336 122.925 120.570 0.031 0.000 2.498 81 I HA 0.312 4.497 4.170 0.025 0.000 0.290 81 I C -0.890 175.244 176.117 0.029 0.000 1.032 81 I CA -0.532 60.787 61.300 0.031 0.000 1.073 81 I CB 2.730 40.755 38.000 0.042 0.000 1.251 81 I HN 0.288 8.521 8.210 0.037 0.000 0.426 82 T N 2.809 117.376 114.554 0.021 0.000 2.940 82 T HA 0.352 4.908 4.350 0.019 -0.195 0.288 82 T C -1.084 173.631 174.700 0.025 0.000 1.033 82 T CA -1.968 60.143 62.100 0.018 0.000 1.033 82 T CB 1.747 70.618 68.868 0.005 0.000 1.079 82 T HN 0.184 8.436 8.240 0.020 0.000 0.496 83 S N 1.416 117.133 115.700 0.028 0.000 2.537 83 S HA 0.314 4.799 4.470 0.026 0.000 0.270 83 S C -1.871 172.749 174.600 0.033 0.000 1.142 83 S CA -1.210 57.008 58.200 0.030 0.000 0.870 83 S CB 1.968 65.190 63.200 0.036 0.000 1.112 83 S HN 0.115 8.441 8.310 0.027 0.000 0.466 84 S N 3.863 119.581 115.700 0.031 0.000 2.661 84 S HA 0.204 4.704 4.470 0.051 0.000 0.265 84 S C -0.356 174.269 174.600 0.043 0.000 1.225 84 S CA 0.122 58.346 58.200 0.040 0.000 0.986 84 S CB 1.321 64.538 63.200 0.028 0.000 1.008 84 S HN 0.377 8.702 8.310 0.025 0.000 0.565 85 L N -0.738 120.517 121.223 0.054 0.000 2.322 85 L HA 0.284 4.768 4.340 0.028 -0.128 0.279 85 L C 0.194 177.081 176.870 0.028 0.000 1.036 85 L CA -0.464 54.400 54.840 0.040 0.000 0.807 85 L CB 1.142 43.231 42.059 0.050 0.000 1.226 85 L HN 0.546 8.817 8.230 0.068 0.000 0.433 86 S N 2.865 118.574 115.700 0.015 0.000 2.475 86 S HA 0.034 4.512 4.470 0.012 0.000 0.224 86 S C -0.216 174.387 174.600 0.005 0.000 1.042 86 S CA 0.919 59.125 58.200 0.010 0.000 0.935 86 S CB 1.038 64.241 63.200 0.006 0.000 0.801 86 S HN 0.665 8.982 8.310 0.011 0.000 0.509 87 S N -2.351 113.347 115.700 -0.003 0.000 2.587 87 S HA 0.173 4.788 4.470 -0.006 -0.149 0.269 87 S C -2.261 172.323 174.600 -0.028 0.000 1.154 87 S CA -0.346 57.847 58.200 -0.012 0.000 0.824 87 S CB 2.445 65.635 63.200 -0.017 0.000 1.118 87 S HN -0.752 7.555 8.310 -0.005 0.000 0.462 88 V N 0.115 120.007 119.914 -0.035 0.000 2.686 88 V HA 0.558 4.783 4.120 -0.060 -0.141 0.306 88 V C -0.811 175.254 176.094 -0.049 0.000 1.065 88 V CA -0.868 61.401 62.300 -0.053 0.000 0.894 88 V CB 3.000 34.784 31.823 -0.064 0.000 1.004 88 V HN 0.235 8.407 8.190 -0.029 0.000 0.424 89 R N 7.672 128.148 120.500 -0.039 0.000 2.483 89 R HA 0.318 4.626 4.340 -0.053 0.000 0.303 89 R C -1.926 174.425 176.300 0.085 0.000 0.987 89 R CA -1.828 54.254 56.100 -0.030 0.000 0.881 89 R CB 1.816 32.032 30.300 -0.141 0.000 1.177 89 R HN 0.675 8.927 8.270 -0.030 0.000 0.451 90 V N 6.404 126.324 119.914 0.010 0.000 2.863 90 V HA 0.006 4.213 4.120 -0.030 -0.105 0.307 90 V C -0.576 175.381 176.094 -0.228 0.000 1.061 90 V CA -0.686 61.576 62.300 -0.063 0.000 1.024 90 V CB 1.745 33.516 31.823 -0.088 0.000 1.049 90 V HN 0.292 8.470 8.190 -0.021 0.000 0.471 91 H N 5.779 124.451 119.070 -0.664 0.000 3.064 91 H HA -0.054 3.175 4.556 -2.211 0.000 0.329 91 H C -0.093 174.988 175.328 -0.412 0.000 1.020 91 H CA 0.535 55.903 56.048 -1.133 0.000 1.402 91 H CB 1.596 30.866 29.762 -0.820 0.000 1.379 91 H HN -0.122 7.944 8.280 -0.356 0.000 0.594 92 P HA -0.014 4.340 4.420 -0.111 0.000 0.225 92 P C -0.499 176.820 177.300 0.033 0.000 1.148 92 P CA 1.534 64.529 63.100 -0.174 0.000 0.779 92 P CB 0.297 31.896 31.700 -0.168 0.000 0.780 93 S N -2.245 113.622 115.700 0.278 0.000 2.575 93 S HA 0.108 4.639 4.470 0.102 0.000 0.237 93 S C -0.906 173.781 174.600 0.145 0.000 0.975 93 S CA -0.282 58.038 58.200 0.199 0.000 0.960 93 S CB 0.608 63.917 63.200 0.183 0.000 0.822 93 S HN -0.524 8.126 8.310 0.638 0.043 0.472 94 Y N 3.927 124.250 120.300 0.037 0.000 2.805 94 Y HA -0.295 4.414 4.550 -0.062 -0.196 0.331 94 Y C -0.445 175.434 175.900 -0.035 0.000 1.241 94 Y CA 1.546 59.627 58.100 -0.031 0.000 1.546 94 Y CB -0.040 38.402 38.460 -0.030 0.000 1.248 94 Y HN -0.604 7.691 8.280 0.300 0.165 0.559 95 S N 7.680 123.099 115.700 -0.469 0.000 2.592 95 S HA 0.141 4.302 4.470 -0.515 0.000 0.275 95 S C -1.338 172.991 174.600 -0.452 0.000 1.169 95 S CA -0.578 57.356 58.200 -0.443 0.000 0.958 95 S CB 2.469 65.540 63.200 -0.216 0.000 1.095 95 S HN 0.100 8.179 8.310 -0.385 0.000 0.471 100 N N 0.931 119.542 118.700 -0.148 0.000 2.529 100 N HA 0.034 4.769 4.740 -0.007 0.000 0.278 100 N C -1.097 174.432 175.510 0.032 0.000 1.146 100 N CA 0.450 53.469 53.050 -0.051 0.000 0.980 100 N CB 1.235 39.666 38.487 -0.094 0.000 1.124 100 N HN -0.378 7.757 8.380 -0.229 0.108 0.458 101 N N -1.440 117.257 118.700 -0.005 0.000 2.738 101 N HA -0.391 4.235 4.740 -0.191 0.000 0.249 101 N C -1.501 174.035 175.510 0.043 0.000 1.047 101 N CA 1.488 54.466 53.050 -0.120 0.000 0.707 101 N CB -1.006 37.285 38.487 -0.327 0.000 0.937 101 N HN 0.790 9.165 8.380 -0.009 0.000 0.545 102 D N -0.559 119.904 120.400 0.104 0.000 2.896 102 D HA 0.057 4.757 4.640 0.100 0.000 0.240 102 D C -1.748 174.550 176.300 -0.003 0.000 1.193 102 D CA -0.700 53.367 54.000 0.111 0.000 0.983 102 D CB -0.782 40.154 40.800 0.226 0.000 1.074 102 D HN 0.133 8.555 8.370 0.086 0.000 0.496 103 L N -0.235 120.959 121.223 -0.048 0.000 2.371 103 L HA 0.782 5.309 4.340 0.024 -0.173 0.262 103 L C -2.407 174.482 176.870 0.031 0.000 1.006 103 L CA -1.387 53.476 54.840 0.039 0.000 0.818 103 L CB 4.926 47.105 42.059 0.200 0.000 1.354 103 L HN -0.502 7.613 8.230 -0.074 0.070 0.415 104 A N -0.405 122.475 122.820 0.099 0.000 2.515 104 A HA 0.852 5.465 4.320 0.260 -0.137 0.298 104 A C -2.289 175.386 177.584 0.151 0.000 1.059 104 A CA -1.560 50.558 52.037 0.135 0.000 0.698 104 A CB 4.195 23.162 19.000 -0.056 0.000 1.289 104 A HN 0.743 8.940 8.150 0.078 0.000 0.404 105 I N 0.988 121.644 120.570 0.143 0.000 2.336 105 I HA 0.570 4.895 4.170 0.008 -0.150 0.292 105 I C -1.305 174.799 176.117 -0.022 0.000 0.991 105 I CA -2.170 59.136 61.300 0.010 0.000 1.227 105 I CB 1.104 39.045 38.000 -0.098 0.000 1.366 105 I HN 0.359 8.701 8.210 0.221 0.000 0.466 106 L N 7.178 128.382 121.223 -0.033 0.000 2.307 106 L HA 0.531 4.991 4.340 -0.053 -0.152 0.284 106 L C -0.584 176.268 176.870 -0.029 0.000 1.023 106 L CA -1.522 53.291 54.840 -0.045 0.000 0.810 106 L CB 1.724 43.748 42.059 -0.059 0.000 1.231 106 L HN 0.858 9.073 8.230 -0.024 0.000 0.423 107 K N 2.380 122.765 120.400 -0.026 0.000 2.159 107 K HA 0.657 5.162 4.320 -0.018 -0.196 0.266 107 K C -0.622 175.975 176.600 -0.005 0.000 0.975 107 K CA -2.501 53.776 56.287 -0.016 0.000 0.865 107 K CB 1.922 34.413 32.500 -0.014 0.000 1.087 107 K HN 0.176 8.409 8.250 -0.029 0.000 0.446 108 L N 3.692 124.916 121.223 0.001 0.000 2.307 108 L HA 0.256 4.738 4.340 0.016 -0.132 0.282 108 L C 0.057 176.934 176.870 0.013 0.000 1.051 108 L CA -0.496 54.352 54.840 0.013 0.000 0.804 108 L CB 0.634 42.706 42.059 0.022 0.000 1.197 108 L HN 0.144 8.372 8.230 -0.003 0.000 0.431 109 S N 1.506 117.217 115.700 0.017 0.000 2.423 109 S HA -0.098 4.380 4.470 0.012 0.000 0.231 109 S C 0.484 175.095 174.600 0.017 0.000 1.014 109 S CA 2.896 61.105 58.200 0.015 0.000 0.965 109 S CB 0.696 63.906 63.200 0.017 0.000 0.785 109 S HN 0.279 8.601 8.310 0.020 0.000 0.495 110 T N 4.079 118.646 114.554 0.022 0.000 2.840 110 T HA 0.127 4.491 4.350 0.023 0.000 0.287 110 T C -1.497 173.223 174.700 0.034 0.000 0.991 110 T CA -0.604 61.511 62.100 0.025 0.000 0.964 110 T CB 1.724 70.607 68.868 0.026 0.000 0.954 110 T HN -0.562 7.659 8.240 0.024 0.034 0.438 111 S N 5.906 121.627 115.700 0.034 0.000 2.572 111 S HA 0.035 4.706 4.470 0.044 -0.175 0.279 111 S C -0.300 174.342 174.600 0.069 0.000 1.341 111 S CA 1.046 59.273 58.200 0.046 0.000 1.043 111 S CB 0.821 64.045 63.200 0.040 0.000 0.887 111 S HN 0.276 8.603 8.310 0.029 0.000 0.516 112 I N 4.557 125.190 120.570 0.105 0.000 2.382 112 I HA 0.395 4.625 4.170 0.099 0.000 0.285 112 I C -1.915 174.319 176.117 0.195 0.000 1.007 112 I CA -3.185 58.194 61.300 0.132 0.000 1.142 112 I CB 1.855 39.942 38.000 0.145 0.000 1.289 112 I HN 0.355 8.516 8.210 0.109 0.114 0.453 113 P HA 0.394 4.935 4.420 0.202 0.000 0.277 113 P C -0.903 176.410 177.300 0.022 0.000 1.240 113 P CA -1.002 62.174 63.100 0.126 0.000 0.798 113 P CB 0.636 32.377 31.700 0.068 0.000 0.979 114 S N 1.164 116.798 115.700 -0.109 0.000 2.603 114 S HA -0.133 4.216 4.470 -0.345 -0.086 0.268 114 S C -0.039 174.481 174.600 -0.133 0.000 1.317 114 S CA 0.753 58.760 58.200 -0.321 0.000 1.012 114 S CB 0.981 63.788 63.200 -0.654 0.000 0.926 114 S HN -0.167 8.135 8.310 -0.012 0.000 0.539 115 G N 3.675 112.404 108.800 -0.120 0.000 2.316 115 G HA2 -0.191 3.733 3.960 -0.060 0.000 0.468 115 G HA3 -0.191 3.742 3.960 -0.044 0.000 0.468 115 G C -1.352 173.523 174.900 -0.042 0.000 1.523 115 G CA -0.711 44.352 45.100 -0.062 0.000 0.972 115 G HN 0.250 8.450 8.290 -0.151 0.000 0.667 116 G N 1.310 110.093 108.800 -0.028 0.000 2.583 116 G HA2 -0.357 3.594 3.960 -0.015 0.000 0.292 116 G HA3 -0.357 3.595 3.960 -0.012 0.000 0.292 116 G C -0.980 173.908 174.900 -0.020 0.000 1.203 116 G CA 0.215 45.305 45.100 -0.018 0.000 0.987 116 G HN 0.195 8.468 8.290 -0.027 0.000 0.554 117 N N 2.852 121.547 118.700 -0.009 0.000 2.362 117 N HA 0.088 4.820 4.740 -0.013 0.000 0.204 117 N C -1.272 174.240 175.510 0.003 0.000 1.166 117 N CA 0.149 53.196 53.050 -0.004 0.000 0.831 117 N CB -0.045 38.447 38.487 0.007 0.000 1.008 117 N HN 0.163 8.541 8.380 -0.004 0.000 0.472 118 I N -0.979 119.582 120.570 -0.015 0.000 2.404 118 I HA 0.395 4.782 4.170 0.017 -0.208 0.293 118 I C -1.196 174.861 176.117 -0.101 0.000 0.992 118 I CA -1.111 60.176 61.300 -0.022 0.000 1.149 118 I CB 2.763 40.754 38.000 -0.014 0.000 1.315 118 I HN -0.609 7.498 8.210 -0.026 0.088 0.446 119 G N 4.456 113.209 108.800 -0.079 0.000 2.788 119 G HA2 0.425 4.126 3.960 -0.432 0.000 0.293 119 G HA3 0.425 4.347 3.960 -0.065 0.000 0.293 119 G C -2.535 172.328 174.900 -0.063 0.000 1.392 119 G CA -0.889 44.094 45.100 -0.194 0.000 0.810 119 G HN -0.248 7.951 8.290 0.022 0.105 0.508 120 Y N -1.776 118.612 120.300 0.147 0.000 2.446 120 Y HA 0.452 5.251 4.550 0.145 -0.161 0.338 120 Y C -0.464 175.432 175.900 -0.007 0.000 1.055 120 Y CA -2.844 55.315 58.100 0.098 0.000 1.101 120 Y CB 2.622 41.104 38.460 0.037 0.000 1.221 120 Y HN 0.082 8.322 8.280 -0.068 0.000 0.460 121 A N 1.767 124.552 122.820 -0.060 0.000 2.450 121 A HA 0.059 3.866 4.320 -0.856 0.000 0.255 121 A C -0.422 177.019 177.584 -0.239 0.000 1.096 121 A CA -0.209 51.485 52.037 -0.572 0.000 0.778 121 A CB 1.034 19.504 19.000 -0.883 0.000 1.031 121 A HN 0.083 8.256 8.150 0.039 0.000 0.494 122 R N 3.305 123.660 120.500 -0.242 0.000 2.234 122 R HA 0.050 4.341 4.340 -0.082 0.000 0.324 122 R C -1.416 174.800 176.300 -0.140 0.000 1.054 122 R CA -0.788 55.241 56.100 -0.118 0.000 0.912 122 R CB 0.646 30.917 30.300 -0.049 0.000 1.030 122 R HN 0.270 8.358 8.270 -0.302 0.000 0.455 123 L N 5.936 127.102 121.223 -0.095 0.000 2.334 123 L HA 0.236 4.738 4.340 -0.088 -0.214 0.277 123 L C -0.527 176.318 176.870 -0.042 0.000 1.075 123 L CA -1.504 53.293 54.840 -0.071 0.000 0.804 123 L CB 1.910 43.938 42.059 -0.051 0.000 1.174 123 L HN 0.419 8.603 8.230 -0.076 0.000 0.438 124 A N 0.001 122.802 122.820 -0.030 0.000 2.555 124 A HA -0.173 4.127 4.320 -0.034 0.000 0.233 124 A C 0.264 177.835 177.584 -0.020 0.000 1.060 124 A CA 0.383 52.402 52.037 -0.029 0.000 0.759 124 A CB 0.475 19.452 19.000 -0.038 0.000 0.995 124 A HN 0.481 8.495 8.150 -0.027 0.119 0.506 125 A N 2.575 125.381 122.820 -0.023 0.000 2.520 125 A HA -0.095 4.217 4.320 -0.013 0.000 0.235 125 A C -0.590 176.990 177.584 -0.006 0.000 1.065 125 A CA -0.172 51.856 52.037 -0.015 0.000 0.764 125 A CB 0.404 19.393 19.000 -0.018 0.000 1.002 125 A HN 0.363 8.496 8.150 -0.029 0.000 0.502 126 S N 2.173 117.874 115.700 0.002 0.000 2.546 126 S HA -0.406 4.212 4.470 0.022 -0.135 0.290 126 S C 1.502 176.109 174.600 0.011 0.000 1.262 126 S CA 1.695 59.904 58.200 0.014 0.000 1.083 126 S CB -0.761 62.448 63.200 0.016 0.000 0.859 126 S HN 0.292 8.602 8.310 -0.001 0.000 0.495 127 G N 7.581 116.391 108.800 0.017 0.000 2.194 127 G HA2 -0.314 3.659 3.960 0.021 0.000 0.236 127 G HA3 -0.314 3.653 3.960 0.011 0.000 0.236 127 G C -0.051 174.847 174.900 -0.003 0.000 0.987 127 G CA 0.243 45.350 45.100 0.012 0.000 0.635 127 G HN 0.478 8.703 8.290 0.025 0.080 0.520 128 S N 1.841 117.531 115.700 -0.017 0.000 2.593 128 S HA -0.097 4.351 4.470 -0.038 0.000 0.269 128 S C -1.540 173.023 174.600 -0.063 0.000 1.334 128 S CA 0.721 58.896 58.200 -0.042 0.000 1.015 128 S CB 1.108 64.275 63.200 -0.056 0.000 0.912 128 S HN -0.438 7.799 8.310 -0.012 0.065 0.541 129 D N 0.664 121.009 120.400 -0.091 0.000 2.855 129 D HA 0.447 4.991 4.640 -0.160 0.000 0.241 129 D C -2.232 173.954 176.300 -0.190 0.000 1.277 129 D CA -2.504 51.419 54.000 -0.127 0.000 0.918 129 D CB 3.067 43.836 40.800 -0.052 0.000 1.462 129 D HN -0.321 7.999 8.370 -0.084 0.000 0.559 130 P HA -0.045 4.220 4.420 -0.257 0.000 0.264 130 P C -1.455 175.745 177.300 -0.167 0.000 1.193 130 P CA 0.002 62.909 63.100 -0.321 0.000 0.763 130 P CB 0.547 31.893 31.700 -0.589 0.000 0.810 131 V N 4.703 124.551 119.914 -0.109 0.000 2.572 131 V HA -0.208 3.882 4.120 -0.049 0.000 0.291 131 V C 0.169 176.240 176.094 -0.038 0.000 1.039 131 V CA -0.697 61.568 62.300 -0.059 0.000 1.055 131 V CB 0.245 32.041 31.823 -0.045 0.000 0.969 131 V HN -0.298 7.823 8.190 -0.114 0.000 0.482 132 A N 8.309 131.120 122.820 -0.015 0.000 2.567 132 A HA -0.409 4.071 4.320 0.011 -0.153 0.240 132 A C 1.054 178.636 177.584 -0.003 0.000 1.053 132 A CA 1.302 53.340 52.037 0.002 0.000 0.755 132 A CB -0.318 18.688 19.000 0.011 0.000 0.978 132 A HN 0.390 8.532 8.150 -0.013 0.000 0.507 133 G N 3.302 112.104 108.800 0.002 0.000 2.212 133 G HA2 -0.466 3.496 3.960 0.003 0.000 0.266 133 G HA3 -0.466 3.493 3.960 -0.002 0.000 0.266 133 G C -0.167 174.728 174.900 -0.009 0.000 0.978 133 G CA -0.004 45.095 45.100 -0.001 0.000 0.632 133 G HN 0.755 8.944 8.290 0.010 0.107 0.537 134 S N 1.449 117.137 115.700 -0.019 0.000 2.593 134 S HA -0.008 4.449 4.470 -0.021 0.000 0.269 134 S C -0.488 174.098 174.600 -0.022 0.000 1.334 134 S CA 0.345 58.529 58.200 -0.027 0.000 1.015 134 S CB 1.403 64.576 63.200 -0.045 0.000 0.912 134 S HN 0.244 8.257 8.310 -0.023 0.283 0.541 135 S N 2.638 118.327 115.700 -0.019 0.000 2.499 135 S HA 0.060 4.527 4.470 -0.007 0.000 0.279 135 S C -1.550 173.042 174.600 -0.014 0.000 1.219 135 S CA 0.801 58.995 58.200 -0.011 0.000 1.062 135 S CB 1.034 64.232 63.200 -0.003 0.000 0.978 135 S HN 0.265 8.564 8.310 -0.020 0.000 0.489 136 A N 3.612 126.425 122.820 -0.012 0.000 2.423 136 A HA 0.692 5.275 4.320 -0.008 -0.268 0.304 136 A C -1.975 175.609 177.584 -0.001 0.000 1.104 136 A CA -1.802 50.225 52.037 -0.016 0.000 0.757 136 A CB 3.907 22.880 19.000 -0.044 0.000 1.313 136 A HN 0.617 8.762 8.150 -0.009 0.000 0.423 137 T N 3.231 117.799 114.554 0.023 0.000 2.841 137 T HA 0.744 5.293 4.350 0.028 -0.182 0.285 137 T C -0.961 173.733 174.700 -0.009 0.000 0.991 137 T CA -0.635 61.493 62.100 0.048 0.000 0.966 137 T CB 2.066 71.023 68.868 0.148 0.000 0.962 137 T HN 0.869 9.006 8.240 0.032 0.122 0.438 138 V N 6.027 125.906 119.914 -0.059 0.000 2.715 138 V HA 0.879 5.095 4.120 -0.148 -0.184 0.310 138 V C -2.347 173.614 176.094 -0.221 0.000 1.054 138 V CA -2.634 59.595 62.300 -0.118 0.000 0.928 138 V CB 3.262 35.075 31.823 -0.017 0.000 1.007 138 V HN 0.575 8.746 8.190 -0.032 0.000 0.437 139 A N 2.138 124.740 122.820 -0.364 0.000 2.539 139 A HA 1.026 5.271 4.320 -0.363 -0.143 0.296 139 A C -2.038 175.316 177.584 -0.383 0.000 1.073 139 A CA -1.732 50.010 52.037 -0.493 0.000 0.700 139 A CB 4.027 22.400 19.000 -1.045 0.000 1.296 139 A HN -0.162 7.797 8.150 -0.318 0.000 0.405 140 G N -1.274 107.275 108.800 -0.417 0.000 2.320 140 G HA2 0.233 3.955 3.960 -0.396 0.000 0.296 140 G HA3 0.233 4.273 3.960 -0.107 -0.144 0.296 140 G C -1.940 172.747 174.900 -0.354 0.000 1.306 140 G CA 0.570 45.478 45.100 -0.320 0.000 0.836 140 G HN -0.006 8.021 8.290 -0.439 0.000 0.517 141 W N 0.149 121.438 121.300 -0.019 0.000 2.966 141 W HA 0.347 5.009 4.660 0.003 0.000 0.406 141 W C -1.062 175.457 176.519 -0.000 0.000 1.027 141 W CA -0.863 56.482 57.345 -0.000 0.000 1.930 141 W CB 1.143 30.611 29.460 0.013 0.000 1.144 141 W HN 0.489 8.910 8.180 0.402 0.000 0.626 142 G N -1.532 107.361 108.800 0.155 0.000 2.621 142 G HA2 0.041 4.082 3.960 0.101 0.000 0.271 142 G HA3 0.041 4.145 3.960 0.057 -0.110 0.271 142 G C -0.860 174.078 174.900 0.064 0.000 1.236 142 G CA -1.102 44.052 45.100 0.090 0.000 0.958 142 G HN -0.494 8.115 8.290 0.111 -0.252 0.512 143 A N 1.195 124.041 122.820 0.043 0.000 2.520 143 A HA -0.106 4.240 4.320 0.043 0.000 0.235 143 A C 0.284 177.882 177.584 0.024 0.000 1.065 143 A CA 0.833 52.890 52.037 0.035 0.000 0.764 143 A CB 0.838 19.852 19.000 0.024 0.000 1.002 143 A HN -0.246 7.925 8.150 0.036 0.000 0.502 144 T N -2.751 111.817 114.554 0.023 0.000 3.060 144 T HA 0.113 4.732 4.350 0.011 -0.262 0.249 144 T C 0.049 174.757 174.700 0.013 0.000 1.079 144 T CA 0.118 62.228 62.100 0.016 0.000 1.013 144 T CB 1.229 70.108 68.868 0.017 0.000 0.975 144 T HN 0.285 8.542 8.240 0.028 0.000 0.518 145 S N 0.465 116.173 115.700 0.015 0.000 2.536 145 S HA 0.250 4.726 4.470 0.011 0.000 0.287 145 S C -1.107 173.499 174.600 0.010 0.000 1.101 145 S CA -1.234 56.973 58.200 0.012 0.000 0.950 145 S CB 2.665 65.872 63.200 0.013 0.000 1.056 145 S HN -0.390 7.875 8.310 0.017 0.056 0.481 146 E N 4.576 124.781 120.200 0.008 0.000 2.529 146 E HA -0.344 4.007 4.350 0.002 0.000 0.259 146 E C 0.950 177.553 176.600 0.005 0.000 0.966 146 E CA 1.733 58.135 56.400 0.004 0.000 0.937 146 E CB 0.215 29.916 29.700 0.002 0.000 0.923 146 E HN 0.541 8.906 8.360 0.008 0.000 0.468 147 G N 4.334 113.137 108.800 0.004 0.000 2.153 147 G HA2 -0.387 3.577 3.960 0.007 0.000 0.252 147 G HA3 -0.387 3.576 3.960 0.006 0.000 0.252 147 G C -0.469 174.438 174.900 0.012 0.000 0.994 147 G CA -0.058 45.046 45.100 0.007 0.000 0.698 147 G HN 0.507 8.845 8.290 0.002 -0.047 0.521 148 G N -1.348 107.461 108.800 0.015 0.000 2.503 148 G HA2 0.088 4.059 3.960 0.018 0.000 0.257 148 G HA3 0.088 4.061 3.960 0.021 0.000 0.257 148 G C -0.739 174.176 174.900 0.024 0.000 1.214 148 G CA -1.181 43.931 45.100 0.019 0.000 0.839 148 G HN -0.227 7.969 8.290 0.014 0.103 0.559 149 S N -1.756 113.959 115.700 0.024 0.000 2.558 149 S HA -0.090 4.397 4.470 0.027 0.000 0.217 149 S C -0.606 174.013 174.600 0.031 0.000 0.975 149 S CA 0.983 59.199 58.200 0.026 0.000 0.912 149 S CB 0.294 63.507 63.200 0.022 0.000 0.776 149 S HN 0.258 8.582 8.310 0.023 0.000 0.526 150 S N 0.164 115.885 115.700 0.035 0.000 2.550 150 S HA 0.104 4.601 4.470 0.044 0.000 0.270 150 S C -2.407 172.223 174.600 0.050 0.000 1.145 150 S CA -0.184 58.041 58.200 0.042 0.000 0.852 150 S CB 2.181 65.404 63.200 0.038 0.000 1.119 150 S HN -0.602 7.627 8.310 0.033 0.102 0.465 151 T N 2.606 117.198 114.554 0.064 0.000 2.856 151 T HA 0.297 4.692 4.350 0.075 0.000 0.283 151 T C -1.635 173.127 174.700 0.103 0.000 1.008 151 T CA -2.947 59.204 62.100 0.084 0.000 0.997 151 T CB 0.758 69.679 68.868 0.088 0.000 0.992 151 T HN 0.051 8.328 8.240 0.062 0.000 0.454 152 P HA 0.167 4.649 4.420 0.104 0.000 0.271 152 P C -0.126 177.305 177.300 0.218 0.000 1.218 152 P CA -0.207 62.975 63.100 0.136 0.000 0.780 152 P CB 0.907 32.673 31.700 0.109 0.000 0.901 153 V N 1.106 121.128 119.914 0.180 0.000 2.453 153 V HA -0.345 3.885 4.120 0.183 0.000 0.247 153 V C -0.355 175.955 176.094 0.359 0.000 1.048 153 V CA 3.244 65.667 62.300 0.205 0.000 1.049 153 V CB 0.235 32.129 31.823 0.118 0.000 0.672 153 V HN 0.322 8.593 8.190 0.135 0.000 0.457 154 N N -3.476 115.388 118.700 0.273 0.000 2.456 154 N HA 0.279 5.462 4.740 0.369 -0.222 0.296 154 N C -0.107 175.417 175.510 0.023 0.000 1.102 154 N CA -1.337 51.858 53.050 0.241 0.000 0.924 154 N CB 0.950 39.513 38.487 0.126 0.000 1.186 154 N HN -0.603 7.893 8.380 0.193 0.000 0.492 155 L N 2.768 123.863 121.223 -0.214 0.000 2.490 155 L HA -0.123 3.379 4.340 -1.396 0.000 0.274 155 L C -1.255 175.400 176.870 -0.358 0.000 1.201 155 L CA 0.791 55.173 54.840 -0.763 0.000 0.869 155 L CB 0.700 42.336 42.059 -0.706 0.000 1.123 155 L HN -0.091 8.146 8.230 0.012 0.000 0.484 156 L N 4.777 125.778 121.223 -0.371 0.000 2.303 156 L HA 0.780 5.190 4.340 -0.122 -0.143 0.266 156 L C -1.401 175.363 176.870 -0.176 0.000 1.011 156 L CA -1.576 53.154 54.840 -0.182 0.000 0.818 156 L CB 3.136 45.122 42.059 -0.122 0.000 1.326 156 L HN 0.073 7.996 8.230 -0.512 0.000 0.435 157 K N -2.457 117.903 120.400 -0.068 0.000 2.512 157 K HA 0.992 5.420 4.320 -0.106 -0.172 0.263 157 K C -2.373 174.225 176.600 -0.004 0.000 0.966 157 K CA -1.614 54.655 56.287 -0.031 0.000 0.851 157 K CB 4.505 37.091 32.500 0.142 0.000 1.395 157 K HN 0.625 8.848 8.250 -0.044 0.000 0.440 158 V N 0.283 120.198 119.914 0.001 0.000 3.012 158 V HA 0.357 4.487 4.120 0.016 0.000 0.307 158 V C -2.595 173.512 176.094 0.020 0.000 1.166 158 V CA -1.891 60.415 62.300 0.012 0.000 0.974 158 V CB 4.069 35.896 31.823 0.006 0.000 1.040 158 V HN 0.466 8.649 8.190 -0.012 0.000 0.428 159 T N 8.810 123.378 114.554 0.022 0.000 2.794 159 T HA 0.772 5.324 4.350 0.021 -0.189 0.280 159 T C -0.894 173.816 174.700 0.015 0.000 0.987 159 T CA -0.290 61.823 62.100 0.020 0.000 0.993 159 T CB 0.971 69.853 68.868 0.023 0.000 0.939 159 T HN 0.202 8.454 8.240 0.020 0.000 0.449 160 V N -0.195 119.726 119.914 0.011 0.000 3.007 160 V HA 0.799 4.930 4.120 0.018 0.000 0.311 160 V C -2.834 173.267 176.094 0.012 0.000 1.120 160 V CA -4.638 57.671 62.300 0.016 0.000 0.980 160 V CB 2.507 34.348 31.823 0.030 0.000 1.033 160 V HN 0.533 8.725 8.190 0.004 0.000 0.429 161 P HA 0.462 5.070 4.420 0.007 -0.184 0.281 161 P C -0.587 176.733 177.300 0.033 0.000 1.249 161 P CA -1.632 61.478 63.100 0.016 0.000 0.810 161 P CB 0.956 32.665 31.700 0.014 0.000 1.008 162 I N 0.765 121.353 120.570 0.029 0.000 2.710 162 I HA -0.107 4.272 4.170 0.113 -0.141 0.286 162 I C 0.421 176.577 176.117 0.064 0.000 1.181 162 I CA -0.656 60.683 61.300 0.064 0.000 1.430 162 I CB -1.026 36.984 38.000 0.016 0.000 1.367 162 I HN 0.144 8.359 8.210 0.009 0.000 0.577 163 V N 7.560 127.532 119.914 0.096 0.000 2.435 163 V HA 0.196 4.347 4.120 0.053 0.000 0.290 163 V C -1.212 174.931 176.094 0.082 0.000 1.030 163 V CA -1.478 60.867 62.300 0.075 0.000 0.881 163 V CB 1.333 33.200 31.823 0.074 0.000 0.983 163 V HN 0.018 8.178 8.190 0.136 0.111 0.445 164 S N 5.519 121.253 115.700 0.056 0.000 2.563 164 S HA -0.084 4.420 4.470 0.057 0.000 0.284 164 S C 0.899 175.542 174.600 0.071 0.000 1.331 164 S CA -0.291 57.942 58.200 0.055 0.000 1.047 164 S CB 1.481 64.702 63.200 0.035 0.000 0.859 164 S HN 0.263 8.599 8.310 0.043 0.000 0.514 165 R N 4.509 125.055 120.500 0.077 0.000 2.105 165 R HA -0.427 3.970 4.340 0.096 0.000 0.239 165 R C 1.497 177.840 176.300 0.071 0.000 1.135 165 R CA 4.309 60.460 56.100 0.084 0.000 0.967 165 R CB -0.279 30.073 30.300 0.087 0.000 0.861 165 R HN 0.695 9.009 8.270 0.072 0.000 0.442 166 A N -2.603 120.249 122.820 0.054 0.000 1.877 166 A HA -0.189 4.160 4.320 0.048 0.000 0.216 166 A C 2.174 179.783 177.584 0.042 0.000 1.186 166 A CA 3.056 55.120 52.037 0.045 0.000 0.620 166 A CB -0.905 18.114 19.000 0.031 0.000 0.822 166 A HN 0.175 8.341 8.150 0.050 0.013 0.443 167 T N 1.225 115.800 114.554 0.036 0.000 2.746 167 T HA -0.439 3.916 4.350 0.009 0.000 0.267 167 T C 1.871 176.594 174.700 0.038 0.000 1.039 167 T CA 4.877 66.990 62.100 0.022 0.000 1.142 167 T CB -0.054 68.822 68.868 0.013 0.000 0.866 167 T HN -0.506 7.755 8.240 0.036 0.000 0.444 168 C N 1.155 120.501 119.300 0.076 0.000 2.425 168 C HA -0.254 4.296 4.460 0.150 0.000 0.277 168 C C 2.373 177.477 174.990 0.190 0.000 1.280 168 C CA 3.239 62.342 59.018 0.141 0.000 1.744 168 C CB -1.910 25.904 27.740 0.124 0.000 1.989 168 C HN -0.035 8.238 8.230 0.073 0.000 0.491 169 R N -0.483 120.098 120.500 0.134 0.000 2.115 169 R HA -0.251 4.331 4.340 0.183 -0.133 0.230 169 R C 2.324 178.684 176.300 0.099 0.000 1.111 169 R CA 2.778 58.959 56.100 0.135 0.000 0.976 169 R CB -0.175 30.183 30.300 0.097 0.000 0.870 169 R HN 0.020 8.354 8.270 0.107 0.000 0.445 170 A N -2.670 120.180 122.820 0.051 0.000 1.969 170 A HA -0.244 4.087 4.320 0.018 0.000 0.218 170 A C 1.927 179.491 177.584 -0.033 0.000 1.169 170 A CA 2.449 54.491 52.037 0.009 0.000 0.635 170 A CB -0.627 18.366 19.000 -0.012 0.000 0.810 170 A HN -0.505 7.585 8.150 0.049 0.090 0.445 171 Q N -2.249 117.513 119.800 -0.064 0.000 2.049 171 Q HA -0.272 3.867 4.340 -0.335 0.000 0.198 171 Q C 1.383 177.265 176.000 -0.197 0.000 0.971 171 Q CA 2.769 58.416 55.803 -0.261 0.000 0.833 171 Q CB 0.685 29.179 28.738 -0.405 0.000 0.896 171 Q HN -0.584 7.566 8.270 -0.013 0.112 0.434 172 Y N -4.801 115.560 120.300 0.101 0.000 2.506 172 Y HA 0.052 4.752 4.550 0.249 0.000 0.287 172 Y C 2.543 178.536 175.900 0.154 0.000 1.147 172 Y CA 1.369 59.583 58.100 0.190 0.000 1.241 172 Y CB 0.602 39.204 38.460 0.237 0.000 1.279 172 Y HN -0.280 8.144 8.280 0.240 0.000 0.527 173 T N 0.346 114.958 114.554 0.096 0.000 2.708 173 T HA -0.231 4.170 4.350 0.085 0.000 0.266 173 T C 2.061 176.808 174.700 0.079 0.000 1.037 173 T CA 2.534 64.682 62.100 0.080 0.000 1.146 173 T CB -0.367 68.534 68.868 0.055 0.000 0.865 173 T HN 0.175 8.464 8.240 0.082 0.000 0.435 174 S N 1.218 116.959 115.700 0.068 0.000 2.453 174 S HA -0.106 4.390 4.470 0.043 0.000 0.231 174 S C 0.054 174.691 174.600 0.061 0.000 1.005 174 S CA 1.714 59.944 58.200 0.050 0.000 0.949 174 S CB -0.524 62.692 63.200 0.027 0.000 0.774 174 S HN 0.313 8.662 8.310 0.065 0.000 0.510 175 A N 0.667 123.550 122.820 0.105 0.000 2.015 175 A HA -0.123 4.226 4.320 0.048 0.000 0.219 175 A C -0.351 177.356 177.584 0.206 0.000 1.163 175 A CA 1.448 53.566 52.037 0.135 0.000 0.646 175 A CB 0.447 19.600 19.000 0.255 0.000 0.806 175 A HN -0.420 7.757 8.150 0.122 0.045 0.448 176 I N -1.434 119.246 120.570 0.183 0.000 2.328 176 I HA 0.292 4.589 4.170 0.211 0.000 0.287 176 I C -0.647 175.538 176.117 0.113 0.000 1.012 176 I CA -2.905 58.493 61.300 0.164 0.000 1.195 176 I CB -0.986 37.090 38.000 0.126 0.000 1.350 176 I HN -0.751 7.525 8.210 0.162 0.031 0.464 177 T N 4.846 119.463 114.554 0.104 0.000 2.884 177 T HA 0.353 4.740 4.350 0.063 0.000 0.277 177 T C 0.979 175.725 174.700 0.077 0.000 0.976 177 T CA -2.072 60.071 62.100 0.072 0.000 0.956 177 T CB 1.776 70.672 68.868 0.046 0.000 1.113 177 T HN -0.419 7.896 8.240 0.126 0.000 0.554 178 N N -2.249 116.488 118.700 0.062 0.000 2.571 178 N HA -0.137 4.650 4.740 0.078 0.000 0.189 178 N C -0.165 175.392 175.510 0.078 0.000 1.154 178 N CA 1.397 54.488 53.050 0.068 0.000 0.907 178 N CB -0.690 37.828 38.487 0.053 0.000 0.977 178 N HN 0.454 8.864 8.380 0.050 0.000 0.449 179 Q N -3.707 116.134 119.800 0.069 0.000 2.220 179 Q HA 0.198 4.589 4.340 0.086 0.000 0.205 179 Q C -1.227 174.839 176.000 0.109 0.000 0.865 179 Q CA -0.618 55.227 55.803 0.070 0.000 0.960 179 Q CB 0.130 28.868 28.738 -0.000 0.000 1.097 179 Q HN -0.669 7.568 8.270 0.059 0.069 0.493 180 M N -0.922 118.754 119.600 0.127 0.000 2.602 180 M HA 0.861 5.583 4.480 0.076 -0.196 0.312 180 M C -1.614 174.796 176.300 0.183 0.000 1.181 180 M CA -0.827 54.537 55.300 0.107 0.000 0.910 180 M CB 4.810 37.464 32.600 0.089 0.000 1.723 180 M HN -0.620 7.668 8.290 0.121 0.075 0.459 181 F N -2.570 117.426 119.950 0.077 0.000 2.650 181 F HA 0.603 5.157 4.527 0.045 0.000 0.320 181 F C -2.996 172.861 175.800 0.095 0.000 1.091 181 F CA -1.867 56.172 58.000 0.065 0.000 0.962 181 F CB 2.519 41.549 39.000 0.050 0.000 1.363 181 F HN 0.343 8.505 8.300 -0.230 0.000 0.482 182 C N -1.607 117.832 119.300 0.231 0.000 2.614 182 C HA 1.049 5.713 4.460 0.037 -0.181 0.320 182 C C -1.129 174.007 174.990 0.243 0.000 1.200 182 C CA -1.746 57.350 59.018 0.129 0.000 1.700 182 C CB 3.553 31.334 27.740 0.068 0.000 2.275 182 C HN 0.537 8.992 8.230 0.375 0.000 0.492 183 A N 1.378 124.329 122.820 0.218 0.000 2.513 183 A HA 0.679 5.215 4.320 0.135 -0.135 0.296 183 A C -2.843 174.829 177.584 0.147 0.000 1.052 183 A CA -0.399 51.736 52.037 0.164 0.000 0.714 183 A CB 3.502 22.546 19.000 0.074 0.000 1.279 183 A HN 0.743 9.028 8.150 0.224 0.000 0.397 184 V N 1.133 121.067 119.914 0.033 0.000 2.472 184 V HA 0.417 4.547 4.120 0.017 0.000 0.290 184 V C 0.317 176.417 176.094 0.009 0.000 1.037 184 V CA -2.903 59.409 62.300 0.019 0.000 0.908 184 V CB 3.341 35.174 31.823 0.017 0.000 0.985 184 V HN 0.179 8.391 8.190 0.037 0.000 0.454 185 S N 8.132 123.830 115.700 -0.002 0.000 2.382 185 S HA -0.154 4.300 4.470 -0.027 0.000 0.228 185 S C 0.848 175.436 174.600 -0.019 0.000 1.027 185 S CA 3.217 61.406 58.200 -0.020 0.000 0.991 185 S CB -0.057 63.128 63.200 -0.025 0.000 0.823 185 S HN 0.593 8.903 8.310 -0.001 0.000 0.469 186 S N -2.201 113.494 115.700 -0.008 0.000 2.607 186 S HA -0.060 4.405 4.470 -0.008 0.000 0.224 186 S C 0.037 174.641 174.600 0.006 0.000 0.969 186 S CA 0.107 58.305 58.200 -0.004 0.000 0.927 186 S CB -0.052 63.147 63.200 -0.002 0.000 0.772 186 S HN -0.358 7.933 8.310 -0.005 0.016 0.533 187 G N 1.572 110.379 108.800 0.013 0.000 3.153 187 G HA2 -0.338 3.640 3.960 0.030 0.000 0.686 187 G HA3 -0.338 3.712 3.960 0.026 -0.074 0.686 187 G C -1.123 173.789 174.900 0.021 0.000 0.995 187 G CA -0.076 45.038 45.100 0.023 0.000 0.783 187 G HN -0.443 7.660 8.290 0.010 0.194 0.551 188 K N 0.754 121.169 120.400 0.024 0.000 6.265 188 K HA -0.525 4.032 4.320 0.021 -0.225 0.828 188 K C -1.744 174.878 176.600 0.037 0.000 2.300 188 K CA 0.504 56.806 56.287 0.025 0.000 1.674 188 K CB -0.183 32.331 32.500 0.023 0.000 2.471 188 K HN 0.036 8.302 8.250 0.027 0.000 0.229 189 D N 1.254 121.676 120.400 0.036 0.000 2.755 189 D HA 0.283 4.970 4.640 0.078 0.000 0.277 189 D C -1.829 174.495 176.300 0.041 0.000 1.261 189 D CA -0.518 53.513 54.000 0.052 0.000 0.759 189 D CB 4.001 44.823 40.800 0.037 0.000 1.279 189 D HN -0.109 8.278 8.370 0.027 0.000 0.420 190 S N -0.970 114.764 115.700 0.056 0.000 2.603 190 S HA 0.105 4.686 4.470 0.018 -0.100 0.268 190 S C -1.220 173.371 174.600 -0.014 0.000 1.317 190 S CA 0.451 58.664 58.200 0.022 0.000 1.012 190 S CB 0.969 64.196 63.200 0.045 0.000 0.926 190 S HN 0.210 8.577 8.310 0.095 0.000 0.539 191 C N 0.091 119.382 119.300 -0.015 0.000 3.259 191 C HA 0.387 4.835 4.460 -0.021 0.000 0.328 191 C C -1.058 173.919 174.990 -0.021 0.000 1.425 191 C CA -1.139 57.869 59.018 -0.016 0.000 1.465 191 C CB 3.433 31.172 27.740 -0.002 0.000 1.890 191 C HN 0.308 8.836 8.230 -0.009 -0.303 0.450 192 Q N 1.740 121.526 119.800 -0.023 0.000 2.283 192 Q HA -0.160 4.148 4.340 -0.053 0.000 0.301 192 Q C 1.431 177.412 176.000 -0.032 0.000 1.063 192 Q CA 2.024 57.804 55.803 -0.039 0.000 0.952 192 Q CB 0.119 28.835 28.738 -0.035 0.000 1.166 192 Q HN 0.764 9.022 8.270 -0.020 0.000 0.381 193 G N 5.314 114.073 108.800 -0.067 0.000 2.217 193 G HA2 -0.442 3.636 3.960 -0.115 0.000 0.246 193 G HA3 -0.442 3.521 3.960 0.006 0.000 0.246 193 G C 0.612 175.521 174.900 0.015 0.000 0.990 193 G CA 0.938 46.011 45.100 -0.044 0.000 0.627 193 G HN 0.702 8.927 8.290 -0.108 0.000 0.522 194 D N 1.524 121.931 120.400 0.011 0.000 2.348 194 D HA 0.018 4.701 4.640 0.072 0.000 0.211 194 D C 0.055 176.364 176.300 0.014 0.000 0.998 194 D CA 1.360 55.379 54.000 0.031 0.000 0.873 194 D CB 0.199 41.005 40.800 0.011 0.000 0.925 194 D HN 0.238 8.520 8.370 -0.006 0.085 0.524 195 S N -1.023 114.663 115.700 -0.022 0.000 2.558 195 S HA -0.300 4.298 4.470 0.014 -0.120 0.291 195 S C 1.207 175.769 174.600 -0.063 0.000 1.306 195 S CA 2.628 60.813 58.200 -0.025 0.000 1.056 195 S CB -0.175 63.015 63.200 -0.018 0.000 0.836 195 S HN -0.219 8.019 8.310 -0.038 0.050 0.504 196 G N 4.670 113.444 108.800 -0.042 0.000 2.253 196 G HA2 -0.448 3.559 3.960 -0.027 0.000 0.251 196 G HA3 -0.448 3.578 3.960 -0.059 -0.101 0.251 196 G C -0.127 174.806 174.900 0.055 0.000 0.998 196 G CA 0.494 45.579 45.100 -0.024 0.000 0.621 196 G HN 0.606 8.780 8.290 -0.014 0.108 0.524 197 G N 0.943 109.785 108.800 0.069 0.000 2.616 197 G HA2 0.332 4.425 3.960 0.113 0.000 0.268 197 G HA3 0.332 4.333 3.960 0.068 0.000 0.268 197 G C -2.671 172.285 174.900 0.093 0.000 1.213 197 G CA -1.992 43.160 45.100 0.087 0.000 0.926 197 G HN -0.470 7.756 8.290 0.053 0.096 0.523 198 P HA 0.291 4.968 4.420 0.185 -0.146 0.282 198 P C -1.987 175.336 177.300 0.039 0.000 1.249 198 P CA -1.019 62.157 63.100 0.126 0.000 0.806 198 P CB 1.731 33.578 31.700 0.244 0.000 0.984 199 I N 2.232 122.858 120.570 0.092 0.000 2.436 199 I HA 0.779 5.131 4.170 -0.028 -0.198 0.289 199 I C -1.602 174.571 176.117 0.094 0.000 1.010 199 I CA -2.499 58.810 61.300 0.015 0.000 1.098 199 I CB 3.167 41.060 38.000 -0.178 0.000 1.266 199 I HN -0.228 8.070 8.210 0.146 0.000 0.434 200 V N 6.573 126.540 119.914 0.087 0.000 4.876 200 V HA 1.073 5.587 4.120 0.129 -0.317 0.280 200 V C 0.110 176.245 176.094 0.067 0.000 1.427 200 V CA -3.370 59.011 62.300 0.134 0.000 0.805 200 V CB 1.967 33.952 31.823 0.269 0.000 1.337 200 V HN 1.170 9.279 8.190 0.051 0.112 0.439 201 S N -0.398 115.312 115.700 0.016 0.000 2.528 201 S HA -0.036 4.452 4.470 0.029 0.000 0.219 201 S C 1.252 175.865 174.600 0.021 0.000 0.985 201 S CA 2.768 60.979 58.200 0.019 0.000 0.914 201 S CB 0.038 63.240 63.200 0.004 0.000 0.776 201 S HN 0.072 8.382 8.310 0.001 0.000 0.526 202 S N 2.641 118.355 115.700 0.023 0.000 2.575 202 S HA -0.055 4.424 4.470 0.015 0.000 0.215 202 S C -0.564 174.067 174.600 0.050 0.000 0.966 202 S CA 0.661 58.876 58.200 0.024 0.000 0.911 202 S CB 0.004 63.212 63.200 0.014 0.000 0.780 202 S HN -0.410 7.912 8.310 0.020 0.000 0.514 203 N N -3.793 114.960 118.700 0.089 0.000 2.878 203 N HA -0.385 4.492 4.740 0.230 0.000 0.247 203 N C -1.504 174.118 175.510 0.186 0.000 1.021 203 N CA 2.081 55.236 53.050 0.174 0.000 0.873 203 N CB -1.633 36.941 38.487 0.146 0.000 1.128 203 N HN 0.844 9.131 8.380 0.084 0.143 0.571 210 I N -0.125 120.488 120.570 0.072 0.000 3.526 210 I HA 0.444 4.618 4.170 0.007 0.000 0.294 210 I C -1.065 175.199 176.117 0.244 0.000 1.229 210 I CA -0.210 61.120 61.300 0.050 0.000 1.408 210 I CB 1.694 39.631 38.000 -0.104 0.000 1.127 210 I HN 0.909 9.070 8.210 0.101 0.110 0.439 211 G N -2.588 106.394 108.800 0.303 0.000 2.550 211 G HA2 0.322 4.619 3.960 0.353 0.000 0.293 211 G HA3 0.322 4.586 3.960 0.508 0.001 0.293 211 G C -3.311 171.739 174.900 0.249 0.000 1.402 211 G CA 0.044 45.367 45.100 0.373 0.000 0.784 211 G HN -0.682 7.744 8.290 0.228 0.000 0.482 212 A N -1.927 121.029 122.820 0.226 0.000 2.365 212 A HA 1.006 5.649 4.320 0.193 -0.207 0.318 212 A C -1.010 176.695 177.584 0.201 0.000 1.091 212 A CA -2.715 49.436 52.037 0.189 0.000 0.763 212 A CB 3.607 22.681 19.000 0.124 0.000 1.248 212 A HN -0.073 8.206 8.150 0.215 0.000 0.442 213 V N 0.762 120.783 119.914 0.179 0.000 2.557 213 V HA -0.267 3.733 4.120 -0.200 0.000 0.301 213 V C -0.401 175.663 176.094 -0.050 0.000 1.026 213 V CA 2.058 64.351 62.300 -0.012 0.000 1.137 213 V CB -1.246 30.590 31.823 0.022 0.000 0.917 213 V HN 0.084 8.381 8.190 0.178 0.000 0.484 214 S N 6.912 122.497 115.700 -0.193 0.000 3.526 214 S HA 0.256 4.873 4.470 0.244 0.000 0.222 214 S C -1.040 173.629 174.600 0.114 0.000 1.001 214 S CA 0.494 58.738 58.200 0.073 0.000 0.831 214 S CB 2.743 66.007 63.200 0.106 0.000 0.941 214 S HN 0.017 8.037 8.310 -0.484 0.000 0.585 215 W N -4.163 116.955 121.300 -0.303 0.000 2.937 215 W HA 0.206 4.711 4.660 -0.258 0.000 0.360 215 W C -2.913 173.435 176.519 -0.286 0.000 1.215 215 W CA -0.583 56.592 57.345 -0.283 0.000 1.183 215 W CB 0.618 29.911 29.460 -0.279 0.000 1.458 215 W HN -0.148 7.772 8.180 -0.433 0.000 0.574 216 G N -2.885 105.887 108.800 -0.045 0.000 2.356 216 G HA2 -0.074 3.563 3.960 -0.537 0.000 0.294 216 G HA3 -0.074 3.764 3.960 -0.202 0.000 0.294 216 G C -2.537 172.455 174.900 0.154 0.000 1.423 216 G CA 0.289 45.283 45.100 -0.176 0.000 0.806 216 G HN -0.013 8.411 8.290 0.223 0.000 0.527 220 C N 3.947 123.245 119.300 -0.004 0.000 3.206 220 C HA 0.295 4.876 4.460 0.000 -0.121 0.206 220 C C -1.896 173.105 174.990 0.019 0.000 1.836 220 C CA -0.392 58.628 59.018 0.004 0.000 1.382 220 C CB -1.696 26.043 27.740 -0.002 0.000 2.405 220 C HN 0.160 8.855 8.230 -0.005 -0.468 0.516 221 R N -0.269 120.272 120.500 0.069 0.000 3.466 221 R HA 0.232 4.613 4.340 0.068 0.000 0.262 221 R C -3.076 173.283 176.300 0.099 0.000 0.997 221 R CA -1.233 54.923 56.100 0.094 0.000 0.978 221 R CB 0.946 31.329 30.300 0.138 0.000 1.256 221 R HN 0.291 8.604 8.270 0.072 0.000 0.536 222 P HA -0.134 4.488 4.420 0.007 -0.198 0.268 222 P C -0.428 176.857 177.300 -0.026 0.000 1.205 222 P CA 0.508 63.619 63.100 0.019 0.000 0.771 222 P CB 0.134 31.838 31.700 0.007 0.000 0.858 223 N N -3.791 114.840 118.700 -0.115 0.000 2.753 223 N HA -0.475 4.119 4.740 -0.244 0.000 0.251 223 N C -1.788 173.345 175.510 -0.627 0.000 1.097 223 N CA 1.986 54.847 53.050 -0.314 0.000 0.786 223 N CB -1.126 37.136 38.487 -0.375 0.000 1.137 223 N HN 0.347 8.682 8.380 -0.075 0.000 0.566 224 Y N -1.880 118.351 120.300 -0.116 0.000 2.445 224 Y HA -0.010 4.337 4.550 -0.339 0.000 0.332 224 Y C -1.239 174.665 175.900 0.006 0.000 1.037 224 Y CA -1.041 56.953 58.100 -0.176 0.000 1.296 224 Y CB 0.691 39.038 38.460 -0.189 0.000 1.099 224 Y HN -0.864 7.348 8.280 -0.010 0.061 0.496 225 S N 2.980 118.793 115.700 0.189 0.000 2.576 225 S HA -0.073 4.456 4.470 0.100 0.000 0.272 225 S C 0.208 174.853 174.600 0.076 0.000 1.352 225 S CA 1.358 59.642 58.200 0.140 0.000 1.021 225 S CB 0.832 64.106 63.200 0.124 0.000 0.887 225 S HN -0.027 8.681 8.310 0.163 -0.301 0.542 226 G N 0.079 108.879 108.800 0.001 0.000 2.442 226 G HA2 0.294 4.071 3.960 -0.305 0.000 0.249 226 G HA3 0.294 4.268 3.960 -0.163 -0.112 0.249 226 G C -2.015 172.625 174.900 -0.433 0.000 1.263 226 G CA -0.295 44.672 45.100 -0.223 0.000 0.846 226 G HN -0.203 8.126 8.290 0.066 0.000 0.555 227 V N 3.110 122.476 119.914 -0.914 0.000 2.459 227 V HA 0.472 4.336 4.120 -0.663 -0.143 0.295 227 V C -1.081 174.371 176.094 -1.069 0.000 1.029 227 V CA -1.214 60.484 62.300 -1.002 0.000 0.874 227 V CB 2.190 33.018 31.823 -1.659 0.000 0.985 227 V HN 0.185 7.796 8.190 -0.965 0.000 0.438 228 Y N 4.809 124.728 120.300 -0.635 0.000 2.462 228 Y HA 0.468 4.919 4.550 -0.368 -0.121 0.346 228 Y C -1.093 174.552 175.900 -0.425 0.000 0.976 228 Y CA -2.054 55.685 58.100 -0.601 0.000 1.044 228 Y CB 4.265 42.065 38.460 -1.099 0.000 1.230 228 Y HN 0.679 8.624 8.280 -0.559 0.000 0.455 229 A N 2.370 125.173 122.820 -0.029 0.000 2.409 229 A HA 0.258 4.747 4.320 0.071 -0.126 0.262 229 A C -1.111 176.578 177.584 0.175 0.000 1.113 229 A CA -0.872 51.209 52.037 0.074 0.000 0.790 229 A CB 0.581 19.641 19.000 0.099 0.000 1.046 229 A HN 0.456 8.605 8.150 -0.002 0.000 0.496 230 S N 3.649 119.495 115.700 0.242 0.000 2.439 230 S HA 0.222 5.174 4.470 0.593 -0.126 0.282 230 S C 0.943 175.682 174.600 0.232 0.000 1.170 230 S CA -2.039 56.386 58.200 0.376 0.000 1.054 230 S CB 0.664 64.078 63.200 0.356 0.000 0.956 230 S HN -0.090 8.331 8.310 0.185 0.000 0.490 231 V N 8.666 128.719 119.914 0.232 0.000 2.255 231 V HA -0.403 3.810 4.120 0.155 0.000 0.247 231 V C 1.886 178.044 176.094 0.107 0.000 1.051 231 V CA 3.020 65.410 62.300 0.150 0.000 1.018 231 V CB -0.418 31.473 31.823 0.114 0.000 0.641 231 V HN 0.814 9.093 8.190 0.301 0.092 0.445 232 G N -1.412 107.432 108.800 0.074 0.000 2.469 232 G HA2 -0.337 3.884 3.960 0.029 0.000 0.219 232 G HA3 -0.337 3.787 3.960 0.011 -0.158 0.219 232 G C 0.597 175.536 174.900 0.064 0.000 1.150 232 G CA 2.250 47.374 45.100 0.039 0.000 0.763 232 G HN -0.315 8.017 8.290 0.070 0.000 0.561 233 A N 0.532 123.407 122.820 0.091 0.000 2.014 233 A HA -0.036 4.329 4.320 0.076 0.000 0.218 233 A C 0.245 177.894 177.584 0.109 0.000 1.163 233 A CA 1.749 53.841 52.037 0.092 0.000 0.652 233 A CB 0.231 19.288 19.000 0.096 0.000 0.808 233 A HN -0.499 7.718 8.150 0.110 -0.000 0.449 234 L N -5.230 116.075 121.223 0.138 0.000 2.910 234 L HA 0.287 4.756 4.340 0.214 0.000 0.252 234 L C 0.319 177.332 176.870 0.238 0.000 1.195 234 L CA -1.232 53.732 54.840 0.206 0.000 1.003 234 L CB -0.408 41.773 42.059 0.203 0.000 1.328 234 L HN -0.379 7.658 8.230 0.136 0.275 0.540 235 R N 0.404 120.996 120.500 0.153 0.000 2.105 235 R HA -0.352 4.050 4.340 0.103 0.000 0.239 235 R C 1.491 177.857 176.300 0.110 0.000 1.135 235 R CA 2.872 59.037 56.100 0.109 0.000 0.967 235 R CB -0.704 29.632 30.300 0.059 0.000 0.861 235 R HN -0.835 7.439 8.270 0.128 0.072 0.442 236 S N -1.197 114.588 115.700 0.141 0.000 2.368 236 S HA -0.239 4.260 4.470 0.047 0.000 0.224 236 S C 1.768 176.443 174.600 0.125 0.000 1.029 236 S CA 3.757 62.020 58.200 0.105 0.000 0.988 236 S CB -0.539 62.728 63.200 0.112 0.000 0.838 236 S HN 0.108 8.512 8.310 0.156 0.000 0.462 237 F N 3.377 123.392 119.950 0.107 0.000 2.095 237 F HA -0.286 4.321 4.527 0.133 0.000 0.298 237 F C 0.954 176.849 175.800 0.159 0.000 1.104 237 F CA 3.032 61.120 58.000 0.146 0.000 1.232 237 F CB -0.202 38.914 39.000 0.194 0.000 0.987 237 F HN -0.886 7.670 8.300 0.426 0.000 0.475 238 I N -1.274 119.266 120.570 -0.049 0.000 2.163 238 I HA -0.700 3.232 4.170 -0.397 0.000 0.243 238 I C 1.689 177.685 176.117 -0.202 0.000 1.085 238 I CA 4.237 65.419 61.300 -0.195 0.000 1.347 238 I CB -0.416 37.583 38.000 -0.002 0.000 1.044 238 I HN -0.683 7.653 8.210 0.212 0.000 0.408 239 D N -0.803 119.517 120.400 -0.133 0.000 2.178 239 D HA -0.192 4.369 4.640 -0.131 0.000 0.202 239 D C 2.299 178.450 176.300 -0.247 0.000 0.974 239 D CA 2.995 56.907 54.000 -0.148 0.000 0.841 239 D CB -0.503 40.241 40.800 -0.094 0.000 0.953 239 D HN -0.083 8.243 8.370 -0.073 0.000 0.478 240 T N 0.440 114.768 114.554 -0.376 0.000 2.746 240 T HA -0.276 3.765 4.350 -0.516 0.000 0.267 240 T C 1.120 175.307 174.700 -0.856 0.000 1.039 240 T CA 3.809 65.487 62.100 -0.703 0.000 1.142 240 T CB 0.462 68.632 68.868 -1.164 0.000 0.866 240 T HN -0.459 7.569 8.240 -0.313 0.025 0.444 241 Y N -3.148 116.993 120.300 -0.266 0.000 2.442 241 Y HA 0.042 4.486 4.550 -0.177 0.000 0.250 241 Y C -0.986 174.789 175.900 -0.209 0.000 1.113 241 Y CA 0.052 58.002 58.100 -0.251 0.000 1.273 241 Y CB 0.477 38.720 38.460 -0.360 0.000 1.138 241 Y HN -0.891 7.084 8.280 -0.473 0.022 0.522 242 A N 0.000 122.744 122.820 -0.127 0.000 2.254 242 A HA 0.000 4.262 4.320 -0.097 0.000 0.244 242 A CA 0.000 51.971 52.037 -0.111 0.000 0.836 242 A CB 0.000 18.927 19.000 -0.121 0.000 0.831 242 A HN 0.000 8.043 8.150 -0.178 0.000 0.486