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 2p80_1_B DATA FIRST_RESID 4 DATA SEQUENCE ATAAEIAALP RQKVELVDPP FVHAHSQVAE GGPKVVEFTM VIEEKKIVID DATA SEQUENCE DAGTEVHAMA FNGTVPGPLM VVHQDDYLEL TLINPETNTL MHNIDFHAAT DATA SEQUENCE GALGGGGLTE INPGEKTILR FKATKPGVFV YHCAPPGMVP WHVVSGMNGA DATA SEQUENCE IMVLPREGLH DGKGKALTYD KIYYVGEQDF YVPRDENGKY KKYEAPGDAY DATA SEQUENCE EDTVKVMRTL TPTHVVFNGA VGALTGDKAM TAAVGEKVLI VHSQANRDTR DATA SEQUENCE PHLIGGHGDY VWATGKFNTP PDVDQETWFI PGGAAGAAFY TFQQPGIYAY DATA SEQUENCE VNHNLIEAFE LGAAAHFKVT GEWNDDLMTS VLAPSG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 A HA 0.000 4.333 4.320 0.022 0.000 0.244 4 A C 0.000 177.585 177.584 0.001 0.000 1.274 4 A CA 0.000 52.056 52.037 0.031 0.000 0.836 4 A CB 0.000 19.024 19.000 0.040 0.000 0.831 5 T N -0.407 114.138 114.554 -0.015 0.000 2.824 5 T HA 0.283 4.624 4.350 -0.015 0.000 0.277 5 T C 0.826 175.496 174.700 -0.050 0.000 0.975 5 T CA -2.125 59.960 62.100 -0.024 0.000 0.966 5 T CB 1.271 70.128 68.868 -0.019 0.000 1.054 5 T HN 0.004 8.559 8.240 -0.014 -0.324 0.533 6 A N 0.946 123.738 122.820 -0.047 0.000 1.908 6 A HA -0.326 3.941 4.320 -0.088 0.000 0.218 6 A C 1.865 179.408 177.584 -0.070 0.000 1.181 6 A CA 3.291 55.289 52.037 -0.065 0.000 0.627 6 A CB -0.949 18.023 19.000 -0.047 0.000 0.818 6 A HN 0.480 8.610 8.150 -0.034 0.000 0.445 7 A N -1.956 120.833 122.820 -0.051 0.000 1.940 7 A HA -0.288 4.003 4.320 -0.049 0.000 0.219 7 A C 2.590 180.140 177.584 -0.057 0.000 1.176 7 A CA 2.883 54.891 52.037 -0.048 0.000 0.631 7 A CB -0.757 18.222 19.000 -0.034 0.000 0.814 7 A HN 0.157 8.283 8.150 -0.041 0.000 0.446 8 E N -1.179 118.986 120.200 -0.058 0.000 2.047 8 E HA -0.340 3.981 4.350 -0.048 0.000 0.191 8 E C 2.387 178.928 176.600 -0.099 0.000 0.987 8 E CA 2.703 59.067 56.400 -0.060 0.000 0.799 8 E CB 0.010 29.685 29.700 -0.042 0.000 0.752 8 E HN -0.845 7.476 8.360 -0.051 0.008 0.449 9 I N -0.919 119.562 120.570 -0.148 0.000 2.226 9 I HA -0.483 3.502 4.170 -0.308 0.000 0.245 9 I C 1.906 177.910 176.117 -0.188 0.000 1.100 9 I CA 3.527 64.674 61.300 -0.255 0.000 1.374 9 I CB -0.096 37.695 38.000 -0.347 0.000 1.057 9 I HN -0.230 7.902 8.210 -0.130 0.000 0.413 10 A N -1.018 121.723 122.820 -0.133 0.000 2.015 10 A HA -0.269 3.986 4.320 -0.108 0.000 0.219 10 A C 0.611 178.146 177.584 -0.081 0.000 1.163 10 A CA 2.171 54.148 52.037 -0.100 0.000 0.646 10 A CB -0.390 18.565 19.000 -0.075 0.000 0.806 10 A HN -0.048 8.024 8.150 -0.120 0.007 0.448 11 A N -3.010 119.766 122.820 -0.074 0.000 2.251 11 A HA 0.025 4.315 4.320 -0.050 0.000 0.209 11 A C 0.128 177.679 177.584 -0.054 0.000 1.187 11 A CA -0.079 51.924 52.037 -0.055 0.000 0.823 11 A CB -0.023 18.951 19.000 -0.044 0.000 0.846 11 A HN -0.538 7.437 8.150 -0.079 0.128 0.486 12 L N -0.302 120.879 121.223 -0.070 0.000 2.371 12 L HA 0.225 4.543 4.340 -0.037 0.000 0.272 12 L C -1.744 175.097 176.870 -0.048 0.000 1.124 12 L CA -2.544 52.264 54.840 -0.053 0.000 0.816 12 L CB 0.029 42.051 42.059 -0.062 0.000 1.129 12 L HN -0.766 7.233 8.230 -0.094 0.175 0.448 13 P HA 0.045 4.443 4.420 -0.038 0.000 0.268 13 P C -1.788 175.489 177.300 -0.038 0.000 1.204 13 P CA 0.064 63.144 63.100 -0.034 0.000 0.768 13 P CB 0.809 32.494 31.700 -0.025 0.000 0.842 14 R N 1.033 121.503 120.500 -0.050 0.000 2.460 14 R HA 0.383 4.882 4.340 -0.060 -0.195 0.303 14 R C -0.406 175.850 176.300 -0.073 0.000 0.968 14 R CA -0.622 55.440 56.100 -0.064 0.000 0.889 14 R CB 2.360 32.616 30.300 -0.074 0.000 1.123 14 R HN 0.134 8.375 8.270 -0.049 0.000 0.455 15 Q N 6.095 125.838 119.800 -0.095 0.000 2.303 15 Q HA 0.224 4.506 4.340 -0.096 0.000 0.267 15 Q C -1.992 173.873 176.000 -0.225 0.000 1.011 15 Q CA -0.855 54.879 55.803 -0.115 0.000 0.740 15 Q CB 3.243 31.941 28.738 -0.066 0.000 1.250 15 Q HN 0.395 8.606 8.270 -0.099 0.000 0.458 16 K N 8.136 128.400 120.400 -0.226 0.000 2.249 16 K HA 0.132 4.329 4.320 -0.455 -0.150 0.280 16 K C -0.879 175.489 176.600 -0.386 0.000 1.033 16 K CA -0.201 55.885 56.287 -0.334 0.000 0.946 16 K CB 0.490 32.863 32.500 -0.211 0.000 1.005 16 K HN 0.367 8.522 8.250 -0.159 0.000 0.469 17 V N 7.568 127.086 119.914 -0.659 0.000 2.531 17 V HA 0.123 4.109 4.120 -0.222 0.000 0.301 17 V C -1.534 174.417 176.094 -0.238 0.000 1.034 17 V CA -0.938 61.083 62.300 -0.464 0.000 0.865 17 V CB 3.251 34.696 31.823 -0.630 0.000 0.995 17 V HN 0.390 8.010 8.190 -0.950 0.000 0.424 18 E N 6.883 127.052 120.200 -0.050 0.000 2.223 18 E HA 0.064 4.424 4.350 0.018 0.000 0.282 18 E C -0.624 176.052 176.600 0.126 0.000 1.046 18 E CA -0.491 55.929 56.400 0.034 0.000 0.857 18 E CB 0.413 30.136 29.700 0.038 0.000 1.055 18 E HN 0.292 8.636 8.360 -0.027 0.000 0.409 19 L N 3.150 124.467 121.223 0.156 0.000 2.399 19 L HA 0.075 4.560 4.340 0.242 0.000 0.266 19 L C -0.187 176.800 176.870 0.196 0.000 1.114 19 L CA -0.460 54.503 54.840 0.205 0.000 0.804 19 L CB 0.878 43.052 42.059 0.192 0.000 1.146 19 L HN 0.262 8.573 8.230 0.135 0.000 0.451 20 V N -1.248 118.810 119.914 0.240 0.000 3.345 20 V HA 0.304 4.525 4.120 0.169 0.000 0.308 20 V C -0.951 175.288 176.094 0.241 0.000 1.168 20 V CA -2.726 59.704 62.300 0.218 0.000 1.024 20 V CB 1.513 33.478 31.823 0.236 0.000 1.211 20 V HN 0.235 8.601 8.190 0.292 0.000 0.461 21 D N 0.026 120.578 120.400 0.253 0.000 2.217 21 D HA 0.374 5.154 4.640 0.233 0.000 0.243 21 D C -1.778 174.702 176.300 0.301 0.000 1.054 21 D CA -2.447 51.703 54.000 0.251 0.000 0.838 21 D CB 0.300 41.221 40.800 0.201 0.000 1.162 21 D HN 0.023 8.541 8.370 0.246 0.000 0.472 22 P HA 0.037 4.773 4.420 0.200 -0.195 0.269 22 P C -1.433 175.882 177.300 0.025 0.000 1.200 22 P CA -0.544 62.645 63.100 0.148 0.000 0.779 22 P CB -0.270 31.469 31.700 0.064 0.000 0.841 23 P HA 0.150 4.667 4.420 -0.104 -0.160 0.249 23 P C -0.927 176.372 177.300 -0.001 0.000 1.229 23 P CA 0.305 63.306 63.100 -0.164 0.000 0.788 23 P CB 1.055 32.567 31.700 -0.314 0.000 1.072 24 F N 0.335 120.434 119.950 0.248 0.000 2.480 24 F HA -0.090 4.581 4.527 0.240 0.000 0.319 24 F C 0.410 176.312 175.800 0.169 0.000 1.230 24 F CA 1.972 60.103 58.000 0.217 0.000 1.285 24 F CB 0.466 39.567 39.000 0.168 0.000 1.208 24 F HN -0.890 7.304 8.300 -0.046 0.078 0.579 25 V N -1.899 118.202 119.914 0.311 0.000 2.789 25 V HA 0.163 4.425 4.120 0.237 0.000 0.311 25 V C -1.015 175.175 176.094 0.161 0.000 1.073 25 V CA -1.498 60.912 62.300 0.185 0.000 0.921 25 V CB 3.252 35.105 31.823 0.049 0.000 1.009 25 V HN 0.141 8.523 8.190 0.320 0.000 0.426 26 H N 4.144 123.351 119.070 0.228 0.000 2.822 26 H HA -0.029 4.638 4.556 0.184 0.000 0.373 26 H C -0.373 175.133 175.328 0.297 0.000 1.223 26 H CA -0.486 55.699 56.048 0.229 0.000 1.436 26 H CB 0.565 30.468 29.762 0.235 0.000 1.439 26 H HN 0.429 8.920 8.280 0.351 0.000 0.618 27 A N 3.904 126.872 122.820 0.247 0.000 2.511 27 A HA -0.191 4.117 4.320 -0.019 0.000 0.242 27 A C -1.338 176.389 177.584 0.238 0.000 1.069 27 A CA 1.171 53.281 52.037 0.122 0.000 0.763 27 A CB 0.309 19.373 19.000 0.106 0.000 1.001 27 A HN 0.406 8.735 8.150 0.298 0.000 0.498 28 H N -0.202 118.898 119.070 0.050 0.000 3.024 28 H HA 0.258 4.931 4.556 0.195 0.000 0.324 28 H C -2.233 173.160 175.328 0.108 0.000 1.347 28 H CA -1.712 54.406 56.048 0.117 0.000 1.182 28 H CB 1.489 31.284 29.762 0.055 0.000 1.889 28 H HN -0.200 7.857 8.280 -0.373 0.000 0.528 29 S N -0.417 115.418 115.700 0.225 0.000 2.475 29 S HA 0.224 4.681 4.470 -0.022 0.000 0.298 29 S C 0.624 175.403 174.600 0.299 0.000 1.119 29 S CA -1.706 56.573 58.200 0.132 0.000 1.085 29 S CB 1.839 65.098 63.200 0.099 0.000 1.028 29 S HN 0.014 8.548 8.310 0.372 0.000 0.489 30 Q N 2.077 121.965 119.800 0.147 0.000 1.967 30 Q HA -0.282 4.225 4.340 0.279 0.000 0.202 30 Q C 0.412 176.588 176.000 0.294 0.000 0.985 30 Q CA 2.776 58.681 55.803 0.170 0.000 0.839 30 Q CB 0.194 28.862 28.738 -0.117 0.000 0.906 30 Q HN 0.513 8.781 8.270 -0.004 0.000 0.423 31 V N -1.393 118.597 119.914 0.126 0.000 2.555 31 V HA -0.184 4.114 4.120 0.094 -0.122 0.286 31 V C -0.999 175.057 176.094 -0.063 0.000 1.044 31 V CA -0.181 62.156 62.300 0.063 0.000 1.026 31 V CB -0.054 31.766 31.823 -0.006 0.000 0.981 31 V HN -0.399 7.814 8.190 0.037 0.000 0.480 32 A N 7.250 129.855 122.820 -0.360 0.000 2.477 32 A HA -0.024 3.585 4.320 -1.186 0.000 0.246 32 A C -0.408 176.999 177.584 -0.295 0.000 1.078 32 A CA 0.348 51.925 52.037 -0.766 0.000 0.770 32 A CB 0.676 19.208 19.000 -0.779 0.000 1.011 32 A HN 0.359 8.266 8.150 -0.221 0.111 0.494 33 E N 3.657 123.730 120.200 -0.211 0.000 2.035 33 E HA 0.110 4.406 4.350 -0.090 0.000 0.271 33 E C -0.238 176.311 176.600 -0.084 0.000 0.953 33 E CA -0.878 55.461 56.400 -0.101 0.000 0.777 33 E CB 0.216 29.885 29.700 -0.052 0.000 1.104 33 E HN 0.464 8.683 8.360 -0.234 0.000 0.408 34 G N 3.655 112.410 108.800 -0.075 0.000 2.631 34 G HA2 -0.318 3.616 3.960 -0.043 0.000 0.504 34 G HA3 -0.318 3.616 3.960 -0.044 0.000 0.504 34 G C -0.583 174.282 174.900 -0.058 0.000 1.306 34 G CA -0.994 44.074 45.100 -0.053 0.000 0.897 34 G HN -0.201 8.043 8.290 -0.077 0.000 0.520 35 G N -1.950 106.829 108.800 -0.035 0.000 2.494 35 G HA2 0.153 4.094 3.960 -0.032 0.000 0.270 35 G HA3 0.153 4.106 3.960 -0.012 0.000 0.270 35 G C -1.834 173.060 174.900 -0.010 0.000 1.423 35 G CA -1.042 44.043 45.100 -0.023 0.000 1.055 35 G HN -0.082 8.191 8.290 -0.028 0.000 0.536 36 P HA 0.109 4.921 4.420 0.048 -0.364 0.266 36 P C -1.484 175.856 177.300 0.067 0.000 1.195 36 P CA -0.197 62.939 63.100 0.061 0.000 0.768 36 P CB 0.649 32.420 31.700 0.118 0.000 0.838 37 K N 0.833 121.282 120.400 0.082 0.000 2.501 37 K HA 0.153 4.553 4.320 0.036 -0.058 0.252 37 K C -1.244 175.402 176.600 0.076 0.000 0.934 37 K CA -1.531 54.790 56.287 0.056 0.000 0.797 37 K CB 4.003 36.519 32.500 0.027 0.000 1.270 37 K HN 0.285 8.894 8.250 0.091 -0.304 0.431 38 V N 4.672 124.605 119.914 0.033 0.000 2.403 38 V HA -0.085 4.255 4.120 0.071 -0.178 0.265 38 V C -0.195 175.886 176.094 -0.022 0.000 1.034 38 V CA -0.064 62.242 62.300 0.011 0.000 1.036 38 V CB -0.844 30.944 31.823 -0.058 0.000 1.032 38 V HN 0.018 8.207 8.190 -0.001 0.000 0.478 39 V N 8.773 128.692 119.914 0.008 0.000 2.583 39 V HA 0.114 4.337 4.120 -0.093 -0.159 0.287 39 V C -0.804 175.239 176.094 -0.084 0.000 1.051 39 V CA -0.394 61.906 62.300 -0.000 0.000 1.010 39 V CB 0.392 32.388 31.823 0.288 0.000 0.988 39 V HN 0.771 8.979 8.190 0.030 0.000 0.478 40 E N 5.578 125.547 120.200 -0.386 0.000 2.176 40 E HA 0.796 5.274 4.350 -0.119 -0.199 0.267 40 E C -1.158 175.009 176.600 -0.722 0.000 0.893 40 E CA -1.554 54.641 56.400 -0.342 0.000 0.761 40 E CB 2.735 32.283 29.700 -0.252 0.000 1.133 40 E HN 0.273 8.321 8.360 -0.519 0.000 0.409 41 F N 3.503 123.385 119.950 -0.113 0.000 2.578 41 F HA 0.428 4.897 4.527 -0.096 0.000 0.311 41 F C -1.118 174.640 175.800 -0.071 0.000 1.094 41 F CA -1.006 56.930 58.000 -0.106 0.000 0.923 41 F CB 4.263 43.175 39.000 -0.146 0.000 1.230 41 F HN 0.726 9.087 8.300 0.101 0.000 0.450 42 T N 4.233 118.851 114.554 0.106 0.000 2.841 42 T HA 0.638 5.214 4.350 0.075 -0.182 0.285 42 T C -0.945 173.813 174.700 0.097 0.000 0.991 42 T CA -0.418 61.728 62.100 0.076 0.000 0.966 42 T CB 1.791 70.683 68.868 0.039 0.000 0.962 42 T HN 0.434 8.732 8.240 0.096 0.000 0.438 43 M N 7.172 126.834 119.600 0.104 0.000 2.263 43 M HA 0.277 4.835 4.480 0.129 0.000 0.295 43 M C -2.234 174.170 176.300 0.173 0.000 1.028 43 M CA -0.498 54.883 55.300 0.137 0.000 0.921 43 M CB 4.101 36.781 32.600 0.133 0.000 1.601 43 M HN 0.333 8.681 8.290 0.096 0.000 0.440 44 V N 3.183 123.188 119.914 0.152 0.000 2.481 44 V HA 0.431 4.813 4.120 0.143 -0.176 0.286 44 V C -0.437 175.735 176.094 0.131 0.000 1.042 44 V CA -0.945 61.434 62.300 0.133 0.000 0.928 44 V CB 0.962 32.838 31.823 0.088 0.000 0.986 44 V HN 0.632 8.902 8.190 0.133 0.000 0.462 45 I N 7.907 128.530 120.570 0.089 0.000 2.396 45 I HA 0.122 4.399 4.170 -0.106 -0.170 0.292 45 I C -0.639 175.417 176.117 -0.101 0.000 0.999 45 I CA 0.005 61.246 61.300 -0.099 0.000 1.310 45 I CB 1.243 39.047 38.000 -0.327 0.000 1.404 45 I HN 0.275 8.552 8.210 0.112 0.000 0.496 46 E N 6.281 126.403 120.200 -0.130 0.000 2.220 46 E HA 0.314 4.639 4.350 -0.041 0.000 0.256 46 E C -1.179 175.361 176.600 -0.100 0.000 0.881 46 E CA -1.792 54.566 56.400 -0.071 0.000 0.766 46 E CB 2.135 31.821 29.700 -0.024 0.000 1.187 46 E HN 0.574 8.834 8.360 -0.168 0.000 0.419 47 E N 7.283 127.438 120.200 -0.075 0.000 2.070 47 E HA 0.327 4.831 4.350 -0.119 -0.226 0.282 47 E C -0.372 176.223 176.600 -0.009 0.000 1.104 47 E CA 0.268 56.628 56.400 -0.066 0.000 0.876 47 E CB -0.023 29.657 29.700 -0.033 0.000 1.055 47 E HN -0.095 8.520 8.360 -0.040 -0.280 0.401 48 K N 2.601 122.991 120.400 -0.016 0.000 2.213 48 K HA 0.332 4.680 4.320 0.046 0.000 0.254 48 K C -2.276 174.300 176.600 -0.040 0.000 1.062 48 K CA -2.109 54.180 56.287 0.003 0.000 0.884 48 K CB 2.658 35.148 32.500 -0.016 0.000 1.437 48 K HN 0.154 8.375 8.250 -0.049 0.000 0.464 49 K N -0.442 119.904 120.400 -0.090 0.000 2.235 49 K HA 0.230 4.491 4.320 -0.333 -0.141 0.266 49 K C -0.444 176.052 176.600 -0.174 0.000 0.980 49 K CA -0.683 55.465 56.287 -0.232 0.000 0.849 49 K CB 0.585 32.913 32.500 -0.285 0.000 1.098 49 K HN 0.016 8.235 8.250 -0.052 0.000 0.445 50 I N -0.194 120.253 120.570 -0.204 0.000 2.689 50 I HA 0.466 4.562 4.170 -0.123 0.000 0.299 50 I C -2.005 173.989 176.117 -0.205 0.000 1.059 50 I CA -1.743 59.459 61.300 -0.164 0.000 1.055 50 I CB 3.540 41.458 38.000 -0.137 0.000 1.243 50 I HN 0.044 8.099 8.210 -0.258 0.000 0.425 51 V N 4.167 123.985 119.914 -0.159 0.000 2.686 51 V HA 0.480 4.703 4.120 -0.201 -0.223 0.295 51 V C 0.422 176.407 176.094 -0.182 0.000 1.057 51 V CA -0.027 62.173 62.300 -0.167 0.000 1.012 51 V CB 1.266 33.025 31.823 -0.107 0.000 1.006 51 V HN 0.241 8.359 8.190 -0.119 0.000 0.477 52 I N -3.586 116.849 120.570 -0.224 0.000 4.288 52 I HA 0.578 4.795 4.170 -0.151 -0.137 0.331 52 I C -1.057 174.989 176.117 -0.119 0.000 1.322 52 I CA -0.598 60.578 61.300 -0.208 0.000 1.149 52 I CB 2.007 39.784 38.000 -0.373 0.000 1.112 52 I HN 0.320 8.381 8.210 -0.248 0.000 0.403 53 D N -0.792 119.547 120.400 -0.102 0.000 2.798 53 D HA 0.292 4.931 4.640 -0.003 0.000 0.308 53 D C 0.383 176.678 176.300 -0.008 0.000 1.187 53 D CA -1.359 52.629 54.000 -0.020 0.000 1.033 53 D CB 1.337 42.159 40.800 0.037 0.000 1.445 53 D HN -0.716 7.574 8.370 -0.133 0.000 0.550 54 D N -0.406 120.007 120.400 0.022 0.000 2.234 54 D HA -0.125 4.520 4.640 0.009 0.000 0.205 54 D C 0.454 176.769 176.300 0.026 0.000 0.962 54 D CA 2.667 56.679 54.000 0.021 0.000 0.855 54 D CB -0.343 40.475 40.800 0.031 0.000 0.951 54 D HN 0.521 8.915 8.370 0.040 0.000 0.500 55 A N -1.282 121.566 122.820 0.048 0.000 2.172 55 A HA -0.079 4.269 4.320 0.047 0.000 0.216 55 A C 1.156 178.760 177.584 0.034 0.000 1.154 55 A CA 0.428 52.500 52.037 0.059 0.000 0.701 55 A CB -0.101 18.971 19.000 0.120 0.000 0.789 55 A HN -0.048 8.160 8.150 0.065 -0.019 0.465 56 G N -2.571 106.231 108.800 0.002 0.000 2.134 56 G HA2 -0.248 3.686 3.960 -0.042 0.000 0.209 56 G HA3 -0.248 3.703 3.960 -0.014 0.000 0.209 56 G C -0.015 174.851 174.900 -0.056 0.000 0.993 56 G CA -0.535 44.549 45.100 -0.027 0.000 0.669 56 G HN -0.324 8.101 8.290 -0.005 -0.137 0.519 57 T N 2.811 117.316 114.554 -0.082 0.000 2.934 57 T HA -0.215 4.087 4.350 -0.081 0.000 0.306 57 T C -1.157 173.401 174.700 -0.237 0.000 1.042 57 T CA 2.439 64.430 62.100 -0.182 0.000 1.145 57 T CB 0.591 69.182 68.868 -0.462 0.000 0.982 57 T HN -0.205 8.479 8.240 -0.058 -0.479 0.544 58 E N 5.647 125.719 120.200 -0.213 0.000 2.222 58 E HA 0.661 5.028 4.350 -0.268 -0.177 0.267 58 E C -1.676 174.757 176.600 -0.279 0.000 0.884 58 E CA -1.263 54.990 56.400 -0.244 0.000 0.764 58 E CB 3.462 33.043 29.700 -0.198 0.000 1.169 58 E HN 0.218 8.485 8.360 -0.155 0.000 0.413 59 V N 2.000 121.699 119.914 -0.359 0.000 2.531 59 V HA 0.304 4.317 4.120 -0.179 0.000 0.301 59 V C -1.183 174.735 176.094 -0.294 0.000 1.034 59 V CA -2.644 59.460 62.300 -0.328 0.000 0.865 59 V CB 3.546 35.027 31.823 -0.571 0.000 0.995 59 V HN 0.309 8.277 8.190 -0.370 0.000 0.424 60 H N 7.789 126.806 119.070 -0.087 0.000 3.362 60 H HA -0.075 4.612 4.556 -0.071 -0.173 0.248 60 H C -0.939 174.305 175.328 -0.139 0.000 1.276 60 H CA 0.490 56.492 56.048 -0.077 0.000 1.520 60 H CB -2.040 27.713 29.762 -0.015 0.000 1.624 60 H HN 0.289 8.624 8.280 0.092 0.000 0.502 61 A N 4.301 127.068 122.820 -0.089 0.000 2.340 61 A HA 0.192 4.627 4.320 -0.091 -0.169 0.268 61 A C -1.210 176.294 177.584 -0.133 0.000 1.100 61 A CA -0.887 51.090 52.037 -0.101 0.000 0.803 61 A CB 2.406 21.355 19.000 -0.085 0.000 1.043 61 A HN 0.078 8.145 8.150 -0.128 0.007 0.488 62 M N 1.522 121.008 119.600 -0.190 0.000 2.072 62 M HA 0.125 4.429 4.480 -0.293 0.000 0.331 62 M C -2.208 173.911 176.300 -0.302 0.000 1.004 62 M CA -0.424 54.690 55.300 -0.311 0.000 0.952 62 M CB 0.607 32.956 32.600 -0.419 0.000 1.511 62 M HN -0.133 8.065 8.290 -0.153 0.000 0.422 63 A N 3.444 126.084 122.820 -0.300 0.000 2.359 63 A HA 0.579 4.829 4.320 -0.117 0.000 0.303 63 A C -1.784 175.679 177.584 -0.203 0.000 1.066 63 A CA -1.829 50.104 52.037 -0.174 0.000 0.730 63 A CB 3.372 22.349 19.000 -0.039 0.000 1.211 63 A HN -0.103 7.877 8.150 -0.283 0.000 0.439 64 F N 3.931 123.909 119.950 0.047 0.000 2.467 64 F HA -0.183 4.352 4.527 0.014 0.000 0.362 64 F C 0.250 176.098 175.800 0.081 0.000 1.090 64 F CA 1.109 59.144 58.000 0.059 0.000 1.202 64 F CB 0.735 39.803 39.000 0.113 0.000 1.113 64 F HN 0.515 8.895 8.300 0.134 0.000 0.541 65 N N 3.251 122.103 118.700 0.252 0.000 2.878 65 N HA -0.307 4.526 4.740 0.154 0.000 0.247 65 N C -0.197 175.389 175.510 0.127 0.000 1.021 65 N CA 1.154 54.312 53.050 0.179 0.000 0.873 65 N CB -0.391 38.217 38.487 0.201 0.000 1.128 65 N HN 0.617 9.042 8.380 0.248 0.104 0.571 66 G N -4.533 104.319 108.800 0.087 0.000 2.179 66 G HA2 -0.388 3.584 3.960 0.019 0.000 0.257 66 G HA3 -0.388 3.604 3.960 0.053 0.000 0.257 66 G C -0.918 174.023 174.900 0.069 0.000 1.010 66 G CA 0.975 46.107 45.100 0.053 0.000 0.736 66 G HN -0.309 7.976 8.290 0.071 0.047 0.513 67 T N -3.172 111.444 114.554 0.104 0.000 3.032 67 T HA 0.276 4.673 4.350 0.079 0.000 0.312 67 T C -1.833 172.946 174.700 0.131 0.000 1.078 67 T CA -1.583 60.582 62.100 0.109 0.000 1.028 67 T CB 3.148 72.095 68.868 0.132 0.000 1.091 67 T HN -0.760 7.526 8.240 0.130 0.032 0.457 68 V N 5.166 125.143 119.914 0.105 0.000 2.350 68 V HA 0.325 4.529 4.120 0.140 0.000 0.276 68 V C -1.748 174.395 176.094 0.081 0.000 1.028 68 V CA -2.974 59.397 62.300 0.118 0.000 0.860 68 V CB 1.680 33.591 31.823 0.147 0.000 0.990 68 V HN 0.286 8.526 8.190 0.083 0.000 0.453 69 P HA 0.228 4.727 4.420 0.131 0.000 0.282 69 P C -0.062 177.393 177.300 0.258 0.000 1.259 69 P CA -1.414 61.764 63.100 0.131 0.000 0.826 69 P CB 0.999 32.747 31.700 0.080 0.000 1.064 70 G N -0.613 108.405 108.800 0.363 0.000 2.945 70 G HA2 -0.223 4.220 3.960 0.391 0.000 0.248 70 G HA3 -0.223 4.172 3.960 0.725 0.000 0.248 70 G C -1.717 173.468 174.900 0.475 0.000 1.250 70 G CA -0.714 44.683 45.100 0.494 0.000 0.886 70 G HN -0.432 8.060 8.290 0.336 0.000 0.609 71 P HA -0.052 4.585 4.420 0.361 0.000 0.281 71 P C -1.453 176.011 177.300 0.272 0.000 1.249 71 P CA -0.806 62.487 63.100 0.323 0.000 0.810 71 P CB 1.300 33.140 31.700 0.233 0.000 1.008 72 L N 2.134 123.476 121.223 0.199 0.000 2.278 72 L HA 0.305 4.877 4.340 -0.054 -0.264 0.287 72 L C -0.665 176.217 176.870 0.021 0.000 1.072 72 L CA -0.943 53.885 54.840 -0.021 0.000 0.819 72 L CB 0.869 42.795 42.059 -0.221 0.000 1.176 72 L HN 0.018 8.420 8.230 0.286 0.000 0.435 73 M N 6.382 125.913 119.600 -0.115 0.000 2.274 73 M HA 0.101 4.334 4.480 -0.412 0.000 0.344 73 M C -1.634 174.561 176.300 -0.175 0.000 1.161 73 M CA 0.508 55.588 55.300 -0.368 0.000 1.126 73 M CB 1.544 33.691 32.600 -0.754 0.000 1.522 73 M HN -0.171 8.068 8.290 -0.084 0.000 0.461 74 V N 1.771 121.687 119.914 0.004 0.000 2.569 74 V HA 0.648 4.880 4.120 -0.122 -0.185 0.301 74 V C -0.899 175.204 176.094 0.014 0.000 1.044 74 V CA -0.945 61.344 62.300 -0.017 0.000 0.874 74 V CB 1.686 33.379 31.823 -0.217 0.000 1.002 74 V HN 0.155 8.308 8.190 -0.061 0.000 0.424 75 V N 1.761 121.631 119.914 -0.073 0.000 3.156 75 V HA 0.518 4.721 4.120 0.138 0.000 0.311 75 V C -2.063 173.959 176.094 -0.119 0.000 1.208 75 V CA -2.904 59.399 62.300 0.006 0.000 1.063 75 V CB 3.512 35.336 31.823 0.001 0.000 1.098 75 V HN 0.035 8.158 8.190 -0.112 0.000 0.452 76 H N -1.701 117.386 119.070 0.029 0.000 2.559 76 H HA 0.523 5.270 4.556 0.040 -0.167 0.343 76 H C -0.014 175.307 175.328 -0.013 0.000 1.209 76 H CA -1.353 54.708 56.048 0.022 0.000 1.287 76 H CB 2.385 32.160 29.762 0.021 0.000 1.650 76 H HN -0.288 8.298 8.280 0.247 -0.157 0.567 77 Q N 0.351 120.225 119.800 0.124 0.000 2.311 77 Q HA -0.490 3.955 4.340 0.001 -0.105 0.272 77 Q C -0.610 175.383 176.000 -0.011 0.000 1.012 77 Q CA 2.046 57.871 55.803 0.036 0.000 0.891 77 Q CB 0.394 29.164 28.738 0.054 0.000 1.201 77 Q HN -0.229 8.142 8.270 0.168 0.000 0.391 78 D N 1.899 122.234 120.400 -0.109 0.000 1.943 78 D HA -0.306 4.200 4.640 -0.223 0.000 0.224 78 D C -0.679 175.435 176.300 -0.310 0.000 1.186 78 D CA 2.197 56.091 54.000 -0.176 0.000 1.453 78 D CB -0.993 39.774 40.800 -0.056 0.000 1.424 78 D HN 1.100 9.269 8.370 -0.137 0.118 0.666 79 D N 0.708 121.009 120.400 -0.166 0.000 2.399 79 D HA 0.084 4.748 4.640 0.039 0.000 0.241 79 D C -0.325 175.776 176.300 -0.331 0.000 1.133 79 D CA 0.768 54.706 54.000 -0.104 0.000 0.890 79 D CB 0.587 41.399 40.800 0.021 0.000 1.201 79 D HN -0.470 7.770 8.370 -0.070 0.088 0.432 80 Y N -1.440 118.755 120.300 -0.174 0.000 2.320 80 Y HA 0.258 4.700 4.550 -0.437 -0.154 0.334 80 Y C -0.305 175.344 175.900 -0.417 0.000 1.055 80 Y CA -0.586 57.316 58.100 -0.329 0.000 1.143 80 Y CB 1.442 39.764 38.460 -0.229 0.000 1.193 80 Y HN -0.359 8.137 8.280 0.359 0.000 0.477 81 L N 2.918 123.717 121.223 -0.706 0.000 2.264 81 L HA 0.338 4.651 4.340 -0.225 -0.109 0.289 81 L C -1.845 174.763 176.870 -0.436 0.000 1.044 81 L CA -0.928 53.553 54.840 -0.598 0.000 0.807 81 L CB 1.828 43.328 42.059 -0.931 0.000 1.192 81 L HN 0.518 7.996 8.230 -1.253 0.000 0.425 82 E N 8.026 128.140 120.200 -0.145 0.000 2.114 82 E HA 0.540 5.036 4.350 -0.087 -0.198 0.266 82 E C -2.377 174.218 176.600 -0.009 0.000 0.896 82 E CA -1.706 54.648 56.400 -0.076 0.000 0.750 82 E CB 2.963 32.627 29.700 -0.060 0.000 1.121 82 E HN 0.781 9.117 8.360 -0.041 0.000 0.413 83 L N 8.642 129.860 121.223 -0.008 0.000 2.325 83 L HA 1.011 5.648 4.340 0.066 -0.257 0.281 83 L C -1.573 175.322 176.870 0.041 0.000 1.004 83 L CA -1.409 53.446 54.840 0.025 0.000 0.823 83 L CB 3.435 45.475 42.059 -0.031 0.000 1.236 83 L HN 0.591 8.814 8.230 -0.012 0.000 0.415 84 T N 10.221 124.801 114.554 0.044 0.000 2.723 84 T HA 0.343 4.930 4.350 0.050 -0.207 0.297 84 T C -1.426 173.317 174.700 0.072 0.000 0.925 84 T CA 1.536 63.665 62.100 0.049 0.000 1.030 84 T CB 0.302 69.189 68.868 0.032 0.000 0.905 84 T HN 0.385 8.652 8.240 0.045 0.000 0.502 85 L N 8.707 129.984 121.223 0.090 0.000 2.322 85 L HA 0.746 5.347 4.340 0.132 -0.182 0.279 85 L C -2.204 174.746 176.870 0.133 0.000 1.036 85 L CA -1.408 53.508 54.840 0.128 0.000 0.807 85 L CB 3.547 45.697 42.059 0.151 0.000 1.226 85 L HN -0.178 8.104 8.230 0.087 0.000 0.433 86 I N 3.018 123.678 120.570 0.150 0.000 2.534 86 I HA 0.145 4.383 4.170 0.113 0.000 0.288 86 I C -2.594 173.605 176.117 0.136 0.000 1.077 86 I CA -0.594 60.779 61.300 0.123 0.000 1.051 86 I CB 3.491 41.547 38.000 0.092 0.000 1.234 86 I HN 0.073 8.389 8.210 0.176 0.000 0.425 87 N N 7.378 126.158 118.700 0.133 0.000 2.609 87 N HA 0.564 5.383 4.740 0.130 0.000 0.234 87 N C -2.681 172.889 175.510 0.099 0.000 1.001 87 N CA -3.586 49.546 53.050 0.138 0.000 0.926 87 N CB 1.898 40.499 38.487 0.189 0.000 1.130 87 N HN -0.062 8.392 8.380 0.122 0.000 0.510 88 P HA -0.019 4.434 4.420 0.055 0.000 0.266 88 P C 0.599 177.932 177.300 0.055 0.000 1.193 88 P CA -0.057 63.078 63.100 0.059 0.000 0.770 88 P CB 0.570 32.299 31.700 0.048 0.000 0.836 89 E N 1.350 121.576 120.200 0.044 0.000 2.204 89 E HA -0.385 3.951 4.350 0.040 0.038 0.195 89 E C 0.439 177.060 176.600 0.035 0.000 0.990 89 E CA 2.707 59.130 56.400 0.038 0.000 0.821 89 E CB -0.555 29.164 29.700 0.031 0.000 0.750 89 E HN 0.394 8.779 8.360 0.041 0.000 0.477 90 T N -4.875 109.700 114.554 0.035 0.000 2.881 90 T HA -0.240 4.127 4.350 0.029 0.000 0.270 90 T C 0.577 175.298 174.700 0.035 0.000 1.068 90 T CA 1.247 63.366 62.100 0.032 0.000 1.131 90 T CB -0.306 68.581 68.868 0.030 0.000 0.871 90 T HN -0.306 7.925 8.240 0.036 0.031 0.479 91 N N 1.867 120.593 118.700 0.045 0.000 2.354 91 N HA -0.134 4.634 4.740 0.047 0.000 0.246 91 N C -0.102 175.433 175.510 0.041 0.000 1.285 91 N CA 0.819 53.902 53.050 0.054 0.000 0.925 91 N CB 0.937 39.480 38.487 0.094 0.000 1.174 91 N HN -0.665 7.611 8.380 0.049 0.133 0.478 92 T N -4.332 110.241 114.554 0.032 0.000 3.043 92 T HA 0.114 4.472 4.350 0.013 0.000 0.272 92 T C -0.963 173.731 174.700 -0.010 0.000 0.990 92 T CA -0.251 61.857 62.100 0.013 0.000 0.897 92 T CB 1.618 70.494 68.868 0.013 0.000 1.111 92 T HN -0.018 8.509 8.240 0.041 -0.262 0.529 93 L N 1.141 122.334 121.223 -0.049 0.000 2.401 93 L HA 0.187 4.486 4.340 -0.068 0.000 0.266 93 L C -1.337 175.335 176.870 -0.330 0.000 0.991 93 L CA -1.391 53.364 54.840 -0.143 0.000 0.818 93 L CB 2.943 44.913 42.059 -0.148 0.000 1.321 93 L HN -0.913 7.434 8.230 -0.015 -0.126 0.413 94 M N 2.250 121.722 119.600 -0.214 0.000 2.238 94 M HA -0.071 4.481 4.480 -0.107 -0.135 0.347 94 M C -1.351 174.761 176.300 -0.315 0.000 1.173 94 M CA 0.396 55.590 55.300 -0.177 0.000 1.147 94 M CB 0.144 32.710 32.600 -0.057 0.000 1.547 94 M HN -0.069 8.151 8.290 -0.116 0.000 0.455 95 H N 4.363 123.508 119.070 0.125 0.000 3.664 95 H HA 0.413 5.057 4.556 0.147 0.000 0.282 95 H C -1.188 174.226 175.328 0.143 0.000 1.666 95 H CA -0.969 55.172 56.048 0.154 0.000 1.548 95 H CB 3.637 33.502 29.762 0.173 0.000 1.247 95 H HN -0.019 8.321 8.280 0.100 0.000 0.857 96 N N -4.099 114.836 118.700 0.391 0.000 4.713 96 N HA -0.002 5.074 4.740 0.232 -0.197 0.202 96 N C -2.631 173.035 175.510 0.261 0.000 1.194 96 N CA 0.077 53.280 53.050 0.255 0.000 0.865 96 N CB 1.369 39.943 38.487 0.145 0.000 1.525 96 N HN 0.023 8.739 8.380 0.560 0.000 0.518 97 I N -0.703 119.937 120.570 0.117 0.000 2.498 97 I HA 0.208 4.341 4.170 -0.062 0.000 0.290 97 I C -3.084 172.950 176.117 -0.137 0.000 1.032 97 I CA -1.375 59.868 61.300 -0.095 0.000 1.073 97 I CB 3.406 41.239 38.000 -0.277 0.000 1.251 97 I HN 0.085 8.365 8.210 0.116 0.000 0.426 98 D N 8.555 128.800 120.400 -0.258 0.000 2.453 98 D HA 0.323 5.072 4.640 -0.103 -0.171 0.238 98 D C -0.939 175.102 176.300 -0.432 0.000 1.088 98 D CA -2.228 51.634 54.000 -0.230 0.000 0.854 98 D CB 1.066 41.794 40.800 -0.119 0.000 1.076 98 D HN -0.262 7.949 8.370 -0.265 0.000 0.533 99 F N 5.495 125.316 119.950 -0.214 0.000 2.404 99 F HA 0.100 4.579 4.527 -0.081 0.000 0.358 99 F C 0.791 176.455 175.800 -0.227 0.000 1.120 99 F CA -0.628 57.236 58.000 -0.227 0.000 1.144 99 F CB 0.599 39.331 39.000 -0.446 0.000 1.133 99 F HN 0.830 9.088 8.300 0.053 0.073 0.495 100 H N 6.287 125.286 119.070 -0.119 0.000 2.460 100 H HA -0.382 4.121 4.556 -0.088 0.000 0.297 100 H C 0.610 175.818 175.328 -0.200 0.000 1.103 100 H CA 3.270 59.274 56.048 -0.072 0.000 1.292 100 H CB 0.364 30.183 29.762 0.096 0.000 1.376 100 H HN -0.500 7.916 8.280 0.226 0.000 0.531 101 A N -3.964 118.713 122.820 -0.238 0.000 2.259 101 A HA -0.080 3.626 4.320 -1.023 0.000 0.208 101 A C -1.344 175.895 177.584 -0.576 0.000 1.201 101 A CA 0.261 51.890 52.037 -0.680 0.000 0.824 101 A CB -0.415 18.186 19.000 -0.666 0.000 0.838 101 A HN 0.065 8.149 8.150 -0.052 0.034 0.485 102 A N -2.719 119.765 122.820 -0.560 0.000 2.313 102 A HA 0.488 4.538 4.320 -0.450 0.000 0.323 102 A C -0.985 176.455 177.584 -0.241 0.000 1.133 102 A CA -1.136 50.578 52.037 -0.538 0.000 0.847 102 A CB 2.040 20.577 19.000 -0.771 0.000 1.308 102 A HN -0.459 7.253 8.150 -0.421 0.186 0.475 103 T N 2.039 116.519 114.554 -0.123 0.000 2.906 103 T HA 0.127 4.424 4.350 -0.089 0.000 0.302 103 T C -0.502 174.180 174.700 -0.030 0.000 1.002 103 T CA 0.182 62.240 62.100 -0.070 0.000 0.988 103 T CB 0.664 69.506 68.868 -0.043 0.000 0.972 103 T HN 0.196 8.391 8.240 -0.074 0.000 0.447 104 G N 4.315 113.095 108.800 -0.033 0.000 2.931 104 G HA2 -0.168 3.788 3.960 -0.008 0.000 0.675 104 G HA3 -0.168 3.796 3.960 0.007 0.000 0.675 104 G C -1.379 173.517 174.900 -0.006 0.000 1.339 104 G CA -0.426 44.669 45.100 -0.009 0.000 0.866 104 G HN -0.184 8.075 8.290 -0.052 0.000 0.616 105 A N 1.708 124.527 122.820 -0.000 0.000 2.971 105 A HA -0.273 4.053 4.320 0.010 0.000 0.280 105 A C 0.065 177.648 177.584 -0.003 0.000 1.430 105 A CA 0.400 52.441 52.037 0.007 0.000 0.749 105 A CB -1.492 17.521 19.000 0.022 0.000 1.038 105 A HN 0.399 8.549 8.150 -0.000 0.000 0.510 106 L N -5.479 115.735 121.223 -0.015 0.000 3.742 106 L HA -0.473 3.845 4.340 -0.036 0.000 0.431 106 L C 0.584 177.425 176.870 -0.048 0.000 1.220 106 L CA 0.704 55.529 54.840 -0.025 0.000 0.863 106 L CB -2.186 39.873 42.059 0.000 0.000 1.751 106 L HN 0.132 8.353 8.230 -0.015 0.000 0.922 107 G N -5.856 102.902 108.800 -0.071 0.000 2.160 107 G HA2 -0.402 3.477 3.960 -0.136 0.000 0.251 107 G HA3 -0.402 3.791 3.960 -0.137 -0.315 0.251 107 G C 0.266 175.142 174.900 -0.039 0.000 1.008 107 G CA 0.268 45.306 45.100 -0.102 0.000 0.724 107 G HN 0.140 8.382 8.290 -0.064 0.009 0.514 108 G N -3.497 105.303 108.800 -0.000 0.000 2.175 108 G HA2 -0.431 3.566 3.960 0.061 0.000 0.244 108 G HA3 -0.431 3.591 3.960 0.102 0.000 0.244 108 G C 0.719 175.655 174.900 0.059 0.000 0.982 108 G CA 0.325 45.460 45.100 0.058 0.000 0.641 108 G HN 0.110 8.239 8.290 -0.008 0.155 0.527 109 G N 1.869 110.690 108.800 0.034 0.000 2.448 109 G HA2 -0.176 3.889 3.960 0.065 0.000 0.218 109 G HA3 -0.176 3.812 3.960 0.046 0.000 0.218 109 G C 1.067 175.996 174.900 0.049 0.000 1.135 109 G CA 1.075 46.204 45.100 0.049 0.000 0.784 109 G HN -0.444 7.679 8.290 0.012 0.174 0.543 110 G N -0.197 108.625 108.800 0.037 0.000 2.650 110 G HA2 0.053 4.032 3.960 0.032 0.000 0.214 110 G HA3 0.053 4.029 3.960 0.027 0.000 0.214 110 G C 0.182 175.106 174.900 0.040 0.000 1.136 110 G CA 0.431 45.551 45.100 0.034 0.000 0.789 110 G HN -0.431 7.853 8.290 0.031 0.025 0.536 111 L N -1.841 119.412 121.223 0.050 0.000 3.014 111 L HA 0.345 4.713 4.340 0.047 0.000 0.263 111 L C -0.714 176.197 176.870 0.068 0.000 1.207 111 L CA -0.859 54.014 54.840 0.054 0.000 1.017 111 L CB 0.177 42.268 42.059 0.054 0.000 1.360 111 L HN -0.907 7.202 8.230 0.054 0.153 0.560 112 T N -5.022 109.578 114.554 0.078 0.000 3.399 112 T HA 0.101 4.507 4.350 0.093 0.000 0.305 112 T C 0.146 174.910 174.700 0.107 0.000 0.983 112 T CA -0.880 61.278 62.100 0.098 0.000 0.967 112 T CB 1.367 70.305 68.868 0.117 0.000 1.186 112 T HN -0.835 7.389 8.240 0.072 0.059 0.504 113 E N 2.835 123.085 120.200 0.084 0.000 2.220 113 E HA 0.229 4.877 4.350 0.097 -0.240 0.272 113 E C -0.752 175.896 176.600 0.080 0.000 1.099 113 E CA -0.018 56.430 56.400 0.079 0.000 0.907 113 E CB -0.082 29.647 29.700 0.049 0.000 1.022 113 E HN -0.074 8.327 8.360 0.069 0.000 0.428 114 I N 0.436 121.068 120.570 0.103 0.000 2.466 114 I HA 0.331 4.544 4.170 0.073 0.000 0.289 114 I C -1.709 174.457 176.117 0.082 0.000 1.026 114 I CA -1.847 59.509 61.300 0.094 0.000 1.078 114 I CB 2.385 40.457 38.000 0.120 0.000 1.249 114 I HN -0.463 7.827 8.210 0.133 0.000 0.429 115 N N 6.363 125.096 118.700 0.054 0.000 2.495 115 N HA 0.398 5.148 4.740 0.017 0.000 0.280 115 N C -2.001 173.538 175.510 0.049 0.000 1.168 115 N CA -1.977 51.093 53.050 0.034 0.000 0.978 115 N CB 0.265 38.764 38.487 0.019 0.000 1.191 115 N HN -0.332 8.313 8.380 0.050 -0.235 0.497 116 P HA -0.567 4.120 4.420 0.070 -0.225 0.259 116 P C 0.468 177.796 177.300 0.046 0.000 1.155 116 P CA 1.645 64.775 63.100 0.051 0.000 0.759 116 P CB -0.349 31.372 31.700 0.035 0.000 0.753 117 G N 3.891 112.722 108.800 0.052 0.000 2.132 117 G HA2 -0.470 3.515 3.960 0.043 0.000 0.234 117 G HA3 -0.470 3.511 3.960 0.036 0.000 0.234 117 G C -1.316 173.612 174.900 0.046 0.000 0.989 117 G CA -0.118 45.008 45.100 0.043 0.000 0.676 117 G HN 0.622 8.859 8.290 0.061 0.090 0.522 118 E N -0.304 119.931 120.200 0.058 0.000 2.314 118 E HA 0.299 4.678 4.350 0.049 0.000 0.272 118 E C -1.987 174.657 176.600 0.074 0.000 0.884 118 E CA -1.119 55.316 56.400 0.059 0.000 0.753 118 E CB 4.130 33.864 29.700 0.056 0.000 1.213 118 E HN -0.510 7.858 8.360 0.068 0.033 0.432 119 K N 1.055 121.495 120.400 0.067 0.000 2.477 119 K HA 0.701 5.147 4.320 0.096 -0.068 0.255 119 K C -1.669 174.971 176.600 0.067 0.000 0.952 119 K CA -1.264 55.069 56.287 0.077 0.000 0.826 119 K CB 3.053 35.594 32.500 0.068 0.000 1.331 119 K HN 0.134 8.417 8.250 0.056 0.000 0.437 120 T N 0.511 115.110 114.554 0.075 0.000 2.716 120 T HA 0.333 4.714 4.350 0.052 0.000 0.286 120 T C -2.042 172.693 174.700 0.060 0.000 1.052 120 T CA -2.514 59.624 62.100 0.063 0.000 1.024 120 T CB 2.464 71.374 68.868 0.071 0.000 1.349 120 T HN 0.319 8.612 8.240 0.089 0.000 0.525 121 I N 1.377 121.978 120.570 0.051 0.000 2.529 121 I HA 0.323 4.713 4.170 0.048 -0.191 0.284 121 I C -1.671 174.475 176.117 0.048 0.000 1.088 121 I CA -0.578 60.747 61.300 0.043 0.000 1.062 121 I CB 2.249 40.263 38.000 0.023 0.000 1.218 121 I HN 0.219 8.458 8.210 0.049 0.000 0.442 122 L N 7.829 129.090 121.223 0.064 0.000 2.322 122 L HA 0.432 4.816 4.340 0.074 0.000 0.281 122 L C -2.409 174.508 176.870 0.079 0.000 1.014 122 L CA -0.881 54.010 54.840 0.086 0.000 0.815 122 L CB 3.804 45.940 42.059 0.128 0.000 1.247 122 L HN 0.086 8.356 8.230 0.067 0.000 0.421 123 R N 6.719 127.263 120.500 0.073 0.000 2.480 123 R HA 0.815 5.368 4.340 -0.057 -0.247 0.306 123 R C -1.313 175.054 176.300 0.113 0.000 0.958 123 R CA -1.290 54.822 56.100 0.020 0.000 0.861 123 R CB 2.309 32.599 30.300 -0.018 0.000 1.171 123 R HN 0.191 8.507 8.270 0.076 0.000 0.445 124 F N 3.295 123.260 119.950 0.025 0.000 2.576 124 F HA 0.417 4.986 4.527 0.071 0.000 0.313 124 F C -2.331 173.473 175.800 0.007 0.000 1.078 124 F CA -2.346 55.668 58.000 0.024 0.000 0.921 124 F CB 3.211 42.176 39.000 -0.057 0.000 1.232 124 F HN 0.426 8.427 8.300 -0.499 0.000 0.459 125 K N 2.337 122.787 120.400 0.083 0.000 2.258 125 K HA 0.003 3.745 4.320 -0.962 0.000 0.284 125 K C -0.591 175.935 176.600 -0.122 0.000 1.051 125 K CA -0.597 55.441 56.287 -0.415 0.000 0.923 125 K CB 0.926 33.173 32.500 -0.421 0.000 1.046 125 K HN 0.425 8.820 8.250 0.241 0.000 0.474 126 A N 7.780 130.437 122.820 -0.272 0.000 2.671 126 A HA 0.384 4.798 4.320 0.157 0.000 0.306 126 A C -0.391 177.123 177.584 -0.117 0.000 1.473 126 A CA -0.783 51.227 52.037 -0.046 0.000 1.155 126 A CB -0.063 18.890 19.000 -0.077 0.000 1.123 126 A HN 0.266 8.092 8.150 -0.541 0.000 0.545 127 T N -1.122 113.379 114.554 -0.087 0.000 3.081 127 T HA 0.013 4.308 4.350 -0.092 0.000 0.250 127 T C 0.043 174.716 174.700 -0.044 0.000 1.100 127 T CA 0.054 62.108 62.100 -0.077 0.000 1.038 127 T CB 0.443 69.277 68.868 -0.058 0.000 0.962 127 T HN -0.040 8.166 8.240 -0.056 0.000 0.516 128 K N 0.612 120.975 120.400 -0.062 0.000 2.427 128 K HA 0.396 4.743 4.320 0.045 0.000 0.252 128 K C -2.920 173.726 176.600 0.077 0.000 0.931 128 K CA -3.388 52.903 56.287 0.006 0.000 0.793 128 K CB 2.475 34.968 32.500 -0.011 0.000 1.211 128 K HN -0.638 7.501 8.250 -0.114 0.044 0.426 129 P HA 0.095 4.846 4.420 0.308 -0.146 0.286 129 P C -1.222 176.294 177.300 0.360 0.000 1.269 129 P CA -1.169 62.138 63.100 0.345 0.000 0.787 129 P CB 0.992 32.914 31.700 0.371 0.000 0.920 130 G N 1.522 110.464 108.800 0.236 0.000 2.337 130 G HA2 -0.087 2.766 3.960 -1.844 0.000 0.310 130 G HA3 -0.087 3.704 3.960 -0.455 -0.104 0.310 130 G C -2.313 172.450 174.900 -0.227 0.000 1.534 130 G CA -0.107 44.673 45.100 -0.533 0.000 0.982 130 G HN 0.048 8.562 8.290 0.374 0.000 0.672 131 V N -3.240 116.277 119.914 -0.661 0.000 2.686 131 V HA 0.737 5.012 4.120 -0.061 -0.193 0.295 131 V C -1.502 174.213 176.094 -0.632 0.000 1.055 131 V CA -0.654 61.431 62.300 -0.357 0.000 1.050 131 V CB 0.659 32.283 31.823 -0.332 0.000 0.984 131 V HN -0.498 7.145 8.190 -0.912 0.000 0.482 132 F N 2.497 122.369 119.950 -0.131 0.000 2.626 132 F HA 0.344 4.796 4.527 -0.125 0.000 0.311 132 F C -1.378 174.336 175.800 -0.143 0.000 1.088 132 F CA -1.370 56.566 58.000 -0.106 0.000 0.949 132 F CB 4.472 43.458 39.000 -0.024 0.000 1.322 132 F HN 0.326 8.723 8.300 0.162 0.000 0.461 133 V N 0.919 120.769 119.914 -0.107 0.000 2.394 133 V HA 0.149 4.260 4.120 -0.237 -0.133 0.282 133 V C -0.930 174.991 176.094 -0.288 0.000 1.031 133 V CA -0.823 61.318 62.300 -0.265 0.000 0.881 133 V CB 1.811 33.433 31.823 -0.336 0.000 0.982 133 V HN 0.555 8.624 8.190 -0.203 0.000 0.451 134 Y N 4.973 125.147 120.300 -0.210 0.000 2.453 134 Y HA 0.781 5.133 4.550 -0.602 -0.164 0.326 134 Y C -1.002 174.680 175.900 -0.362 0.000 1.186 134 Y CA -3.229 54.552 58.100 -0.532 0.000 1.200 134 Y CB 2.468 40.333 38.460 -0.991 0.000 1.247 134 Y HN -0.357 7.524 8.280 -0.666 0.000 0.482 135 H N -4.177 114.849 119.070 -0.072 0.000 3.114 135 H HA 0.325 5.090 4.556 0.155 -0.116 0.325 135 H C -1.451 173.954 175.328 0.128 0.000 1.206 135 H CA -1.305 54.775 56.048 0.054 0.000 1.316 135 H CB 0.381 30.140 29.762 -0.005 0.000 1.981 135 H HN -0.073 7.893 8.280 -0.524 0.000 0.527 136 C N 3.369 122.986 119.300 0.528 0.000 2.652 136 C HA 0.545 5.552 4.460 0.370 -0.325 0.412 136 C C -0.411 174.761 174.990 0.303 0.000 1.294 136 C CA -1.190 58.098 59.018 0.449 0.000 2.127 136 C CB -0.183 27.884 27.740 0.546 0.000 2.691 136 C HN 0.003 8.592 8.230 0.598 0.000 0.615 137 A N 7.400 130.331 122.820 0.186 0.000 3.307 137 A HA 0.415 4.745 4.320 0.017 0.000 0.289 137 A C -3.434 174.140 177.584 -0.016 0.000 1.138 137 A CA -1.438 50.641 52.037 0.070 0.000 0.860 137 A CB 0.583 19.670 19.000 0.144 0.000 1.318 137 A HN 1.048 9.985 8.150 0.181 -0.679 0.551 138 P HA 0.275 4.656 4.420 -0.065 0.000 0.271 138 P C -2.291 174.961 177.300 -0.081 0.000 1.233 138 P CA -1.519 61.493 63.100 -0.146 0.000 0.764 138 P CB -0.198 31.312 31.700 -0.317 0.000 0.825 139 P HA -0.333 4.088 4.420 0.002 0.000 0.255 139 P C 0.499 177.797 177.300 -0.003 0.000 1.161 139 P CA 1.627 64.722 63.100 -0.007 0.000 0.768 139 P CB -0.394 31.305 31.700 -0.001 0.000 0.746 140 G N 3.139 111.948 108.800 0.015 0.000 2.234 140 G HA2 -0.254 3.726 3.960 0.034 0.000 0.235 140 G HA3 -0.254 3.717 3.960 0.018 0.000 0.235 140 G C -0.409 174.537 174.900 0.075 0.000 0.997 140 G CA -0.118 45.001 45.100 0.032 0.000 0.623 140 G HN 0.287 8.588 8.290 0.018 0.000 0.514 141 M N -0.733 118.916 119.600 0.082 0.000 3.637 141 M HA 0.330 4.989 4.480 0.299 0.000 0.452 141 M C -0.649 175.768 176.300 0.196 0.000 1.718 141 M CA -0.521 54.917 55.300 0.229 0.000 0.690 141 M CB 0.683 33.478 32.600 0.324 0.000 1.448 141 M HN 0.117 8.347 8.290 0.021 0.073 0.524 142 V N 4.430 124.407 119.914 0.105 0.000 2.221 142 V HA -0.166 3.958 4.120 0.006 0.000 0.242 142 V C -0.583 175.589 176.094 0.131 0.000 1.041 142 V CA 5.710 68.047 62.300 0.062 0.000 0.995 142 V CB -2.757 29.078 31.823 0.020 0.000 0.635 142 V HN 0.314 8.557 8.190 0.088 0.000 0.448 143 P HA -0.182 4.257 4.420 0.032 0.000 0.217 143 P C 1.345 178.779 177.300 0.223 0.000 1.151 143 P CA 2.957 66.117 63.100 0.100 0.000 0.849 143 P CB -0.256 31.473 31.700 0.050 0.000 0.787 144 W N -2.980 118.396 121.300 0.128 0.000 2.379 144 W HA -0.223 4.491 4.660 0.090 0.000 0.307 144 W C 1.295 177.940 176.519 0.211 0.000 1.200 144 W CA 3.055 60.506 57.345 0.176 0.000 1.297 144 W CB -0.681 28.968 29.460 0.315 0.000 1.140 144 W HN -0.098 8.338 8.180 0.468 0.024 0.507 145 H N -0.847 118.250 119.070 0.044 0.000 2.387 145 H HA -0.260 4.098 4.556 -0.331 0.000 0.299 145 H C 2.465 177.760 175.328 -0.055 0.000 1.090 145 H CA 3.548 59.529 56.048 -0.111 0.000 1.332 145 H CB 0.311 30.099 29.762 0.042 0.000 1.386 145 H HN -0.811 7.857 8.280 0.646 0.000 0.516 146 V N -1.847 118.140 119.914 0.122 0.000 2.323 146 V HA -0.336 3.824 4.120 0.067 0.000 0.244 146 V C 2.775 178.889 176.094 0.033 0.000 1.041 146 V CA 4.114 66.441 62.300 0.044 0.000 1.025 146 V CB 0.076 31.870 31.823 -0.049 0.000 0.656 146 V HN -0.330 7.953 8.190 0.156 0.000 0.451 147 V N -3.283 116.674 119.914 0.072 0.000 2.490 147 V HA -0.278 3.866 4.120 0.041 0.000 0.250 147 V C 1.427 177.645 176.094 0.206 0.000 1.061 147 V CA 3.307 65.683 62.300 0.126 0.000 1.064 147 V CB -0.449 31.524 31.823 0.251 0.000 0.670 147 V HN -0.234 8.012 8.190 0.093 0.000 0.461 148 S N -0.910 114.857 115.700 0.111 0.000 2.595 148 S HA -0.149 4.465 4.470 0.240 0.000 0.235 148 S C 0.080 174.807 174.600 0.213 0.000 0.974 148 S CA 1.806 60.065 58.200 0.098 0.000 0.942 148 S CB -0.222 62.793 63.200 -0.307 0.000 0.766 148 S HN -0.203 8.092 8.310 0.003 0.018 0.536 149 G N -1.591 107.309 108.800 0.168 0.000 2.141 149 G HA2 -0.359 3.888 3.960 0.076 0.000 0.195 149 G HA3 -0.359 3.740 3.960 0.232 0.000 0.195 149 G C -0.925 174.017 174.900 0.070 0.000 1.012 149 G CA 0.019 45.204 45.100 0.142 0.000 0.696 149 G HN -0.190 7.945 8.290 0.095 0.212 0.508 150 M N 2.898 122.527 119.600 0.048 0.000 3.512 150 M HA 0.126 4.713 4.480 0.047 -0.079 0.231 150 M C -2.438 174.032 176.300 0.284 0.000 1.345 150 M CA -0.876 54.480 55.300 0.093 0.000 1.504 150 M CB -0.672 31.927 32.600 -0.001 0.000 1.074 150 M HN -0.625 7.688 8.290 0.039 0.000 0.615 151 N N -2.355 116.487 118.700 0.237 0.000 2.815 151 N HA 0.348 5.212 4.740 0.042 -0.098 0.253 151 N C -1.880 173.471 175.510 -0.265 0.000 1.202 151 N CA -0.434 52.621 53.050 0.009 0.000 0.925 151 N CB 3.026 41.513 38.487 -0.001 0.000 1.622 151 N HN -0.635 7.823 8.380 0.210 0.049 0.497 152 G N -1.423 106.625 108.800 -1.254 0.000 3.100 152 G HA2 0.308 4.224 3.960 -0.074 0.000 0.174 152 G HA3 0.308 4.080 3.960 -0.313 0.000 0.174 152 G C -2.709 171.648 174.900 -0.905 0.000 1.136 152 G CA -0.706 43.918 45.100 -0.794 0.000 0.881 152 G HN 0.404 7.345 8.290 -2.249 0.000 0.616 153 A N -1.176 121.438 122.820 -0.344 0.000 2.583 153 A HA 0.459 4.842 4.320 -0.076 -0.110 0.298 153 A C -2.573 175.014 177.584 0.006 0.000 1.055 153 A CA -0.301 51.631 52.037 -0.175 0.000 0.714 153 A CB 2.617 21.385 19.000 -0.386 0.000 1.277 153 A HN -0.249 8.056 8.150 0.258 0.000 0.406 154 I N -3.635 117.010 120.570 0.126 0.000 2.693 154 I HA 0.910 5.170 4.170 -0.046 -0.118 0.303 154 I C -2.466 173.661 176.117 0.017 0.000 1.025 154 I CA -2.535 58.791 61.300 0.043 0.000 1.086 154 I CB 4.099 42.152 38.000 0.089 0.000 1.268 154 I HN 0.433 8.762 8.210 0.198 0.000 0.440 155 M N 3.966 123.536 119.600 -0.049 0.000 2.078 155 M HA 0.407 4.907 4.480 0.033 0.000 0.320 155 M C -2.176 174.129 176.300 0.008 0.000 0.969 155 M CA -1.165 54.123 55.300 -0.020 0.000 0.929 155 M CB 2.724 35.263 32.600 -0.102 0.000 1.504 155 M HN 0.579 8.812 8.290 -0.095 0.000 0.419 156 V N 8.354 128.335 119.914 0.113 0.000 2.320 156 V HA 0.396 4.763 4.120 -0.021 -0.260 0.265 156 V C -1.001 175.196 176.094 0.173 0.000 1.048 156 V CA -0.837 61.510 62.300 0.079 0.000 0.865 156 V CB 0.156 32.030 31.823 0.084 0.000 1.043 156 V HN -0.037 8.274 8.190 0.200 0.000 0.474 157 L N 8.730 129.943 121.223 -0.017 0.000 2.350 157 L HA 0.288 4.690 4.340 0.103 0.000 0.275 157 L C -1.747 175.099 176.870 -0.039 0.000 1.099 157 L CA -2.509 52.295 54.840 -0.061 0.000 0.808 157 L CB 0.309 42.228 42.059 -0.233 0.000 1.149 157 L HN 0.405 8.511 8.230 -0.206 0.000 0.442 158 P HA -0.066 4.380 4.420 0.044 0.000 0.263 158 P C 0.625 177.992 177.300 0.112 0.000 1.175 158 P CA 0.346 63.438 63.100 -0.013 0.000 0.761 158 P CB 0.247 31.869 31.700 -0.131 0.000 0.794 159 R N 3.773 124.343 120.500 0.117 0.000 2.139 159 R HA -0.436 3.995 4.340 0.152 0.000 0.243 159 R C 1.497 177.823 176.300 0.044 0.000 1.145 159 R CA 4.257 60.413 56.100 0.092 0.000 0.976 159 R CB -0.250 30.053 30.300 0.005 0.000 0.866 159 R HN 0.700 9.015 8.270 0.076 0.000 0.449 160 E N -4.678 115.535 120.200 0.022 0.000 2.403 160 E HA 0.020 4.381 4.350 0.019 0.000 0.188 160 E C 0.118 176.795 176.600 0.128 0.000 1.056 160 E CA -0.603 55.814 56.400 0.028 0.000 0.892 160 E CB -0.581 29.082 29.700 -0.062 0.000 1.049 160 E HN -0.032 8.306 8.360 0.002 0.023 0.465 161 G N -1.210 107.641 108.800 0.086 0.000 2.660 161 G HA2 -0.314 3.763 3.960 0.006 0.000 0.215 161 G HA3 -0.314 3.656 3.960 0.016 0.000 0.215 161 G C -1.441 173.426 174.900 -0.056 0.000 1.345 161 G CA -0.429 44.684 45.100 0.021 0.000 0.877 161 G HN -0.038 8.118 8.290 0.097 0.192 0.549 162 L N 1.290 122.405 121.223 -0.179 0.000 2.322 162 L HA 0.344 4.437 4.340 -0.411 0.000 0.279 162 L C -0.710 176.062 176.870 -0.164 0.000 1.036 162 L CA -0.599 54.074 54.840 -0.278 0.000 0.807 162 L CB 1.580 43.404 42.059 -0.392 0.000 1.226 162 L HN 0.285 8.407 8.230 -0.180 0.000 0.433 163 H N 0.637 119.649 119.070 -0.097 0.000 2.865 163 H HA 0.727 5.399 4.556 -0.098 -0.176 0.372 163 H C -0.573 174.800 175.328 0.075 0.000 1.173 163 H CA -1.575 54.447 56.048 -0.042 0.000 1.147 163 H CB 4.076 33.809 29.762 -0.048 0.000 1.805 163 H HN 0.172 8.532 8.280 0.134 0.000 0.553 164 D N 1.087 121.518 120.400 0.052 0.000 2.289 164 D HA -0.056 4.594 4.640 0.017 0.000 0.266 164 D C 1.614 177.992 176.300 0.129 0.000 1.243 164 D CA -1.149 52.851 54.000 -0.001 0.000 1.019 164 D CB 0.394 41.074 40.800 -0.201 0.000 1.126 164 D HN 0.066 8.410 8.370 -0.043 0.000 0.541 165 G N -3.747 105.110 108.800 0.095 0.000 2.920 165 G HA2 -0.152 3.898 3.960 0.150 0.000 0.208 165 G HA3 -0.152 3.860 3.960 0.086 0.000 0.208 165 G C 0.213 175.158 174.900 0.075 0.000 1.159 165 G CA 1.216 46.379 45.100 0.106 0.000 0.784 165 G HN 0.404 8.733 8.290 0.065 0.000 0.535 166 K N -1.193 119.241 120.400 0.058 0.000 2.374 166 K HA 0.187 4.530 4.320 0.039 0.000 0.202 166 K C 0.240 176.864 176.600 0.039 0.000 1.040 166 K CA -1.121 55.190 56.287 0.041 0.000 1.085 166 K CB 1.223 33.741 32.500 0.029 0.000 0.873 166 K HN -0.261 8.295 8.250 0.052 -0.274 0.539 167 G N -1.636 107.200 108.800 0.060 0.000 2.231 167 G HA2 -0.365 3.615 3.960 0.034 0.000 0.206 167 G HA3 -0.365 3.610 3.960 0.025 0.000 0.206 167 G C -0.716 174.273 174.900 0.149 0.000 0.996 167 G CA -0.270 44.866 45.100 0.059 0.000 0.645 167 G HN 0.069 8.611 8.290 0.079 -0.204 0.498 168 K N 2.412 122.865 120.400 0.088 0.000 2.382 168 K HA -0.046 4.309 4.320 0.058 0.000 0.275 168 K C -1.167 175.418 176.600 -0.025 0.000 1.009 168 K CA -0.005 56.303 56.287 0.035 0.000 0.970 168 K CB 1.111 33.573 32.500 -0.063 0.000 0.934 168 K HN -0.398 8.173 8.250 0.045 -0.294 0.479 169 A N 4.358 127.069 122.820 -0.182 0.000 2.366 169 A HA 0.154 3.414 4.320 -1.941 -0.105 0.272 169 A C -0.675 176.579 177.584 -0.549 0.000 1.135 169 A CA 0.010 51.558 52.037 -0.814 0.000 0.804 169 A CB 0.633 19.294 19.000 -0.565 0.000 1.064 169 A HN 0.293 8.396 8.150 -0.078 0.000 0.499 170 L N 5.611 126.483 121.223 -0.585 0.000 2.316 170 L HA 0.228 4.264 4.340 -0.507 0.000 0.280 170 L C -1.412 175.266 176.870 -0.321 0.000 1.006 170 L CA -0.750 53.797 54.840 -0.489 0.000 0.836 170 L CB 1.398 43.138 42.059 -0.532 0.000 1.221 170 L HN 0.763 8.438 8.230 -0.738 0.113 0.418 171 T N 5.147 119.563 114.554 -0.229 0.000 2.792 171 T HA 0.524 4.892 4.350 -0.318 -0.208 0.280 171 T C -0.869 173.905 174.700 0.124 0.000 0.990 171 T CA -1.202 60.788 62.100 -0.183 0.000 0.960 171 T CB 1.971 70.709 68.868 -0.218 0.000 0.939 171 T HN 0.153 8.243 8.240 -0.249 0.000 0.439 172 Y N 3.008 123.537 120.300 0.383 0.000 2.334 172 Y HA 0.096 4.944 4.550 0.496 0.000 0.328 172 Y C -1.213 174.741 175.900 0.090 0.000 1.130 172 Y CA -2.095 56.205 58.100 0.333 0.000 1.163 172 Y CB 0.411 38.946 38.460 0.126 0.000 1.207 172 Y HN 0.389 8.257 8.280 -0.896 -0.126 0.471 173 D N 3.496 124.013 120.400 0.196 0.000 2.194 173 D HA -0.090 4.576 4.640 0.043 0.000 0.204 173 D C -0.288 176.086 176.300 0.124 0.000 0.964 173 D CA 2.560 56.621 54.000 0.103 0.000 0.846 173 D CB 0.610 41.456 40.800 0.077 0.000 0.962 173 D HN 0.281 8.667 8.370 0.187 0.096 0.490 174 K N -4.288 116.190 120.400 0.131 0.000 2.509 174 K HA 0.415 4.735 4.320 0.001 0.000 0.266 174 K C -2.536 173.979 176.600 -0.142 0.000 0.987 174 K CA -1.273 55.004 56.287 -0.016 0.000 0.868 174 K CB 3.936 36.383 32.500 -0.089 0.000 1.421 174 K HN -0.528 7.796 8.250 0.124 0.000 0.444 175 I N 0.200 120.556 120.570 -0.355 0.000 2.644 175 I HA 0.694 4.862 4.170 -0.316 -0.187 0.291 175 I C -2.891 172.934 176.117 -0.488 0.000 1.180 175 I CA -0.680 60.385 61.300 -0.392 0.000 1.040 175 I CB 2.996 40.734 38.000 -0.436 0.000 1.255 175 I HN 0.010 7.974 8.210 -0.409 0.000 0.422 176 Y N 5.596 125.878 120.300 -0.029 0.000 2.485 176 Y HA 0.556 5.227 4.550 -0.043 -0.147 0.345 176 Y C -1.833 174.074 175.900 0.013 0.000 0.998 176 Y CA -2.468 55.609 58.100 -0.038 0.000 1.059 176 Y CB 3.570 41.987 38.460 -0.071 0.000 1.234 176 Y HN 0.035 8.312 8.280 -0.005 0.000 0.461 177 Y N 3.090 123.419 120.300 0.048 0.000 2.345 177 Y HA 0.496 5.192 4.550 -0.059 -0.182 0.331 177 Y C -2.279 173.560 175.900 -0.102 0.000 0.959 177 Y CA -2.841 55.235 58.100 -0.039 0.000 1.204 177 Y CB 1.590 40.038 38.460 -0.019 0.000 1.135 177 Y HN 0.740 9.046 8.280 0.240 0.118 0.477 178 V N 9.800 129.373 119.914 -0.568 0.000 2.311 178 V HA 0.205 3.911 4.120 -0.691 0.000 0.275 178 V C -1.192 174.220 176.094 -1.137 0.000 1.022 178 V CA -1.572 60.247 62.300 -0.802 0.000 0.830 178 V CB 0.699 32.133 31.823 -0.648 0.000 1.012 178 V HN 0.626 8.671 8.190 -0.241 0.000 0.452 179 G N 7.080 115.246 108.800 -1.056 0.000 2.325 179 G HA2 0.216 4.005 3.960 -0.482 0.000 0.298 179 G HA3 0.216 3.894 3.960 -0.469 0.000 0.298 179 G C -2.363 172.395 174.900 -0.237 0.000 1.134 179 G CA -1.393 43.347 45.100 -0.601 0.000 0.876 179 G HN 0.212 7.908 8.290 -0.991 0.000 0.452 180 E N 5.427 125.603 120.200 -0.039 0.000 2.242 180 E HA 0.797 5.695 4.350 0.541 -0.223 0.275 180 E C -1.634 175.002 176.600 0.060 0.000 1.002 180 E CA -1.718 54.876 56.400 0.323 0.000 0.841 180 E CB 3.420 33.559 29.700 0.732 0.000 1.109 180 E HN 0.169 8.492 8.360 -0.061 0.000 0.394 181 Q N 4.665 124.419 119.800 -0.077 0.000 2.263 181 Q HA 0.344 4.526 4.340 -0.263 0.000 0.266 181 Q C -2.373 173.306 176.000 -0.535 0.000 1.002 181 Q CA -1.029 54.563 55.803 -0.352 0.000 0.790 181 Q CB 3.920 32.349 28.738 -0.514 0.000 1.272 181 Q HN 0.466 8.704 8.270 -0.054 0.000 0.435 182 D N 5.577 125.715 120.400 -0.437 0.000 2.317 182 D HA 0.253 4.833 4.640 -0.371 -0.163 0.234 182 D C -1.361 174.617 176.300 -0.537 0.000 1.112 182 D CA -1.144 52.610 54.000 -0.409 0.000 0.840 182 D CB 0.121 40.794 40.800 -0.210 0.000 1.078 182 D HN 0.066 8.255 8.370 -0.302 0.000 0.486 183 F N 1.008 120.801 119.950 -0.262 0.000 2.403 183 F HA 0.158 4.741 4.527 0.093 0.000 0.326 183 F C -1.372 174.128 175.800 -0.500 0.000 1.099 183 F CA -0.933 56.972 58.000 -0.159 0.000 1.036 183 F CB 3.599 42.525 39.000 -0.124 0.000 1.336 183 F HN 0.274 8.432 8.300 -0.237 0.000 0.497 184 Y N -3.236 117.242 120.300 0.297 0.000 2.484 184 Y HA 0.064 4.738 4.550 0.206 0.000 0.348 184 Y C -1.691 174.311 175.900 0.170 0.000 1.103 184 Y CA -0.967 57.253 58.100 0.199 0.000 1.317 184 Y CB 0.581 39.129 38.460 0.146 0.000 1.096 184 Y HN 0.074 8.687 8.280 0.556 0.000 0.568 185 V N 3.651 123.703 119.914 0.230 0.000 2.407 185 V HA 0.258 4.483 4.120 0.175 0.000 0.278 185 V C -1.952 174.319 176.094 0.296 0.000 1.037 185 V CA -3.867 58.539 62.300 0.177 0.000 0.900 185 V CB 0.760 32.527 31.823 -0.095 0.000 0.983 185 V HN -0.173 8.139 8.190 0.203 0.000 0.459 186 P HA 0.058 4.610 4.420 0.220 0.000 0.268 186 P C -1.619 175.846 177.300 0.276 0.000 1.205 186 P CA 0.092 63.353 63.100 0.269 0.000 0.771 186 P CB 0.499 32.378 31.700 0.299 0.000 0.858 187 R N 0.962 121.571 120.500 0.183 0.000 2.803 187 R HA 0.701 5.257 4.340 0.101 -0.155 0.276 187 R C -0.171 176.158 176.300 0.049 0.000 0.978 187 R CA -1.511 54.643 56.100 0.089 0.000 0.939 187 R CB 3.591 33.891 30.300 0.001 0.000 1.179 187 R HN 0.010 8.374 8.270 0.157 0.000 0.472 188 D N 1.985 122.389 120.400 0.008 0.000 2.376 188 D HA -0.057 4.595 4.640 0.020 0.000 0.281 188 D C 1.556 177.851 176.300 -0.008 0.000 1.215 188 D CA -1.347 52.654 54.000 0.001 0.000 1.062 188 D CB 0.281 41.069 40.800 -0.019 0.000 1.124 188 D HN 0.460 8.821 8.370 -0.016 0.000 0.550 189 E N -2.164 118.030 120.200 -0.011 0.000 2.107 189 E HA -0.198 4.147 4.350 -0.008 0.000 0.191 189 E C 0.376 176.961 176.600 -0.025 0.000 0.982 189 E CA 2.408 58.801 56.400 -0.013 0.000 0.809 189 E CB -0.700 28.994 29.700 -0.010 0.000 0.756 189 E HN 0.186 8.540 8.360 -0.010 0.000 0.459 190 N N -2.416 116.264 118.700 -0.033 0.000 2.575 190 N HA -0.067 4.651 4.740 -0.036 0.000 0.192 190 N C -0.160 175.312 175.510 -0.064 0.000 1.200 190 N CA -0.105 52.920 53.050 -0.042 0.000 0.897 190 N CB -0.316 38.146 38.487 -0.042 0.000 0.990 190 N HN -0.080 8.352 8.380 -0.030 -0.071 0.449 191 G N -2.158 106.599 108.800 -0.072 0.000 2.148 191 G HA2 -0.451 3.451 3.960 -0.096 0.000 0.254 191 G HA3 -0.451 3.445 3.960 -0.106 0.000 0.254 191 G C -0.533 174.241 174.900 -0.211 0.000 0.981 191 G CA 0.644 45.676 45.100 -0.114 0.000 0.670 191 G HN -0.534 7.574 8.290 -0.053 0.151 0.528 192 K N 0.282 120.576 120.400 -0.176 0.000 2.118 192 K HA 0.324 4.428 4.320 -0.360 0.000 0.267 192 K C -0.116 176.364 176.600 -0.200 0.000 0.991 192 K CA -2.313 53.836 56.287 -0.231 0.000 0.916 192 K CB 1.118 33.555 32.500 -0.106 0.000 1.041 192 K HN -0.331 8.097 8.250 -0.112 -0.245 0.455 193 Y N 0.399 120.710 120.300 0.018 0.000 2.578 193 Y HA -0.004 4.718 4.550 0.043 -0.146 0.339 193 Y C 1.261 177.148 175.900 -0.021 0.000 1.231 193 Y CA 1.531 59.641 58.100 0.015 0.000 1.461 193 Y CB 0.242 38.698 38.460 -0.006 0.000 1.323 193 Y HN 0.201 8.253 8.280 -0.380 0.000 0.590 194 K N 3.085 123.580 120.400 0.158 0.000 2.123 194 K HA 0.190 4.453 4.320 -0.095 0.000 0.259 194 K C -0.761 175.739 176.600 -0.168 0.000 0.960 194 K CA -0.861 55.384 56.287 -0.071 0.000 0.872 194 K CB 1.735 34.149 32.500 -0.143 0.000 1.079 194 K HN 0.328 8.734 8.250 0.259 0.000 0.440 195 K N 1.205 121.410 120.400 -0.325 0.000 2.208 195 K HA 0.213 4.543 4.320 0.016 0.000 0.247 195 K C -0.696 175.638 176.600 -0.444 0.000 0.953 195 K CA -0.750 55.419 56.287 -0.197 0.000 0.837 195 K CB 1.725 34.178 32.500 -0.077 0.000 1.131 195 K HN -0.011 8.048 8.250 -0.318 0.000 0.431 196 Y N -0.994 119.410 120.300 0.173 0.000 2.693 196 Y HA 0.279 4.891 4.550 0.105 0.000 0.331 196 Y C 1.074 177.104 175.900 0.217 0.000 1.092 196 Y CA -1.599 56.601 58.100 0.167 0.000 1.131 196 Y CB 3.030 41.575 38.460 0.141 0.000 1.318 196 Y HN 0.401 8.953 8.280 0.454 0.000 0.510 197 E N 0.637 121.007 120.200 0.284 0.000 2.079 197 E HA -0.029 4.441 4.350 0.200 0.000 0.191 197 E C -0.433 176.232 176.600 0.108 0.000 0.961 197 E CA 1.177 57.687 56.400 0.183 0.000 0.823 197 E CB 1.127 30.891 29.700 0.107 0.000 0.789 197 E HN 0.539 9.068 8.360 0.281 0.000 0.459 198 A N -2.353 120.443 122.820 -0.040 0.000 2.384 198 A HA 0.563 4.746 4.320 -0.228 0.000 0.312 198 A C -2.059 175.238 177.584 -0.478 0.000 1.113 198 A CA -2.822 49.081 52.037 -0.224 0.000 0.779 198 A CB 0.503 19.461 19.000 -0.071 0.000 1.307 198 A HN -0.811 7.557 8.150 0.030 -0.200 0.436 199 P HA -0.214 3.959 4.420 -0.411 0.000 0.217 199 P C 1.312 178.678 177.300 0.111 0.000 1.148 199 P CA 1.961 64.918 63.100 -0.238 0.000 0.828 199 P CB 0.349 32.019 31.700 -0.049 0.000 0.783 200 G N -3.346 105.488 108.800 0.058 0.000 2.422 200 G HA2 -0.270 3.715 3.960 0.042 0.000 0.218 200 G HA3 -0.270 3.684 3.960 -0.009 0.000 0.218 200 G C 0.893 175.754 174.900 -0.065 0.000 1.140 200 G CA 1.354 46.466 45.100 0.020 0.000 0.775 200 G HN 0.492 8.759 8.290 -0.004 0.020 0.545 201 D N 1.656 122.011 120.400 -0.076 0.000 2.310 201 D HA -0.145 4.477 4.640 -0.030 0.000 0.212 201 D C 0.210 176.316 176.300 -0.324 0.000 0.965 201 D CA 1.943 55.902 54.000 -0.069 0.000 0.879 201 D CB -0.447 40.407 40.800 0.090 0.000 0.921 201 D HN -0.452 7.876 8.370 -0.071 0.000 0.510 202 A N -3.841 118.686 122.820 -0.488 0.000 2.500 202 A HA 0.185 3.740 4.320 -1.275 0.000 0.267 202 A C -0.260 177.112 177.584 -0.353 0.000 1.290 202 A CA -0.631 50.909 52.037 -0.828 0.000 0.928 202 A CB -0.087 18.407 19.000 -0.843 0.000 1.066 202 A HN -0.632 7.308 8.150 -0.269 0.049 0.516 203 Y N 1.537 121.562 120.300 -0.458 0.000 2.176 203 Y HA -0.433 3.522 4.550 -0.992 0.000 0.291 203 Y C 0.944 176.561 175.900 -0.472 0.000 1.122 203 Y CA 4.151 61.816 58.100 -0.725 0.000 1.128 203 Y CB 0.646 38.563 38.460 -0.905 0.000 1.005 203 Y HN -0.482 7.522 8.280 -0.181 0.167 0.509 204 E N -2.492 117.522 120.200 -0.309 0.000 2.072 204 E HA -0.349 3.751 4.350 -0.416 0.000 0.191 204 E C 2.340 178.787 176.600 -0.255 0.000 0.985 204 E CA 3.111 59.340 56.400 -0.285 0.000 0.801 204 E CB -0.944 28.703 29.700 -0.088 0.000 0.750 204 E HN 0.238 8.529 8.360 -0.115 0.000 0.452 205 D N -1.664 118.629 120.400 -0.179 0.000 2.178 205 D HA -0.136 4.479 4.640 -0.041 0.000 0.202 205 D C 2.111 178.358 176.300 -0.088 0.000 0.974 205 D CA 3.012 56.967 54.000 -0.075 0.000 0.841 205 D CB -0.467 40.352 40.800 0.031 0.000 0.953 205 D HN 0.422 8.683 8.370 -0.182 0.000 0.478 206 T N 3.531 117.981 114.554 -0.174 0.000 2.770 206 T HA -0.264 4.110 4.350 0.039 0.000 0.263 206 T C 1.708 176.303 174.700 -0.175 0.000 1.039 206 T CA 4.646 66.691 62.100 -0.092 0.000 1.142 206 T CB 0.218 69.056 68.868 -0.050 0.000 0.868 206 T HN -0.829 7.232 8.240 -0.270 0.016 0.435 207 V N 2.325 122.002 119.914 -0.395 0.000 2.278 207 V HA -0.596 3.317 4.120 -0.345 0.000 0.251 207 V C 1.449 177.419 176.094 -0.206 0.000 1.062 207 V CA 4.719 66.792 62.300 -0.378 0.000 1.038 207 V CB -0.408 31.089 31.823 -0.544 0.000 0.646 207 V HN -0.096 7.740 8.190 -0.591 0.000 0.447 208 K N -0.669 119.637 120.400 -0.157 0.000 2.044 208 K HA -0.364 3.911 4.320 -0.075 0.000 0.210 208 K C 2.204 178.789 176.600 -0.026 0.000 1.049 208 K CA 3.894 60.137 56.287 -0.073 0.000 0.927 208 K CB -0.230 32.245 32.500 -0.042 0.000 0.713 208 K HN -0.719 7.419 8.250 -0.190 -0.002 0.443 209 V N -1.005 118.918 119.914 0.015 0.000 2.358 209 V HA -0.448 3.744 4.120 0.121 0.000 0.246 209 V C 2.365 178.508 176.094 0.080 0.000 1.047 209 V CA 3.860 66.229 62.300 0.115 0.000 1.035 209 V CB -0.042 31.913 31.823 0.220 0.000 0.658 209 V HN -0.799 7.315 8.190 0.001 0.076 0.452 210 M N -0.538 118.991 119.600 -0.118 0.000 2.213 210 M HA -0.479 3.384 4.480 -1.027 0.000 0.263 210 M C 2.580 178.736 176.300 -0.240 0.000 1.062 210 M CA 4.382 59.402 55.300 -0.467 0.000 1.105 210 M CB -0.438 31.884 32.600 -0.464 0.000 1.385 210 M HN 0.398 8.556 8.290 -0.102 0.071 0.417 211 R N -1.181 119.244 120.500 -0.125 0.000 2.092 211 R HA -0.231 4.060 4.340 -0.082 0.000 0.231 211 R C 1.515 177.803 176.300 -0.019 0.000 1.119 211 R CA 3.252 59.309 56.100 -0.071 0.000 0.970 211 R CB -0.110 30.157 30.300 -0.055 0.000 0.864 211 R HN 0.095 8.188 8.270 -0.116 0.107 0.440 212 T N -2.256 112.308 114.554 0.018 0.000 3.077 212 T HA -0.130 4.243 4.350 0.039 0.000 0.269 212 T C 0.264 175.015 174.700 0.085 0.000 1.146 212 T CA 1.133 63.268 62.100 0.057 0.000 1.091 212 T CB -0.242 68.679 68.868 0.088 0.000 0.892 212 T HN -0.531 7.614 8.240 0.017 0.105 0.533 213 L N -3.588 117.689 121.223 0.089 0.000 3.839 213 L HA -0.389 4.032 4.340 0.136 0.000 0.416 213 L C -0.941 176.054 176.870 0.209 0.000 1.195 213 L CA 1.269 56.190 54.840 0.135 0.000 0.946 213 L CB -2.433 39.670 42.059 0.074 0.000 1.891 213 L HN -0.429 7.623 8.230 0.032 0.198 0.963 214 T N 0.477 115.206 114.554 0.291 0.000 3.008 214 T HA 0.299 4.723 4.350 0.123 0.000 0.328 214 T C -2.337 172.445 174.700 0.136 0.000 1.020 214 T CA -2.456 59.752 62.100 0.179 0.000 1.043 214 T CB 1.165 70.100 68.868 0.111 0.000 1.010 214 T HN -0.645 7.787 8.240 0.353 0.019 0.466 215 P HA 0.126 3.880 4.420 -1.311 -0.121 0.271 215 P C 0.452 177.625 177.300 -0.213 0.000 1.220 215 P CA -0.821 61.913 63.100 -0.609 0.000 0.768 215 P CB 0.778 32.093 31.700 -0.641 0.000 0.848 216 T N -2.079 112.443 114.554 -0.053 0.000 2.995 216 T HA -0.190 4.185 4.350 0.042 0.000 0.269 216 T C -0.152 174.526 174.700 -0.038 0.000 1.091 216 T CA 1.860 64.060 62.100 0.166 0.000 1.128 216 T CB 0.735 69.931 68.868 0.547 0.000 0.891 216 T HN -0.079 8.093 8.240 -0.114 0.000 0.492 217 H N -0.998 118.005 119.070 -0.113 0.000 2.947 217 H HA 0.299 4.802 4.556 -0.089 0.000 0.354 217 H C -2.399 172.845 175.328 -0.140 0.000 1.085 217 H CA -0.364 55.629 56.048 -0.091 0.000 1.253 217 H CB 3.287 33.017 29.762 -0.054 0.000 1.757 217 H HN -0.824 7.498 8.280 0.119 0.029 0.523 218 V N 4.972 124.820 119.914 -0.109 0.000 2.407 218 V HA 0.460 4.633 4.120 -0.217 -0.184 0.291 218 V C -1.478 174.411 176.094 -0.342 0.000 1.018 218 V CA -1.357 60.815 62.300 -0.214 0.000 0.842 218 V CB 1.486 33.182 31.823 -0.212 0.000 0.996 218 V HN 0.301 8.407 8.190 -0.140 0.000 0.426 219 V N -0.367 119.336 119.914 -0.351 0.000 3.103 219 V HA 0.835 4.558 4.120 -0.914 -0.152 0.311 219 V C -2.396 173.391 176.094 -0.512 0.000 1.322 219 V CA -3.441 58.523 62.300 -0.559 0.000 1.063 219 V CB 3.211 34.907 31.823 -0.212 0.000 1.090 219 V HN 0.149 8.190 8.190 -0.248 0.000 0.462 220 F N -1.763 118.162 119.950 -0.042 0.000 2.520 220 F HA 0.745 5.398 4.527 -0.129 -0.204 0.322 220 F C 0.816 176.557 175.800 -0.098 0.000 1.103 220 F CA -3.199 54.746 58.000 -0.091 0.000 0.926 220 F CB 2.365 41.322 39.000 -0.070 0.000 1.154 220 F HN -0.193 7.882 8.300 -0.374 0.000 0.453 221 N N 1.488 120.222 118.700 0.057 0.000 2.948 221 N HA -0.410 4.296 4.740 -0.056 0.000 0.239 221 N C -0.544 174.986 175.510 0.034 0.000 0.954 221 N CA 1.299 54.346 53.050 -0.004 0.000 0.941 221 N CB 0.147 38.627 38.487 -0.012 0.000 1.101 221 N HN 0.607 8.997 8.380 0.016 0.000 0.579 222 G N -5.465 103.379 108.800 0.074 0.000 2.176 222 G HA2 -0.367 3.748 3.960 0.259 0.000 0.232 222 G HA3 -0.367 3.652 3.960 0.100 0.000 0.232 222 G C -2.446 172.512 174.900 0.095 0.000 0.986 222 G CA 0.249 45.431 45.100 0.136 0.000 0.643 222 G HN 0.400 8.674 8.290 0.072 0.059 0.522 223 A N -2.841 120.006 122.820 0.045 0.000 2.594 223 A HA 0.312 4.723 4.320 0.003 -0.089 0.296 223 A C -2.032 175.537 177.584 -0.025 0.000 1.056 223 A CA -0.225 51.812 52.037 0.001 0.000 0.693 223 A CB 2.611 21.598 19.000 -0.023 0.000 1.278 223 A HN -0.895 7.274 8.150 0.032 0.000 0.408 224 V N 0.908 120.805 119.914 -0.027 0.000 2.557 224 V HA -0.414 3.643 4.120 -0.105 0.000 0.301 224 V C 1.062 177.136 176.094 -0.033 0.000 1.026 224 V CA 1.809 64.080 62.300 -0.048 0.000 1.137 224 V CB -0.158 31.659 31.823 -0.010 0.000 0.917 224 V HN 0.449 8.541 8.190 -0.011 0.091 0.484 225 G N 4.533 113.303 108.800 -0.050 0.000 2.147 225 G HA2 -0.338 3.595 3.960 -0.044 0.000 0.244 225 G HA3 -0.338 3.624 3.960 0.003 0.000 0.244 225 G C -0.350 174.539 174.900 -0.018 0.000 1.005 225 G CA 0.530 45.616 45.100 -0.025 0.000 0.713 225 G HN 0.565 8.802 8.290 -0.089 0.000 0.515 226 A N -0.251 122.556 122.820 -0.022 0.000 1.968 226 A HA -0.126 4.188 4.320 -0.010 0.000 0.217 226 A C -0.783 176.784 177.584 -0.028 0.000 1.169 226 A CA 1.735 53.764 52.037 -0.014 0.000 0.638 226 A CB 0.423 19.421 19.000 -0.004 0.000 0.812 226 A HN -0.371 7.735 8.150 -0.030 0.025 0.446 227 L N -3.926 117.277 121.223 -0.033 0.000 3.096 227 L HA 0.287 4.661 4.340 -0.114 -0.102 0.247 227 L C -1.045 175.786 176.870 -0.064 0.000 1.321 227 L CA -1.620 53.175 54.840 -0.075 0.000 1.044 227 L CB -1.872 40.156 42.059 -0.051 0.000 1.434 227 L HN -0.285 7.934 8.230 -0.018 0.000 0.533 228 T N -6.278 108.262 114.554 -0.023 0.000 2.838 228 T HA 0.268 4.687 4.350 0.115 0.000 0.292 228 T C 0.098 174.838 174.700 0.066 0.000 1.113 228 T CA -2.602 59.541 62.100 0.072 0.000 1.008 228 T CB 2.725 71.675 68.868 0.138 0.000 1.259 228 T HN -0.885 7.275 8.240 -0.019 0.068 0.520 229 G N 1.524 110.385 108.800 0.101 0.000 2.550 229 G HA2 -0.510 3.490 3.960 0.068 0.000 0.277 229 G HA3 -0.510 3.482 3.960 0.054 0.000 0.277 229 G C 0.457 175.377 174.900 0.033 0.000 1.190 229 G CA 1.299 46.436 45.100 0.062 0.000 0.971 229 G HN 0.504 8.892 8.290 0.163 0.000 0.559 230 D N 2.716 123.130 120.400 0.024 0.000 2.310 230 D HA -0.209 4.441 4.640 0.016 0.000 0.212 230 D C 0.613 176.914 176.300 0.003 0.000 0.965 230 D CA 1.764 55.774 54.000 0.017 0.000 0.879 230 D CB -1.069 39.745 40.800 0.023 0.000 0.921 230 D HN 0.308 8.694 8.370 0.028 0.000 0.510 231 K N -2.075 118.319 120.400 -0.010 0.000 2.404 231 K HA 0.053 4.358 4.320 -0.025 0.000 0.194 231 K C -0.214 176.300 176.600 -0.144 0.000 1.023 231 K CA -1.355 54.903 56.287 -0.050 0.000 1.094 231 K CB -0.326 32.152 32.500 -0.037 0.000 0.841 231 K HN -0.516 7.693 8.250 0.002 0.043 0.523 232 A N 0.582 123.336 122.820 -0.111 0.000 2.520 232 A HA -0.132 4.267 4.320 -0.177 -0.186 0.245 232 A C -0.122 177.201 177.584 -0.435 0.000 1.072 232 A CA 0.411 52.340 52.037 -0.179 0.000 0.761 232 A CB 0.402 19.396 19.000 -0.011 0.000 1.004 232 A HN -0.561 7.383 8.150 -0.046 0.179 0.499 233 M N 2.142 121.188 119.600 -0.924 0.000 2.095 233 M HA -0.208 3.546 4.480 -1.211 0.000 0.254 233 M C -0.366 175.455 176.300 -0.799 0.000 1.249 233 M CA 2.373 56.826 55.300 -1.411 0.000 1.084 233 M CB 0.654 31.328 32.600 -3.210 0.000 1.327 233 M HN -0.030 7.682 8.290 -0.963 0.000 0.416 234 T N -7.495 106.722 114.554 -0.561 0.000 2.916 234 T HA 0.957 5.389 4.350 -0.201 -0.202 0.305 234 T C -1.664 172.971 174.700 -0.107 0.000 1.119 234 T CA -1.893 60.078 62.100 -0.215 0.000 1.008 234 T CB 2.985 71.798 68.868 -0.091 0.000 1.129 234 T HN -0.120 7.731 8.240 -0.647 0.000 0.480 235 A N 1.770 124.485 122.820 -0.176 0.000 2.608 235 A HA 0.827 5.292 4.320 -0.068 -0.186 0.292 235 A C -3.187 174.247 177.584 -0.250 0.000 1.066 235 A CA -0.425 51.471 52.037 -0.234 0.000 0.676 235 A CB 3.850 22.502 19.000 -0.580 0.000 1.277 235 A HN 0.629 8.668 8.150 -0.184 0.000 0.413 236 A N -1.044 121.698 122.820 -0.130 0.000 2.423 236 A HA 0.891 5.371 4.320 -0.074 -0.205 0.304 236 A C -1.667 175.922 177.584 0.008 0.000 1.104 236 A CA -2.684 49.319 52.037 -0.056 0.000 0.757 236 A CB 3.488 22.486 19.000 -0.003 0.000 1.313 236 A HN 0.413 8.790 8.150 -0.064 -0.266 0.423 237 V N 0.502 120.440 119.914 0.039 0.000 2.644 237 V HA -0.566 3.756 4.120 0.128 -0.125 0.305 237 V C 1.218 177.351 176.094 0.065 0.000 1.053 237 V CA 2.189 64.535 62.300 0.078 0.000 1.186 237 V CB -0.774 31.086 31.823 0.061 0.000 0.895 237 V HN -0.039 8.170 8.190 0.032 0.000 0.490 238 G N 7.133 115.973 108.800 0.068 0.000 2.175 238 G HA2 -0.373 3.602 3.960 0.025 0.000 0.244 238 G HA3 -0.373 3.610 3.960 0.038 0.000 0.244 238 G C -1.343 173.598 174.900 0.068 0.000 0.982 238 G CA -0.178 44.950 45.100 0.046 0.000 0.641 238 G HN 0.790 9.014 8.290 0.081 0.115 0.527 239 E N 1.515 121.778 120.200 0.106 0.000 2.249 239 E HA 0.135 4.671 4.350 0.094 -0.130 0.280 239 E C -1.085 175.604 176.600 0.147 0.000 1.016 239 E CA -1.159 55.313 56.400 0.121 0.000 0.830 239 E CB 2.194 31.962 29.700 0.112 0.000 1.081 239 E HN -0.190 8.185 8.360 0.131 0.063 0.395 240 K N 5.596 126.067 120.400 0.119 0.000 2.240 240 K HA 0.298 4.769 4.320 0.017 -0.141 0.271 240 K C -1.317 175.140 176.600 -0.238 0.000 1.018 240 K CA -0.939 55.368 56.287 0.033 0.000 0.874 240 K CB 1.218 34.009 32.500 0.485 0.000 1.098 240 K HN 0.135 8.762 8.250 0.123 -0.303 0.458 241 V N 3.675 123.321 119.914 -0.447 0.000 2.638 241 V HA 0.684 4.883 4.120 -0.201 -0.199 0.306 241 V C -1.954 173.844 176.094 -0.495 0.000 1.052 241 V CA -1.477 60.660 62.300 -0.272 0.000 0.885 241 V CB 3.810 35.738 31.823 0.175 0.000 0.999 241 V HN 0.090 8.008 8.190 -0.453 0.000 0.424 242 L N 8.270 129.248 121.223 -0.409 0.000 2.272 242 L HA 0.648 5.081 4.340 -0.173 -0.197 0.289 242 L C -2.028 174.779 176.870 -0.105 0.000 1.032 242 L CA -1.239 53.449 54.840 -0.254 0.000 0.810 242 L CB 2.526 44.398 42.059 -0.313 0.000 1.205 242 L HN 0.292 8.314 8.230 -0.346 0.000 0.422 243 I N 7.701 128.264 120.570 -0.011 0.000 2.359 243 I HA 0.430 4.815 4.170 0.045 -0.187 0.284 243 I C -0.774 175.381 176.117 0.063 0.000 1.018 243 I CA -1.188 60.119 61.300 0.011 0.000 1.173 243 I CB 0.762 38.701 38.000 -0.102 0.000 1.326 243 I HN 0.835 9.053 8.210 0.014 0.000 0.462 244 V N 8.311 128.280 119.914 0.091 0.000 2.583 244 V HA 0.134 4.479 4.120 0.127 -0.149 0.287 244 V C -1.515 174.735 176.094 0.260 0.000 1.051 244 V CA -0.954 61.435 62.300 0.148 0.000 1.010 244 V CB 0.411 32.284 31.823 0.084 0.000 0.988 244 V HN 0.350 8.588 8.190 0.081 0.000 0.478 245 H N 7.790 126.948 119.070 0.147 0.000 2.771 245 H HA 0.649 5.482 4.556 0.103 -0.215 0.361 245 H C -1.595 173.805 175.328 0.120 0.000 1.108 245 H CA -1.987 54.133 56.048 0.119 0.000 1.201 245 H CB 3.464 33.273 29.762 0.078 0.000 1.681 245 H HN -0.080 8.353 8.280 0.256 0.000 0.534 246 S N 3.592 119.524 115.700 0.387 0.000 2.570 246 S HA 0.452 5.160 4.470 0.176 -0.133 0.286 246 S C -1.786 172.950 174.600 0.227 0.000 1.099 246 S CA -1.398 56.957 58.200 0.259 0.000 0.913 246 S CB 3.390 66.697 63.200 0.178 0.000 1.085 246 S HN 0.072 8.414 8.310 0.054 0.000 0.480 247 Q N 2.854 122.711 119.800 0.095 0.000 2.444 247 Q HA 0.378 4.754 4.340 0.059 0.000 0.251 247 Q C -1.903 174.087 176.000 -0.017 0.000 0.939 247 Q CA -0.164 55.666 55.803 0.045 0.000 0.740 247 Q CB 3.739 32.489 28.738 0.022 0.000 1.308 247 Q HN -0.169 8.121 8.270 0.033 0.000 0.461 248 A N 5.260 128.066 122.820 -0.024 0.000 3.181 248 A HA 0.112 4.422 4.320 -0.016 0.000 0.293 248 A C -1.641 175.926 177.584 -0.029 0.000 1.346 248 A CA -0.415 51.613 52.037 -0.016 0.000 1.018 248 A CB -0.419 18.591 19.000 0.017 0.000 1.093 248 A HN 0.819 8.955 8.150 -0.023 0.000 0.629 249 N N -3.214 115.476 118.700 -0.017 0.000 3.608 249 N HA -0.086 4.650 4.740 -0.008 0.000 0.134 249 N C -2.849 172.676 175.510 0.024 0.000 0.977 249 N CA 0.896 53.944 53.050 -0.003 0.000 3.004 249 N CB 0.758 39.244 38.487 -0.003 0.000 1.225 249 N HN -0.394 7.958 8.380 -0.015 0.019 0.796 250 R N -3.489 117.016 120.500 0.007 0.000 3.681 250 R HA 0.027 4.388 4.340 0.034 0.000 0.252 250 R C -2.879 173.397 176.300 -0.041 0.000 1.000 250 R CA 0.002 56.109 56.100 0.012 0.000 1.056 250 R CB 2.675 32.991 30.300 0.027 0.000 1.243 250 R HN -0.596 7.669 8.270 -0.009 0.000 0.549 251 D N 5.476 125.849 120.400 -0.045 0.000 2.308 251 D HA 0.445 5.125 4.640 -0.297 -0.218 0.251 251 D C -1.059 175.122 176.300 -0.198 0.000 1.127 251 D CA 0.478 54.364 54.000 -0.190 0.000 0.876 251 D CB 1.112 41.870 40.800 -0.069 0.000 1.176 251 D HN 0.182 8.559 8.370 0.011 0.000 0.446 252 T N 0.040 114.384 114.554 -0.350 0.000 2.883 252 T HA 0.332 4.607 4.350 -0.126 0.000 0.284 252 T C -1.814 172.698 174.700 -0.313 0.000 1.041 252 T CA -3.046 58.906 62.100 -0.247 0.000 1.007 252 T CB 1.949 70.676 68.868 -0.235 0.000 1.220 252 T HN 0.370 8.309 8.240 -0.501 0.000 0.552 253 R N -1.504 118.861 120.500 -0.224 0.000 2.855 253 R HA 0.628 4.956 4.340 -0.192 -0.103 0.261 253 R C -3.138 172.886 176.300 -0.460 0.000 1.826 253 R CA -2.744 53.230 56.100 -0.211 0.000 1.435 253 R CB -0.335 29.967 30.300 0.003 0.000 1.383 253 R HN 0.342 8.621 8.270 -0.205 -0.132 0.583 254 P HA -0.109 3.813 4.420 -0.830 0.000 0.267 254 P C -2.098 174.366 177.300 -1.394 0.000 1.200 254 P CA 0.342 62.892 63.100 -0.917 0.000 0.772 254 P CB 0.365 31.815 31.700 -0.418 0.000 0.855 255 H N 1.893 120.272 119.070 -1.152 0.000 3.188 255 H HA 0.172 3.909 4.556 -1.365 0.000 0.325 255 H C -2.052 173.033 175.328 -0.404 0.000 1.033 255 H CA -0.288 55.220 56.048 -0.899 0.000 1.443 255 H CB 2.891 32.283 29.762 -0.616 0.000 1.968 255 H HN -0.385 7.214 8.280 -1.135 0.000 0.449 256 L N 8.612 129.466 121.223 -0.615 0.000 2.295 256 L HA 0.239 4.633 4.340 -0.091 -0.109 0.288 256 L C -1.342 175.155 176.870 -0.622 0.000 1.079 256 L CA -0.650 53.985 54.840 -0.342 0.000 0.830 256 L CB 0.935 42.896 42.059 -0.162 0.000 1.200 256 L HN 0.504 8.517 8.230 -0.362 0.000 0.438 257 I N 7.949 128.393 120.570 -0.209 0.000 2.662 257 I HA -0.199 4.142 4.170 0.286 0.000 0.285 257 I C 0.787 176.983 176.117 0.132 0.000 1.161 257 I CA 1.676 63.036 61.300 0.101 0.000 1.415 257 I CB -0.760 37.394 38.000 0.257 0.000 1.385 257 I HN 0.671 8.873 8.210 -0.013 0.000 0.552 258 G N 5.637 114.476 108.800 0.065 0.000 2.217 258 G HA2 -0.287 3.775 3.960 0.170 0.000 0.246 258 G HA3 -0.287 3.866 3.960 0.321 0.000 0.246 258 G C -1.063 173.915 174.900 0.131 0.000 0.990 258 G CA -0.214 45.016 45.100 0.217 0.000 0.627 258 G HN 0.530 8.836 8.290 0.027 0.000 0.522 259 G N -0.074 108.507 108.800 -0.365 0.000 3.247 259 G HA2 0.357 4.092 3.960 -0.376 0.000 0.226 259 G HA3 0.357 3.819 3.960 -0.829 0.000 0.226 259 G C -3.486 170.439 174.900 -1.625 0.000 1.220 259 G CA -0.653 43.977 45.100 -0.783 0.000 0.875 259 G HN -0.056 7.801 8.290 -0.397 0.194 0.606 260 H N -4.445 114.118 119.070 -0.845 0.000 3.005 260 H HA 0.155 4.683 4.556 -0.046 0.000 0.311 260 H C -0.773 174.210 175.328 -0.575 0.000 1.366 260 H CA 0.004 55.808 56.048 -0.408 0.000 1.210 260 H CB 2.651 32.278 29.762 -0.225 0.000 1.894 260 H HN -0.165 7.091 8.280 -1.708 0.000 0.520 261 G N -0.181 108.341 108.800 -0.464 0.000 2.444 261 G HA2 0.002 3.726 3.960 -0.393 0.000 0.303 261 G HA3 0.002 3.258 3.960 -1.174 0.000 0.303 261 G C -0.521 174.164 174.900 -0.359 0.000 1.032 261 G CA -0.128 44.596 45.100 -0.627 0.000 1.137 261 G HN 0.453 8.479 8.290 -0.440 0.000 0.430 262 D N 7.356 127.700 120.400 -0.093 0.000 2.092 262 D HA -0.188 4.252 4.640 -0.333 0.000 0.193 262 D C 0.136 175.953 176.300 -0.806 0.000 0.994 262 D CA 3.472 57.276 54.000 -0.327 0.000 0.828 262 D CB 0.645 41.401 40.800 -0.073 0.000 0.963 262 D HN -0.171 8.300 8.370 0.168 0.000 0.450 263 Y N -4.578 115.590 120.300 -0.220 0.000 2.346 263 Y HA 0.486 4.971 4.550 -0.446 -0.202 0.332 263 Y C -1.465 174.065 175.900 -0.616 0.000 0.985 263 Y CA -1.365 56.453 58.100 -0.471 0.000 1.112 263 Y CB 3.142 41.262 38.460 -0.565 0.000 1.170 263 Y HN -0.472 7.828 8.280 0.033 0.000 0.447 264 V N 1.971 121.553 119.914 -0.554 0.000 2.447 264 V HA 0.456 4.558 4.120 -0.303 -0.163 0.292 264 V C -0.450 175.436 176.094 -0.347 0.000 1.021 264 V CA -0.930 61.100 62.300 -0.449 0.000 0.850 264 V CB 2.800 34.286 31.823 -0.563 0.000 1.005 264 V HN 0.420 8.305 8.190 -0.508 0.000 0.426 265 W N 7.047 128.347 121.300 -0.001 0.000 2.110 265 W HA 0.096 4.764 4.660 0.014 0.000 0.450 265 W C 0.320 176.810 176.519 -0.048 0.000 0.893 265 W CA -0.138 57.199 57.345 -0.013 0.000 1.688 265 W CB -1.868 27.567 29.460 -0.041 0.000 1.779 265 W HN 0.575 8.944 8.180 0.316 0.000 0.300 266 A N 5.502 128.385 122.820 0.104 0.000 1.940 266 A HA -0.314 4.080 4.320 0.124 0.000 0.219 266 A C 0.733 178.363 177.584 0.076 0.000 1.176 266 A CA 3.551 55.653 52.037 0.109 0.000 0.631 266 A CB -0.488 18.592 19.000 0.134 0.000 0.814 266 A HN -0.126 8.027 8.150 0.041 0.022 0.446 267 T N -6.310 108.285 114.554 0.067 0.000 3.118 267 T HA -0.224 4.130 4.350 0.006 0.000 0.260 267 T C 0.454 175.086 174.700 -0.114 0.000 1.139 267 T CA -0.112 61.991 62.100 0.005 0.000 1.085 267 T CB -0.623 68.265 68.868 0.033 0.000 0.934 267 T HN -0.280 8.007 8.240 0.096 0.011 0.518 268 G N 1.062 109.795 108.800 -0.111 0.000 2.176 268 G HA2 -0.508 3.277 3.960 -0.292 0.000 0.252 268 G HA3 -0.508 3.461 3.960 -0.440 -0.272 0.252 268 G C -1.478 173.065 174.900 -0.594 0.000 1.024 268 G CA 0.833 45.719 45.100 -0.357 0.000 0.755 268 G HN -0.167 7.925 8.290 0.025 0.213 0.507 269 K N -2.280 117.920 120.400 -0.334 0.000 2.413 269 K HA 0.427 4.636 4.320 -0.376 -0.114 0.257 269 K C -0.602 175.898 176.600 -0.166 0.000 0.946 269 K CA -3.366 52.764 56.287 -0.260 0.000 0.823 269 K CB 0.833 33.314 32.500 -0.032 0.000 1.109 269 K HN -0.903 7.251 8.250 -0.113 0.028 0.427 270 F N 2.984 122.874 119.950 -0.101 0.000 2.186 270 F HA -0.252 3.942 4.527 -0.555 0.000 0.299 270 F C 1.481 177.314 175.800 0.056 0.000 1.090 270 F CA 2.539 60.417 58.000 -0.203 0.000 1.307 270 F CB 0.170 39.037 39.000 -0.222 0.000 1.019 270 F HN 0.047 8.052 8.300 -0.317 0.105 0.489 271 N N -2.517 116.338 118.700 0.258 0.000 2.223 271 N HA -0.239 4.615 4.740 0.191 0.000 0.185 271 N C 0.239 175.874 175.510 0.209 0.000 1.016 271 N CA 1.771 54.942 53.050 0.201 0.000 0.863 271 N CB 0.022 38.598 38.487 0.149 0.000 0.983 271 N HN -0.076 8.440 8.380 0.227 0.000 0.429 272 T N 3.743 118.431 114.554 0.223 0.000 2.752 272 T HA 0.202 4.647 4.350 0.159 0.000 0.295 272 T C -2.358 172.515 174.700 0.289 0.000 0.923 272 T CA -1.211 61.014 62.100 0.208 0.000 1.112 272 T CB 0.644 69.612 68.868 0.167 0.000 0.884 272 T HN -0.922 7.421 8.240 0.209 0.023 0.525 273 P HA -0.077 4.482 4.420 0.231 0.000 0.263 273 P C -1.990 175.352 177.300 0.070 0.000 1.168 273 P CA -0.792 62.410 63.100 0.170 0.000 0.759 273 P CB -0.201 31.556 31.700 0.095 0.000 0.782 274 P HA -0.091 4.026 4.420 -0.505 0.000 0.287 274 P C -0.689 176.431 177.300 -0.301 0.000 1.281 274 P CA -0.727 62.039 63.100 -0.556 0.000 0.781 274 P CB 0.940 31.746 31.700 -1.489 0.000 0.903 275 D N 3.779 124.042 120.400 -0.229 0.000 2.319 275 D HA -0.109 4.464 4.640 -0.111 0.000 0.235 275 D C -0.105 176.050 176.300 -0.242 0.000 1.304 275 D CA 1.168 55.069 54.000 -0.166 0.000 0.894 275 D CB 0.692 41.422 40.800 -0.115 0.000 1.183 275 D HN -0.300 7.945 8.370 -0.208 0.000 0.472 276 V N -7.722 112.057 119.914 -0.224 0.000 2.971 276 V HA 0.663 4.721 4.120 -0.484 -0.228 0.309 276 V C -1.191 174.736 176.094 -0.279 0.000 1.130 276 V CA -1.954 60.137 62.300 -0.347 0.000 0.964 276 V CB 4.354 35.978 31.823 -0.332 0.000 1.029 276 V HN -0.187 7.907 8.190 -0.161 0.000 0.427 277 D N -1.628 118.575 120.400 -0.329 0.000 2.760 277 D HA -0.425 4.090 4.640 -0.209 0.000 0.244 277 D C -1.211 175.017 176.300 -0.119 0.000 1.123 277 D CA 1.778 55.652 54.000 -0.210 0.000 0.719 277 D CB -1.646 39.050 40.800 -0.174 0.000 1.045 277 D HN 0.226 8.209 8.370 -0.463 0.109 0.426 278 Q N -1.549 118.168 119.800 -0.138 0.000 2.278 278 Q HA 0.262 4.660 4.340 0.096 0.000 0.257 278 Q C 0.569 176.835 176.000 0.444 0.000 0.928 278 Q CA -1.082 54.753 55.803 0.054 0.000 0.932 278 Q CB 0.985 29.660 28.738 -0.105 0.000 1.221 278 Q HN -0.158 7.852 8.270 -0.264 0.102 0.434 279 E N 1.431 121.926 120.200 0.492 0.000 2.122 279 E HA -0.166 4.521 4.350 0.561 0.000 0.190 279 E C -0.580 176.212 176.600 0.319 0.000 0.977 279 E CA 1.883 58.583 56.400 0.500 0.000 0.820 279 E CB 0.829 30.685 29.700 0.260 0.000 0.770 279 E HN 0.484 9.030 8.360 0.311 0.000 0.462 280 T N -0.706 113.914 114.554 0.110 0.000 3.109 280 T HA 0.483 3.901 4.350 -1.872 -0.192 0.311 280 T C -1.019 173.654 174.700 -0.043 0.000 1.011 280 T CA -0.993 60.707 62.100 -0.666 0.000 1.026 280 T CB 2.296 70.857 68.868 -0.512 0.000 1.047 280 T HN -0.647 7.789 8.240 0.325 0.000 0.448 281 W N 4.023 125.328 121.300 0.009 0.000 2.119 281 W HA 0.236 4.925 4.660 0.048 0.000 0.530 281 W C -1.983 174.621 176.519 0.141 0.000 1.988 281 W CA -1.991 55.383 57.345 0.048 0.000 2.234 281 W CB 0.474 29.947 29.460 0.022 0.000 2.045 281 W HN -0.180 6.683 8.180 -2.195 0.000 0.754 282 F N -0.753 119.303 119.950 0.178 0.000 2.722 282 F HA 0.345 5.006 4.527 -0.037 -0.156 0.336 282 F C -2.410 173.423 175.800 0.054 0.000 1.216 282 F CA -0.427 57.596 58.000 0.039 0.000 1.065 282 F CB 2.693 41.707 39.000 0.023 0.000 1.325 282 F HN -0.080 8.500 8.300 0.465 0.000 0.524 283 I N 6.093 126.287 120.570 -0.627 0.000 2.382 283 I HA 0.600 4.631 4.170 -0.233 0.000 0.286 283 I C -2.352 173.368 176.117 -0.662 0.000 1.002 283 I CA -3.567 57.474 61.300 -0.431 0.000 1.135 283 I CB 3.051 40.913 38.000 -0.229 0.000 1.288 283 I HN 0.083 7.835 8.210 -0.763 0.000 0.448 284 P HA -0.020 4.275 4.420 -0.407 -0.119 0.276 284 P C -0.207 177.009 177.300 -0.140 0.000 1.235 284 P CA -0.961 61.977 63.100 -0.270 0.000 0.772 284 P CB 0.119 31.821 31.700 0.002 0.000 0.871 285 G N 1.636 110.377 108.800 -0.097 0.000 2.238 285 G HA2 -0.414 3.754 3.960 -0.056 0.000 0.234 285 G HA3 -0.414 3.576 3.960 -0.010 -0.036 0.234 285 G C 0.370 175.266 174.900 -0.006 0.000 1.181 285 G CA 0.372 45.449 45.100 -0.040 0.000 0.871 285 G HN 0.729 9.924 8.290 -0.099 -0.965 0.490 286 G N 3.506 112.300 108.800 -0.010 0.000 2.142 286 G HA2 -0.469 3.501 3.960 0.018 0.000 0.225 286 G HA3 -0.469 3.561 3.960 0.117 0.000 0.225 286 G C -1.777 173.070 174.900 -0.088 0.000 1.015 286 G CA -0.145 44.965 45.100 0.018 0.000 0.716 286 G HN 0.329 8.498 8.290 -0.026 0.105 0.508 287 A N -3.042 119.702 122.820 -0.127 0.000 2.594 287 A HA 0.330 4.516 4.320 -0.222 0.000 0.296 287 A C -2.874 174.626 177.584 -0.141 0.000 1.061 287 A CA -0.164 51.780 52.037 -0.156 0.000 0.689 287 A CB 2.697 21.641 19.000 -0.092 0.000 1.280 287 A HN -0.676 7.414 8.150 -0.101 0.000 0.406 288 A N 0.514 123.224 122.820 -0.182 0.000 2.342 288 A HA 0.980 5.419 4.320 -0.017 -0.129 0.323 288 A C -1.167 176.331 177.584 -0.144 0.000 1.125 288 A CA -1.869 50.101 52.037 -0.111 0.000 0.785 288 A CB 2.903 21.829 19.000 -0.124 0.000 1.221 288 A HN 0.457 8.452 8.150 -0.259 0.000 0.463 289 G N -0.023 108.760 108.800 -0.028 0.000 2.971 289 G HA2 0.902 4.884 3.960 -0.090 0.000 0.235 289 G HA3 0.902 4.895 3.960 0.054 0.000 0.235 289 G C -2.677 172.255 174.900 0.054 0.000 1.351 289 G CA -1.922 43.175 45.100 -0.006 0.000 1.039 289 G HN 0.321 8.643 8.290 0.053 0.000 0.563 290 A N -3.208 119.699 122.820 0.146 0.000 2.555 290 A HA 0.525 5.111 4.320 0.168 -0.165 0.297 290 A C -2.987 174.780 177.584 0.304 0.000 1.060 290 A CA -0.181 51.988 52.037 0.221 0.000 0.710 290 A CB 2.947 22.069 19.000 0.202 0.000 1.282 290 A HN -0.375 7.879 8.150 0.174 0.000 0.399 291 A N 2.710 125.646 122.820 0.193 0.000 2.371 291 A HA 0.922 5.410 4.320 0.004 -0.166 0.311 291 A C -2.719 174.988 177.584 0.205 0.000 1.068 291 A CA -1.964 50.103 52.037 0.049 0.000 0.744 291 A CB 3.365 22.218 19.000 -0.245 0.000 1.239 291 A HN 0.104 8.354 8.150 0.167 0.000 0.435 292 F N 5.958 125.982 119.950 0.124 0.000 2.467 292 F HA 0.832 5.670 4.527 0.206 -0.188 0.336 292 F C -2.508 173.403 175.800 0.185 0.000 1.123 292 F CA -3.022 55.107 58.000 0.216 0.000 0.964 292 F CB 3.798 43.007 39.000 0.349 0.000 1.136 292 F HN 0.603 9.068 8.300 0.275 0.000 0.447 293 Y N 8.394 128.767 120.300 0.122 0.000 2.479 293 Y HA 0.393 5.256 4.550 0.232 -0.173 0.338 293 Y C -2.384 173.495 175.900 -0.035 0.000 1.055 293 Y CA -1.337 56.797 58.100 0.057 0.000 1.023 293 Y CB 4.161 42.473 38.460 -0.246 0.000 1.287 293 Y HN 0.453 8.623 8.280 -0.183 0.000 0.447 294 T N 9.395 123.438 114.554 -0.852 0.000 2.733 294 T HA 0.366 4.805 4.350 -0.231 -0.227 0.294 294 T C -0.335 173.706 174.700 -1.098 0.000 0.956 294 T CA -0.282 61.461 62.100 -0.594 0.000 0.987 294 T CB 0.296 69.040 68.868 -0.206 0.000 0.920 294 T HN -0.002 8.050 8.240 -0.825 -0.307 0.470 295 F N 6.954 126.616 119.950 -0.479 0.000 2.518 295 F HA -0.130 4.421 4.527 0.040 0.000 0.359 295 F C 0.564 176.280 175.800 -0.140 0.000 1.118 295 F CA 1.295 59.186 58.000 -0.183 0.000 1.287 295 F CB 0.643 39.615 39.000 -0.046 0.000 1.132 295 F HN -0.017 8.324 8.300 0.069 0.000 0.587 296 Q N 1.380 121.253 119.800 0.122 0.000 2.245 296 Q HA 0.111 4.462 4.340 0.018 0.000 0.250 296 Q C -0.797 175.215 176.000 0.019 0.000 0.830 296 Q CA 0.119 55.948 55.803 0.042 0.000 0.950 296 Q CB 2.223 30.970 28.738 0.015 0.000 1.124 296 Q HN 0.464 8.867 8.270 0.221 0.000 0.502 297 Q N -2.047 117.803 119.800 0.083 0.000 2.372 297 Q HA 0.584 4.879 4.340 -0.075 0.000 0.273 297 Q C -2.347 173.796 176.000 0.238 0.000 1.078 297 Q CA -2.903 52.926 55.803 0.043 0.000 0.806 297 Q CB 2.318 31.015 28.738 -0.068 0.000 1.332 297 Q HN -0.454 7.921 8.270 0.174 0.000 0.435 298 P HA -0.026 4.581 4.420 0.213 -0.059 0.282 298 P C -0.621 177.002 177.300 0.539 0.000 1.259 298 P CA -0.841 62.460 63.100 0.335 0.000 0.826 298 P CB 1.141 33.002 31.700 0.269 0.000 1.064 299 G N -0.926 108.150 108.800 0.460 0.000 2.302 299 G HA2 -0.176 3.947 3.960 0.272 0.000 0.276 299 G HA3 -0.176 4.065 3.960 0.468 0.000 0.276 299 G C -2.628 172.559 174.900 0.479 0.000 1.316 299 G CA -0.437 44.925 45.100 0.436 0.000 0.988 299 G HN 0.047 8.418 8.290 0.317 0.110 0.479 300 I N 0.585 121.334 120.570 0.298 0.000 2.354 300 I HA 0.471 5.047 4.170 0.402 -0.165 0.292 300 I C -0.549 175.728 176.117 0.266 0.000 0.989 300 I CA -1.797 59.686 61.300 0.305 0.000 1.188 300 I CB 0.208 38.274 38.000 0.109 0.000 1.342 300 I HN 0.004 8.298 8.210 0.139 0.000 0.457 301 Y N 5.694 126.126 120.300 0.220 0.000 2.446 301 Y HA 0.282 4.946 4.550 0.191 0.000 0.345 301 Y C -1.542 174.533 175.900 0.292 0.000 0.984 301 Y CA -1.805 56.435 58.100 0.233 0.000 1.058 301 Y CB 3.652 42.273 38.460 0.269 0.000 1.220 301 Y HN 0.434 9.155 8.280 0.735 0.000 0.455 302 A N 2.753 125.809 122.820 0.394 0.000 2.305 302 A HA 0.460 5.388 4.320 0.732 -0.169 0.322 302 A C -2.290 175.485 177.584 0.319 0.000 1.187 302 A CA -1.882 50.450 52.037 0.491 0.000 0.825 302 A CB 2.071 21.343 19.000 0.454 0.000 1.164 302 A HN 0.522 8.845 8.150 0.289 0.000 0.498 303 Y N 6.709 127.083 120.300 0.123 0.000 2.328 303 Y HA 0.722 5.423 4.550 -0.042 -0.177 0.333 303 Y C -1.906 174.011 175.900 0.028 0.000 0.958 303 Y CA -1.708 56.370 58.100 -0.038 0.000 1.167 303 Y CB 1.867 40.154 38.460 -0.288 0.000 1.151 303 Y HN -0.212 8.308 8.280 0.401 0.000 0.470 304 V N 1.969 121.560 119.914 -0.539 0.000 3.253 304 V HA 0.510 4.635 4.120 -0.004 -0.008 0.300 304 V C -2.848 173.048 176.094 -0.330 0.000 1.398 304 V CA -3.140 59.009 62.300 -0.251 0.000 1.067 304 V CB 3.884 35.645 31.823 -0.104 0.000 1.102 304 V HN 0.112 8.000 8.190 -0.505 0.000 0.455 305 N N -0.003 118.656 118.700 -0.069 0.000 2.468 305 N HA -0.286 4.463 4.740 -0.225 -0.144 0.265 305 N C 0.023 175.441 175.510 -0.153 0.000 1.199 305 N CA 0.425 53.404 53.050 -0.118 0.000 0.928 305 N CB 0.088 38.575 38.487 0.000 0.000 1.059 305 N HN -0.260 8.248 8.380 0.215 0.000 0.467 306 H N 6.428 125.343 119.070 -0.259 0.000 2.321 306 H HA -0.305 4.083 4.556 -0.279 0.000 0.300 306 H C 1.162 176.396 175.328 -0.157 0.000 1.087 306 H CA 2.952 58.852 56.048 -0.247 0.000 1.319 306 H CB 0.693 30.290 29.762 -0.276 0.000 1.379 306 H HN 0.347 8.559 8.280 -0.114 0.000 0.501 307 N N 0.513 119.174 118.700 -0.065 0.000 1.998 307 N HA -0.208 4.497 4.740 -0.059 0.000 0.276 307 N C 0.849 176.271 175.510 -0.148 0.000 1.364 307 N CA 0.724 53.723 53.050 -0.084 0.000 1.034 307 N CB -0.392 38.063 38.487 -0.053 0.000 1.454 307 N HN -0.460 8.107 8.380 -0.015 -0.195 0.476 308 L N 2.651 123.760 121.223 -0.189 0.000 2.051 308 L HA -0.455 3.804 4.340 -0.120 0.010 0.214 308 L C 2.125 179.006 176.870 0.018 0.000 1.076 308 L CA 3.161 57.951 54.840 -0.084 0.000 0.758 308 L CB -0.085 41.943 42.059 -0.052 0.000 0.890 308 L HN 0.379 8.493 8.230 -0.229 -0.021 0.433 309 I N -2.816 117.744 120.570 -0.017 0.000 2.127 309 I HA -0.602 3.584 4.170 0.028 0.000 0.241 309 I C 1.763 177.849 176.117 -0.051 0.000 1.075 309 I CA 3.650 64.944 61.300 -0.010 0.000 1.334 309 I CB -0.459 37.524 38.000 -0.027 0.000 1.040 309 I HN -0.055 8.125 8.210 -0.042 0.004 0.405 310 E N -1.184 118.963 120.200 -0.087 0.000 2.153 310 E HA -0.440 3.833 4.350 -0.128 0.000 0.194 310 E C 2.341 178.822 176.600 -0.197 0.000 0.988 310 E CA 3.040 59.362 56.400 -0.130 0.000 0.811 310 E CB -0.449 29.183 29.700 -0.113 0.000 0.746 310 E HN -0.679 7.737 8.360 -0.078 -0.103 0.466 311 A N -2.177 120.496 122.820 -0.244 0.000 2.021 311 A HA -0.104 4.092 4.320 -0.382 -0.106 0.216 311 A C 0.868 178.106 177.584 -0.576 0.000 1.163 311 A CA 2.388 54.162 52.037 -0.439 0.000 0.676 311 A CB 0.114 18.770 19.000 -0.574 0.000 0.818 311 A HN 0.285 8.106 8.150 -0.202 0.208 0.453 312 F N -4.617 115.281 119.950 -0.087 0.000 2.592 312 F HA 0.087 4.592 4.527 -0.036 0.000 0.280 312 F C 1.277 177.036 175.800 -0.069 0.000 1.083 312 F CA 1.984 59.948 58.000 -0.060 0.000 1.365 312 F CB 1.390 40.356 39.000 -0.056 0.000 1.100 312 F HN -0.047 8.229 8.300 -0.040 0.000 0.633 313 E N -1.335 118.921 120.200 0.093 0.000 2.250 313 E HA -0.024 4.342 4.350 0.027 0.000 0.192 313 E C 0.975 177.528 176.600 -0.077 0.000 0.986 313 E CA 1.404 57.809 56.400 0.008 0.000 0.849 313 E CB 0.760 30.455 29.700 -0.007 0.000 0.797 313 E HN -0.149 8.266 8.360 0.092 0.000 0.482 314 L N -5.183 115.968 121.223 -0.120 0.000 2.221 314 L HA 0.065 4.249 4.340 -0.259 0.000 0.202 314 L C 0.798 177.562 176.870 -0.176 0.000 1.074 314 L CA 0.771 55.496 54.840 -0.192 0.000 0.795 314 L CB 1.250 43.196 42.059 -0.189 0.000 0.960 314 L HN -0.497 7.668 8.230 -0.109 0.000 0.458 315 G N -4.819 103.864 108.800 -0.196 0.000 2.192 315 G HA2 -0.176 3.682 3.960 -0.170 0.000 0.152 315 G HA3 -0.176 3.687 3.960 -0.163 0.000 0.152 315 G C -1.661 172.976 174.900 -0.438 0.000 1.057 315 G CA -0.288 44.680 45.100 -0.221 0.000 0.748 315 G HN -0.660 7.505 8.290 -0.208 0.000 0.488 316 A N -0.538 121.969 122.820 -0.522 0.000 3.245 316 A HA 0.453 3.677 4.320 -1.826 0.000 0.282 316 A C -2.649 174.687 177.584 -0.413 0.000 1.417 316 A CA -1.417 50.038 52.037 -0.971 0.000 1.149 316 A CB -0.485 18.157 19.000 -0.596 0.000 1.155 316 A HN -0.181 7.736 8.150 -0.388 0.000 0.602 317 A N -0.874 121.790 122.820 -0.259 0.000 2.429 317 A HA 0.543 5.111 4.320 0.175 -0.143 0.289 317 A C -2.318 175.227 177.584 -0.065 0.000 1.043 317 A CA -0.591 51.425 52.037 -0.035 0.000 0.722 317 A CB 2.628 21.461 19.000 -0.277 0.000 1.243 317 A HN -0.704 7.173 8.150 -0.370 0.050 0.415 318 A N 3.623 126.510 122.820 0.112 0.000 2.452 318 A HA 0.350 4.515 4.320 -0.257 0.000 0.285 318 A C -2.041 175.456 177.584 -0.146 0.000 1.209 318 A CA -1.380 50.632 52.037 -0.042 0.000 0.940 318 A CB 2.524 21.703 19.000 0.297 0.000 1.440 318 A HN 0.391 8.732 8.150 0.319 0.000 0.480 319 H N -3.644 115.650 119.070 0.375 0.000 2.856 319 H HA 0.571 5.556 4.556 0.426 -0.173 0.355 319 H C -1.554 174.089 175.328 0.526 0.000 1.079 319 H CA -1.619 54.670 56.048 0.403 0.000 1.240 319 H CB 3.822 33.720 29.762 0.227 0.000 1.701 319 H HN 0.013 8.392 8.280 0.165 0.000 0.527 320 F N 1.643 121.736 119.950 0.240 0.000 2.426 320 F HA 0.325 5.015 4.527 -0.002 -0.164 0.348 320 F C -0.588 175.262 175.800 0.083 0.000 1.124 320 F CA -2.755 55.294 58.000 0.081 0.000 1.008 320 F CB 1.657 40.685 39.000 0.046 0.000 1.139 320 F HN 1.085 9.756 8.300 0.797 0.108 0.452 321 K N 3.972 124.436 120.400 0.107 0.000 2.205 321 K HA 0.333 4.883 4.320 0.176 -0.125 0.279 321 K C -0.946 175.653 176.600 -0.001 0.000 1.027 321 K CA -0.056 56.285 56.287 0.091 0.000 0.932 321 K CB 1.112 33.639 32.500 0.044 0.000 1.032 321 K HN 0.298 8.536 8.250 -0.020 0.000 0.466 322 V N 4.427 124.357 119.914 0.026 0.000 2.638 322 V HA 1.041 5.347 4.120 -0.158 -0.282 0.306 322 V C -0.157 175.951 176.094 0.024 0.000 1.052 322 V CA -2.095 60.155 62.300 -0.084 0.000 0.885 322 V CB 3.632 35.315 31.823 -0.233 0.000 0.999 322 V HN 0.500 8.770 8.190 0.133 0.000 0.424 323 T N 3.453 118.010 114.554 0.006 0.000 2.943 323 T HA 0.405 4.801 4.350 0.076 0.000 0.284 323 T C -0.931 173.805 174.700 0.059 0.000 1.015 323 T CA -1.659 60.470 62.100 0.048 0.000 1.042 323 T CB 1.887 70.776 68.868 0.034 0.000 1.055 323 T HN 0.148 8.367 8.240 -0.035 0.000 0.500 324 G N 0.081 108.931 108.800 0.084 0.000 2.339 324 G HA2 -0.129 3.872 3.960 0.069 0.000 0.275 324 G HA3 -0.129 3.881 3.960 0.083 0.000 0.275 324 G C -2.658 172.315 174.900 0.121 0.000 1.323 324 G CA -0.392 44.760 45.100 0.087 0.000 0.927 324 G HN -0.249 8.097 8.290 0.092 0.000 0.486 325 E N -0.161 120.110 120.200 0.119 0.000 2.183 325 E HA 0.259 4.715 4.350 0.178 0.000 0.271 325 E C -0.790 175.929 176.600 0.198 0.000 0.919 325 E CA -1.502 54.990 56.400 0.155 0.000 0.781 325 E CB 1.372 31.139 29.700 0.111 0.000 1.140 325 E HN 0.061 8.476 8.360 0.092 0.000 0.402 326 W N 3.993 125.341 121.300 0.080 0.000 2.137 326 W HA -0.185 4.646 4.660 0.117 -0.101 0.344 326 W C -0.952 175.616 176.519 0.083 0.000 1.286 326 W CA 0.283 57.684 57.345 0.093 0.000 1.240 326 W CB 0.979 30.489 29.460 0.084 0.000 1.141 326 W HN 0.284 8.701 8.180 0.396 0.000 0.579 327 N N 5.455 123.691 118.700 -0.773 0.000 2.569 327 N HA 0.208 4.878 4.740 -0.117 0.000 0.254 327 N C -0.873 174.406 175.510 -0.385 0.000 1.004 327 N CA -1.613 51.196 53.050 -0.402 0.000 0.904 327 N CB 1.782 40.073 38.487 -0.328 0.000 1.165 327 N HN 0.509 8.199 8.380 -1.744 -0.356 0.513 328 D N 7.127 127.567 120.400 0.066 0.000 2.117 328 D HA -0.213 5.011 4.640 0.537 -0.262 0.197 328 D C 1.079 177.445 176.300 0.110 0.000 0.987 328 D CA 2.920 57.075 54.000 0.259 0.000 0.829 328 D CB 0.068 41.021 40.800 0.255 0.000 0.961 328 D HN 0.482 8.940 8.370 0.147 0.000 0.460 329 D N -1.067 119.358 120.400 0.042 0.000 2.157 329 D HA -0.245 4.420 4.640 0.042 0.000 0.191 329 D C 1.738 178.044 176.300 0.010 0.000 1.004 329 D CA 2.411 56.425 54.000 0.024 0.000 0.854 329 D CB 0.059 40.859 40.800 0.002 0.000 0.936 329 D HN -0.359 8.109 8.370 0.034 -0.077 0.446 330 L N -3.069 118.128 121.223 -0.043 0.000 2.072 330 L HA -0.220 4.110 4.340 -0.016 0.000 0.205 330 L C 0.700 177.585 176.870 0.025 0.000 1.079 330 L CA 1.149 55.963 54.840 -0.043 0.000 0.752 330 L CB 0.924 42.907 42.059 -0.127 0.000 0.906 330 L HN -0.763 7.615 8.230 -0.096 -0.206 0.436 331 M N -4.085 115.562 119.600 0.080 0.000 2.365 331 M HA 0.200 4.799 4.480 0.199 0.000 0.288 331 M C -2.433 174.152 176.300 0.476 0.000 1.152 331 M CA 0.553 56.015 55.300 0.271 0.000 0.948 331 M CB 3.113 35.932 32.600 0.366 0.000 1.729 331 M HN -0.556 7.663 8.290 0.010 0.076 0.487 332 T N 2.385 117.135 114.554 0.327 0.000 3.105 332 T HA 0.220 4.781 4.350 0.352 0.000 0.321 332 T C -0.937 173.845 174.700 0.136 0.000 1.135 332 T CA -0.225 62.039 62.100 0.273 0.000 1.053 332 T CB 1.351 70.349 68.868 0.217 0.000 1.133 332 T HN 0.004 8.385 8.240 0.235 0.000 0.463 333 S N 7.589 123.326 115.700 0.061 0.000 2.494 333 S HA 0.048 4.541 4.470 0.038 0.000 0.312 333 S C 0.831 175.444 174.600 0.022 0.000 1.121 333 S CA -0.294 57.919 58.200 0.021 0.000 1.068 333 S CB -0.456 62.725 63.200 -0.033 0.000 1.141 333 S HN 0.376 8.699 8.310 0.022 0.000 0.527 334 V N 6.399 126.333 119.914 0.034 0.000 2.295 334 V HA -0.271 3.868 4.120 0.032 0.000 0.246 334 V C -0.226 175.876 176.094 0.014 0.000 1.049 334 V CA 1.617 63.934 62.300 0.028 0.000 1.024 334 V CB 0.267 32.108 31.823 0.031 0.000 0.648 334 V HN 0.039 8.255 8.190 0.043 0.000 0.447 335 L N -0.769 120.460 121.223 0.010 0.000 2.377 335 L HA 0.122 4.462 4.340 -0.000 0.000 0.270 335 L C -1.588 175.279 176.870 -0.006 0.000 0.991 335 L CA -0.573 54.267 54.840 0.002 0.000 0.851 335 L CB 0.431 42.492 42.059 0.004 0.000 1.218 335 L HN -0.622 7.616 8.230 0.013 0.000 0.420 336 A N 6.820 129.632 122.820 -0.014 0.000 2.466 336 A HA 0.262 4.566 4.320 -0.027 0.000 0.238 336 A C -1.865 175.708 177.584 -0.019 0.000 1.074 336 A CA -1.853 50.170 52.037 -0.023 0.000 0.774 336 A CB -0.701 18.280 19.000 -0.031 0.000 1.015 336 A HN 0.086 8.227 8.150 -0.014 0.000 0.498 337 P HA -0.094 4.318 4.420 -0.015 0.000 0.256 337 P C -1.359 175.931 177.300 -0.017 0.000 1.173 337 P CA 0.903 63.992 63.100 -0.018 0.000 0.768 337 P CB -0.850 30.837 31.700 -0.023 0.000 0.758 338 S N 2.846 118.538 115.700 -0.013 0.000 2.819 338 S HA 0.264 4.726 4.470 -0.013 0.000 0.299 338 S C -0.127 174.467 174.600 -0.010 0.000 1.192 338 S CA -0.663 57.530 58.200 -0.012 0.000 0.847 338 S CB 1.232 64.426 63.200 -0.010 0.000 1.224 338 S HN -0.154 8.150 8.310 -0.011 0.000 0.537 339 G N 0.000 108.795 108.800 -0.009 0.000 5.446 339 G HA2 0.000 nan 3.960 nan 0.000 0.244 339 G HA3 0.000 3.956 3.960 -0.007 0.000 0.244 339 G CA 0.000 45.095 45.100 -0.008 0.000 0.502 339 G HN 0.000 8.285 8.290 -0.009 0.000 0.925