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_A DATA FIRST_RESID 5 DATA SEQUENCE TAAEIAALPR QKVELVDPPF VHAHSQVAEG GPKVVEFTMV IEEKKIVIDD DATA SEQUENCE AGTEVHAMAF NGTVPGPLMV VHQDDYLELT LINPETNTLM HNIDFHAATG DATA SEQUENCE ALGGGGLTEI NPGEKTILRF KATKPGVFVY HCAPPGMVPW HVVSGMNGAI DATA SEQUENCE MVLPREGLHD GKGKALTYDK IYYVGEQDFY VPRDENGKYK KYEAPGDAYE DATA SEQUENCE DTVKVMRTLT PTHVVFNGAV GALTGDKAMT AAVGEKVLIV HSQANRDTRP DATA SEQUENCE HLIGGHGDYV WATGKFNTPP DVDQETWFIP GGAAGAAFYT FQQPGIYAYV DATA SEQUENCE NHNLIEAFEL GAAAHFKVTG EWNDDLMTSV LAPSG 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 5 T HA 0.000 4.345 4.350 -0.008 0.000 0.228 5 T C 0.000 174.684 174.700 -0.027 0.000 1.109 5 T CA 0.000 62.092 62.100 -0.013 0.000 1.349 5 T CB 0.000 68.860 68.868 -0.013 0.000 0.612 6 A N -0.473 122.330 122.820 -0.028 0.000 1.898 6 A HA -0.097 4.193 4.320 -0.050 0.000 0.216 6 A C 1.784 179.338 177.584 -0.050 0.000 1.181 6 A CA 2.746 54.758 52.037 -0.041 0.000 0.620 6 A CB -0.617 18.364 19.000 -0.032 0.000 0.819 6 A HN 0.463 8.601 8.150 -0.021 0.000 0.442 7 A N -1.483 121.313 122.820 -0.039 0.000 1.933 7 A HA -0.300 3.994 4.320 -0.044 0.000 0.218 7 A C 2.439 179.994 177.584 -0.049 0.000 1.175 7 A CA 2.806 54.819 52.037 -0.041 0.000 0.628 7 A CB -0.765 18.216 19.000 -0.031 0.000 0.814 7 A HN 0.162 8.293 8.150 -0.031 0.000 0.444 8 E N -1.129 119.044 120.200 -0.046 0.000 2.051 8 E HA -0.385 3.939 4.350 -0.043 0.000 0.192 8 E C 2.536 179.088 176.600 -0.080 0.000 0.991 8 E CA 2.741 59.112 56.400 -0.049 0.000 0.799 8 E CB -0.041 29.640 29.700 -0.032 0.000 0.748 8 E HN -0.789 7.542 8.360 -0.038 0.007 0.449 9 I N -0.849 119.657 120.570 -0.106 0.000 2.226 9 I HA -0.469 3.556 4.170 -0.240 0.000 0.245 9 I C 1.651 177.660 176.117 -0.180 0.000 1.100 9 I CA 3.772 64.956 61.300 -0.193 0.000 1.374 9 I CB -0.103 37.766 38.000 -0.217 0.000 1.057 9 I HN -0.495 7.664 8.210 -0.085 0.000 0.413 10 A N -1.302 121.443 122.820 -0.125 0.000 2.067 10 A HA -0.239 4.010 4.320 -0.119 0.000 0.219 10 A C 0.795 178.326 177.584 -0.088 0.000 1.158 10 A CA 1.833 53.808 52.037 -0.104 0.000 0.661 10 A CB -0.391 18.564 19.000 -0.076 0.000 0.801 10 A HN -0.200 7.888 8.150 -0.104 0.000 0.452 11 A N -3.314 119.458 122.820 -0.079 0.000 2.218 11 A HA 0.079 4.365 4.320 -0.057 0.000 0.209 11 A C 0.211 177.756 177.584 -0.065 0.000 1.168 11 A CA -0.236 51.764 52.037 -0.062 0.000 0.804 11 A CB 0.287 19.257 19.000 -0.049 0.000 0.834 11 A HN -0.576 7.378 8.150 -0.081 0.148 0.482 12 L N 0.271 121.443 121.223 -0.085 0.000 2.490 12 L HA -0.053 4.256 4.340 -0.052 0.000 0.274 12 L C -2.172 174.658 176.870 -0.067 0.000 1.201 12 L CA -1.426 53.370 54.840 -0.073 0.000 0.869 12 L CB -0.383 41.615 42.059 -0.101 0.000 1.123 12 L HN -0.999 7.014 8.230 -0.108 0.152 0.484 13 P HA 0.013 4.404 4.420 -0.050 0.000 0.267 13 P C -1.428 175.840 177.300 -0.053 0.000 1.205 13 P CA -0.234 62.838 63.100 -0.047 0.000 0.765 13 P CB 0.604 32.283 31.700 -0.035 0.000 0.828 14 R N 1.746 122.207 120.500 -0.064 0.000 2.312 14 R HA 0.425 4.924 4.340 -0.076 -0.205 0.311 14 R C -0.589 175.659 176.300 -0.087 0.000 1.004 14 R CA -0.567 55.486 56.100 -0.078 0.000 0.902 14 R CB 1.560 31.808 30.300 -0.085 0.000 1.073 14 R HN 0.142 8.374 8.270 -0.062 0.000 0.457 15 Q N 5.559 125.293 119.800 -0.110 0.000 2.274 15 Q HA 0.264 4.536 4.340 -0.113 0.000 0.268 15 Q C -1.821 174.036 176.000 -0.238 0.000 1.015 15 Q CA -0.989 54.736 55.803 -0.131 0.000 0.775 15 Q CB 3.700 32.385 28.738 -0.088 0.000 1.256 15 Q HN 0.722 8.924 8.270 -0.113 0.000 0.442 16 K N 6.925 127.180 120.400 -0.243 0.000 2.144 16 K HA 0.383 4.585 4.320 -0.503 -0.183 0.270 16 K C -0.749 175.605 176.600 -0.409 0.000 1.005 16 K CA -0.173 55.896 56.287 -0.364 0.000 0.932 16 K CB 1.128 33.488 32.500 -0.233 0.000 1.021 16 K HN 0.296 8.442 8.250 -0.173 0.000 0.462 17 V N 2.807 122.316 119.914 -0.675 0.000 2.638 17 V HA 0.211 4.205 4.120 -0.211 0.000 0.306 17 V C -1.245 174.725 176.094 -0.208 0.000 1.052 17 V CA -1.409 60.630 62.300 -0.435 0.000 0.885 17 V CB 3.894 35.417 31.823 -0.500 0.000 0.999 17 V HN 0.154 7.755 8.190 -0.981 0.000 0.424 18 E N 5.402 125.588 120.200 -0.022 0.000 2.289 18 E HA 0.097 4.469 4.350 0.038 0.000 0.278 18 E C -0.869 175.828 176.600 0.160 0.000 1.032 18 E CA -0.147 56.288 56.400 0.059 0.000 0.854 18 E CB 0.785 30.517 29.700 0.053 0.000 1.046 18 E HN 0.267 8.623 8.360 -0.006 0.000 0.409 19 L N 1.971 123.303 121.223 0.181 0.000 2.360 19 L HA 0.181 4.683 4.340 0.269 0.000 0.271 19 L C -0.227 176.762 176.870 0.199 0.000 1.057 19 L CA -0.762 54.211 54.840 0.222 0.000 0.803 19 L CB 1.122 43.301 42.059 0.201 0.000 1.207 19 L HN 0.167 8.487 8.230 0.150 0.000 0.445 20 V N -0.763 119.292 119.914 0.235 0.000 3.369 20 V HA 0.272 4.487 4.120 0.158 0.000 0.301 20 V C -0.969 175.263 176.094 0.229 0.000 1.184 20 V CA -2.804 59.620 62.300 0.206 0.000 1.013 20 V CB 1.328 33.282 31.823 0.218 0.000 1.230 20 V HN 0.257 8.620 8.190 0.288 0.000 0.464 21 D N -0.209 120.336 120.400 0.241 0.000 2.256 21 D HA 0.348 5.127 4.640 0.232 0.000 0.246 21 D C -1.888 174.597 176.300 0.308 0.000 1.042 21 D CA -2.548 51.599 54.000 0.246 0.000 0.841 21 D CB 0.403 41.319 40.800 0.194 0.000 1.223 21 D HN 0.068 8.575 8.370 0.228 0.000 0.470 22 P HA 0.078 4.804 4.420 0.207 -0.183 0.267 22 P C -1.452 175.885 177.300 0.062 0.000 1.195 22 P CA -0.628 62.568 63.100 0.159 0.000 0.773 22 P CB -0.255 31.483 31.700 0.062 0.000 0.837 23 P HA 0.171 4.688 4.420 -0.088 -0.150 0.249 23 P C -0.806 176.495 177.300 0.002 0.000 1.229 23 P CA 0.242 63.256 63.100 -0.142 0.000 0.788 23 P CB 1.137 32.660 31.700 -0.295 0.000 1.072 24 F N 0.802 120.888 119.950 0.226 0.000 2.472 24 F HA -0.112 4.570 4.527 0.258 0.000 0.312 24 F C 0.021 175.912 175.800 0.152 0.000 1.256 24 F CA 1.940 60.066 58.000 0.210 0.000 1.275 24 F CB 0.310 39.408 39.000 0.163 0.000 1.228 24 F HN -0.855 7.397 8.300 0.049 0.077 0.567 25 V N -2.736 117.359 119.914 0.302 0.000 3.007 25 V HA 0.211 4.445 4.120 0.190 0.000 0.311 25 V C -0.379 175.789 176.094 0.123 0.000 1.120 25 V CA -1.683 60.703 62.300 0.143 0.000 0.980 25 V CB 2.825 34.647 31.823 -0.001 0.000 1.033 25 V HN 0.026 8.421 8.190 0.341 0.000 0.429 26 H N 1.826 121.026 119.070 0.217 0.000 2.190 26 H HA 0.075 4.741 4.556 0.183 0.000 0.357 26 H C -0.673 174.820 175.328 0.276 0.000 1.993 26 H CA -0.361 55.820 56.048 0.221 0.000 1.395 26 H CB 0.247 30.145 29.762 0.228 0.000 1.620 26 H HN 0.496 8.882 8.280 0.178 0.000 0.530 27 A N -0.101 122.953 122.820 0.391 0.000 2.274 27 A HA 0.111 4.481 4.320 0.082 0.000 0.309 27 A C -1.226 176.598 177.584 0.401 0.000 1.226 27 A CA -0.288 51.892 52.037 0.239 0.000 0.853 27 A CB 0.265 19.366 19.000 0.169 0.000 1.146 27 A HN 0.346 8.804 8.150 0.514 0.000 0.518 28 H N 3.242 122.387 119.070 0.124 0.000 3.014 28 H HA 0.260 4.963 4.556 0.245 0.000 0.337 28 H C -1.933 173.479 175.328 0.139 0.000 1.320 28 H CA -1.064 55.097 56.048 0.189 0.000 1.128 28 H CB 2.095 31.982 29.762 0.209 0.000 1.862 28 H HN 0.082 8.192 8.280 -0.283 0.000 0.536 29 S N -0.716 115.114 115.700 0.216 0.000 2.501 29 S HA 0.182 4.620 4.470 -0.053 0.000 0.301 29 S C 0.237 175.005 174.600 0.280 0.000 1.096 29 S CA -1.028 57.236 58.200 0.108 0.000 1.063 29 S CB 2.558 65.809 63.200 0.084 0.000 1.042 29 S HN 0.132 8.679 8.310 0.394 0.000 0.494 30 Q N 2.053 121.927 119.800 0.123 0.000 1.942 30 Q HA -0.281 4.219 4.340 0.267 0.000 0.203 30 Q C 0.486 176.670 176.000 0.306 0.000 0.987 30 Q CA 2.916 58.816 55.803 0.163 0.000 0.844 30 Q CB 0.228 28.896 28.738 -0.116 0.000 0.911 30 Q HN 0.511 8.762 8.270 -0.031 0.000 0.423 31 V N -0.590 119.392 119.914 0.114 0.000 2.585 31 V HA -0.305 3.989 4.120 0.077 -0.128 0.296 31 V C -0.073 175.967 176.094 -0.090 0.000 1.035 31 V CA 0.554 62.883 62.300 0.048 0.000 1.084 31 V CB -0.407 31.409 31.823 -0.013 0.000 0.953 31 V HN -0.344 7.860 8.190 0.024 0.000 0.483 32 A N 8.604 131.183 122.820 -0.402 0.000 2.498 32 A HA -0.060 3.482 4.320 -1.296 0.000 0.239 32 A C -0.707 176.695 177.584 -0.303 0.000 1.068 32 A CA 0.414 51.973 52.037 -0.798 0.000 0.766 32 A CB 0.889 19.439 19.000 -0.751 0.000 1.003 32 A HN 0.399 8.282 8.150 -0.257 0.113 0.497 33 E N 3.121 123.192 120.200 -0.215 0.000 2.073 33 E HA 0.143 4.439 4.350 -0.090 0.000 0.269 33 E C 0.106 176.658 176.600 -0.080 0.000 0.917 33 E CA -0.719 55.622 56.400 -0.099 0.000 0.757 33 E CB 0.740 30.413 29.700 -0.046 0.000 1.111 33 E HN 0.439 8.656 8.360 -0.239 0.000 0.410 34 G N 4.592 113.349 108.800 -0.071 0.000 2.610 34 G HA2 -0.313 3.622 3.960 -0.042 0.000 0.304 34 G HA3 -0.313 3.622 3.960 -0.041 0.000 0.304 34 G C -1.836 173.031 174.900 -0.055 0.000 1.309 34 G CA -0.787 44.282 45.100 -0.051 0.000 0.906 34 G HN -0.070 8.176 8.290 -0.073 0.000 0.521 35 G N -2.259 106.521 108.800 -0.034 0.000 2.509 35 G HA2 0.214 4.155 3.960 -0.031 0.000 0.269 35 G HA3 0.214 4.166 3.960 -0.013 0.000 0.269 35 G C -2.020 172.876 174.900 -0.007 0.000 1.416 35 G CA -1.372 43.715 45.100 -0.023 0.000 1.052 35 G HN -0.124 8.149 8.290 -0.028 0.000 0.542 36 P HA 0.287 5.082 4.420 0.064 -0.336 0.266 36 P C -1.379 175.961 177.300 0.067 0.000 1.195 36 P CA -0.070 63.071 63.100 0.069 0.000 0.768 36 P CB 0.563 32.341 31.700 0.129 0.000 0.838 37 K N 0.674 121.126 120.400 0.088 0.000 2.523 37 K HA 0.167 4.546 4.320 0.021 -0.047 0.257 37 K C -0.928 175.715 176.600 0.071 0.000 0.932 37 K CA -1.333 54.984 56.287 0.050 0.000 0.812 37 K CB 3.930 36.443 32.500 0.022 0.000 1.326 37 K HN 0.373 9.004 8.250 0.108 -0.316 0.433 38 V N 5.219 125.142 119.914 0.015 0.000 2.397 38 V HA -0.013 4.339 4.120 0.059 -0.197 0.262 38 V C -0.504 175.569 176.094 -0.035 0.000 1.047 38 V CA 0.017 62.314 62.300 -0.005 0.000 1.003 38 V CB -0.542 31.233 31.823 -0.080 0.000 1.037 38 V HN 0.050 8.226 8.190 -0.025 0.000 0.480 39 V N 8.912 128.824 119.914 -0.004 0.000 2.498 39 V HA 0.169 4.386 4.120 -0.110 -0.163 0.279 39 V C -0.909 175.131 176.094 -0.090 0.000 1.048 39 V CA -0.546 61.746 62.300 -0.013 0.000 0.967 39 V CB 0.323 32.307 31.823 0.269 0.000 0.988 39 V HN 0.813 9.015 8.190 0.020 0.000 0.473 40 E N 6.187 126.159 120.200 -0.380 0.000 2.158 40 E HA 0.885 5.397 4.350 -0.121 -0.234 0.271 40 E C -1.024 175.151 176.600 -0.708 0.000 0.911 40 E CA -1.664 54.535 56.400 -0.335 0.000 0.767 40 E CB 2.605 32.155 29.700 -0.250 0.000 1.120 40 E HN 0.450 8.517 8.360 -0.490 0.000 0.405 41 F N 3.044 122.920 119.950 -0.123 0.000 2.578 41 F HA 0.441 4.909 4.527 -0.098 0.000 0.311 41 F C -0.943 174.807 175.800 -0.083 0.000 1.094 41 F CA -0.984 56.948 58.000 -0.113 0.000 0.923 41 F CB 4.302 43.211 39.000 -0.151 0.000 1.230 41 F HN 0.608 8.964 8.300 0.092 0.000 0.450 42 T N 3.864 118.478 114.554 0.100 0.000 2.848 42 T HA 0.615 5.169 4.350 0.054 -0.172 0.285 42 T C -0.952 173.796 174.700 0.081 0.000 0.995 42 T CA -0.256 61.882 62.100 0.062 0.000 0.970 42 T CB 2.012 70.897 68.868 0.029 0.000 0.976 42 T HN 0.401 8.701 8.240 0.100 0.000 0.441 43 M N 6.918 126.564 119.600 0.076 0.000 2.263 43 M HA 0.332 4.991 4.480 0.111 -0.112 0.295 43 M C -2.002 174.384 176.300 0.144 0.000 1.028 43 M CA -0.507 54.857 55.300 0.107 0.000 0.921 43 M CB 4.153 36.806 32.600 0.089 0.000 1.601 43 M HN 0.198 8.525 8.290 0.063 0.000 0.440 44 V N 3.097 123.096 119.914 0.143 0.000 2.481 44 V HA 0.396 4.771 4.120 0.144 -0.169 0.286 44 V C -0.376 175.813 176.094 0.160 0.000 1.042 44 V CA -1.089 61.294 62.300 0.138 0.000 0.928 44 V CB 1.316 33.196 31.823 0.095 0.000 0.986 44 V HN 0.547 8.814 8.190 0.127 0.000 0.462 45 I N 7.722 128.379 120.570 0.145 0.000 2.428 45 I HA 0.177 4.549 4.170 0.030 -0.185 0.289 45 I C -0.728 175.370 176.117 -0.031 0.000 1.019 45 I CA -0.080 61.230 61.300 0.016 0.000 1.351 45 I CB 1.153 39.075 38.000 -0.131 0.000 1.412 45 I HN 0.271 8.573 8.210 0.153 0.000 0.513 46 E N 6.442 126.597 120.200 -0.074 0.000 2.216 46 E HA 0.311 4.654 4.350 -0.011 0.000 0.260 46 E C -1.385 175.172 176.600 -0.073 0.000 0.880 46 E CA -1.183 55.193 56.400 -0.039 0.000 0.765 46 E CB 2.968 32.665 29.700 -0.006 0.000 1.174 46 E HN 0.625 8.918 8.360 -0.112 0.000 0.417 47 E N 7.504 127.681 120.200 -0.040 0.000 2.081 47 E HA 0.553 5.085 4.350 -0.082 -0.231 0.281 47 E C -0.418 176.184 176.600 0.004 0.000 0.986 47 E CA -0.448 55.932 56.400 -0.032 0.000 0.796 47 E CB 0.697 30.406 29.700 0.016 0.000 1.085 47 E HN -0.233 8.330 8.360 -0.006 -0.206 0.398 48 K N 2.476 122.862 120.400 -0.023 0.000 2.430 48 K HA 0.343 4.663 4.320 0.000 0.000 0.268 48 K C -2.302 174.225 176.600 -0.122 0.000 1.043 48 K CA -2.006 54.259 56.287 -0.037 0.000 0.899 48 K CB 2.705 35.182 32.500 -0.040 0.000 1.472 48 K HN 0.075 8.294 8.250 -0.051 0.000 0.451 49 K N 0.147 120.434 120.400 -0.189 0.000 2.234 49 K HA 0.113 4.185 4.320 -0.413 0.000 0.277 49 K C -0.462 176.012 176.600 -0.210 0.000 1.038 49 K CA -0.518 55.575 56.287 -0.322 0.000 0.888 49 K CB 0.469 32.726 32.500 -0.405 0.000 1.091 49 K HN 0.072 8.242 8.250 -0.134 0.000 0.467 50 I N 0.798 121.236 120.570 -0.219 0.000 2.646 50 I HA 0.402 4.490 4.170 -0.137 0.000 0.299 50 I C -1.427 174.565 176.117 -0.208 0.000 1.036 50 I CA -1.444 59.751 61.300 -0.175 0.000 1.074 50 I CB 3.080 40.992 38.000 -0.147 0.000 1.258 50 I HN -0.176 7.877 8.210 -0.263 0.000 0.430 51 V N 4.978 124.793 119.914 -0.166 0.000 2.686 51 V HA 0.505 4.745 4.120 -0.209 -0.246 0.295 51 V C 0.515 176.495 176.094 -0.189 0.000 1.057 51 V CA 0.088 62.282 62.300 -0.175 0.000 1.012 51 V CB 1.136 32.887 31.823 -0.120 0.000 1.006 51 V HN 0.282 8.395 8.190 -0.129 0.000 0.477 52 I N -1.116 119.311 120.570 -0.239 0.000 3.114 52 I HA 0.417 4.500 4.170 -0.145 0.000 0.326 52 I C -1.992 174.007 176.117 -0.196 0.000 1.510 52 I CA -1.061 60.106 61.300 -0.220 0.000 0.918 52 I CB 0.577 38.382 38.000 -0.324 0.000 1.561 52 I HN 0.200 8.245 8.210 -0.275 0.000 0.565 53 D N -0.056 120.256 120.400 -0.147 0.000 2.751 53 D HA 0.097 4.721 4.640 -0.028 0.000 0.236 53 D C -0.939 175.338 176.300 -0.038 0.000 1.196 53 D CA -0.614 53.342 54.000 -0.075 0.000 0.741 53 D CB 2.315 43.050 40.800 -0.108 0.000 1.474 53 D HN -0.591 7.697 8.370 -0.136 0.000 0.452 54 D N -0.005 120.396 120.400 0.001 0.000 2.389 54 D HA -0.264 4.373 4.640 -0.004 0.000 0.221 54 D C -0.196 176.114 176.300 0.015 0.000 0.974 54 D CA 2.016 56.020 54.000 0.008 0.000 0.923 54 D CB -0.508 40.305 40.800 0.022 0.000 0.892 54 D HN 0.375 8.755 8.370 0.018 0.000 0.518 55 A N -2.115 120.722 122.820 0.030 0.000 2.337 55 A HA 0.047 4.393 4.320 0.043 0.000 0.227 55 A C 0.714 178.313 177.584 0.025 0.000 1.259 55 A CA -0.365 51.702 52.037 0.051 0.000 0.870 55 A CB -0.446 18.628 19.000 0.122 0.000 0.927 55 A HN -0.497 7.820 8.150 0.031 -0.149 0.497 56 G N -0.750 108.039 108.800 -0.019 0.000 2.147 56 G HA2 -0.412 3.514 3.960 -0.057 0.000 0.244 56 G HA3 -0.412 3.534 3.960 -0.022 0.000 0.244 56 G C -0.520 174.335 174.900 -0.075 0.000 1.005 56 G CA 0.211 45.286 45.100 -0.042 0.000 0.713 56 G HN -0.258 7.975 8.290 -0.028 0.040 0.515 57 T N 0.941 115.414 114.554 -0.135 0.000 2.940 57 T HA -0.198 4.067 4.350 -0.141 0.000 0.309 57 T C -1.696 172.845 174.700 -0.266 0.000 1.056 57 T CA 2.841 64.787 62.100 -0.256 0.000 1.137 57 T CB 0.766 69.258 68.868 -0.627 0.000 0.976 57 T HN 0.194 9.094 8.240 -0.128 -0.737 0.547 58 E N 4.656 124.722 120.200 -0.224 0.000 2.248 58 E HA 0.630 5.004 4.350 -0.263 -0.182 0.267 58 E C -1.520 174.940 176.600 -0.233 0.000 0.877 58 E CA -1.090 55.175 56.400 -0.226 0.000 0.759 58 E CB 3.585 33.187 29.700 -0.164 0.000 1.182 58 E HN 0.199 8.459 8.360 -0.166 0.000 0.418 59 V N 2.385 122.108 119.914 -0.318 0.000 2.483 59 V HA 0.240 4.290 4.120 -0.118 0.000 0.297 59 V C -1.047 174.912 176.094 -0.225 0.000 1.027 59 V CA -2.150 59.979 62.300 -0.284 0.000 0.855 59 V CB 3.042 34.506 31.823 -0.599 0.000 0.995 59 V HN 0.447 8.427 8.190 -0.349 0.000 0.424 60 H N 8.487 127.506 119.070 -0.085 0.000 3.440 60 H HA -0.196 4.466 4.556 -0.061 -0.143 0.232 60 H C -0.634 174.619 175.328 -0.125 0.000 1.130 60 H CA 0.986 56.995 56.048 -0.064 0.000 1.459 60 H CB -1.846 27.922 29.762 0.010 0.000 1.607 60 H HN 0.384 8.802 8.280 0.229 0.000 0.515 61 A N 5.067 127.832 122.820 -0.091 0.000 2.340 61 A HA 0.241 4.706 4.320 -0.088 -0.198 0.268 61 A C -1.274 176.234 177.584 -0.125 0.000 1.100 61 A CA -0.821 51.155 52.037 -0.102 0.000 0.803 61 A CB 2.252 21.194 19.000 -0.097 0.000 1.043 61 A HN 0.448 8.514 8.150 -0.140 0.000 0.488 62 M N 2.060 121.551 119.600 -0.181 0.000 2.078 62 M HA 0.176 4.493 4.480 -0.273 0.000 0.320 62 M C -1.999 174.111 176.300 -0.318 0.000 0.969 62 M CA -0.591 54.529 55.300 -0.300 0.000 0.929 62 M CB 1.365 33.726 32.600 -0.400 0.000 1.504 62 M HN -0.302 7.902 8.290 -0.143 0.000 0.419 63 A N 3.198 125.835 122.820 -0.305 0.000 2.374 63 A HA 0.591 4.810 4.320 -0.169 0.000 0.305 63 A C -1.944 175.519 177.584 -0.201 0.000 1.053 63 A CA -1.924 49.996 52.037 -0.194 0.000 0.726 63 A CB 3.619 22.592 19.000 -0.045 0.000 1.229 63 A HN 0.063 8.051 8.150 -0.270 0.000 0.431 64 F N 3.125 123.105 119.950 0.050 0.000 2.445 64 F HA -0.118 4.421 4.527 0.019 0.000 0.359 64 F C 0.237 176.088 175.800 0.085 0.000 1.101 64 F CA 0.215 58.254 58.000 0.066 0.000 1.177 64 F CB 0.764 39.843 39.000 0.131 0.000 1.110 64 F HN 0.489 8.837 8.300 0.079 0.000 0.522 65 N N 2.667 121.532 118.700 0.275 0.000 2.850 65 N HA -0.338 4.498 4.740 0.159 0.000 0.249 65 N C 0.308 175.899 175.510 0.135 0.000 1.060 65 N CA 1.091 54.253 53.050 0.186 0.000 0.825 65 N CB -0.227 38.379 38.487 0.200 0.000 1.132 65 N HN 0.679 9.127 8.380 0.286 0.103 0.564 66 G N -4.144 104.716 108.800 0.100 0.000 2.168 66 G HA2 -0.433 3.545 3.960 0.029 0.000 0.257 66 G HA3 -0.433 3.632 3.960 0.059 -0.070 0.257 66 G C -1.015 173.928 174.900 0.071 0.000 0.997 66 G CA 1.181 46.317 45.100 0.061 0.000 0.708 66 G HN -0.315 7.989 8.290 0.095 0.043 0.520 67 T N -2.295 112.321 114.554 0.104 0.000 2.971 67 T HA 0.250 4.646 4.350 0.076 0.000 0.304 67 T C -1.950 172.824 174.700 0.124 0.000 1.038 67 T CA -1.707 60.457 62.100 0.106 0.000 1.007 67 T CB 2.665 71.612 68.868 0.131 0.000 1.055 67 T HN -0.753 7.532 8.240 0.133 0.035 0.451 68 V N 5.334 125.305 119.914 0.096 0.000 2.347 68 V HA 0.348 4.544 4.120 0.127 0.000 0.280 68 V C -1.945 174.192 176.094 0.070 0.000 1.021 68 V CA -3.255 59.109 62.300 0.106 0.000 0.847 68 V CB 1.927 33.828 31.823 0.131 0.000 0.990 68 V HN 0.278 8.513 8.190 0.076 0.000 0.444 69 P HA 0.191 4.684 4.420 0.121 0.000 0.282 69 P C -0.575 176.879 177.300 0.257 0.000 1.259 69 P CA -1.350 61.825 63.100 0.126 0.000 0.826 69 P CB 1.018 32.768 31.700 0.083 0.000 1.064 70 G N -1.097 107.919 108.800 0.361 0.000 2.945 70 G HA2 -0.184 4.268 3.960 0.395 0.000 0.248 70 G HA3 -0.184 4.220 3.960 0.740 0.000 0.248 70 G C -0.965 174.224 174.900 0.482 0.000 1.250 70 G CA -0.618 44.782 45.100 0.500 0.000 0.886 70 G HN -0.453 8.032 8.290 0.325 0.000 0.609 71 P HA -0.042 4.592 4.420 0.356 0.000 0.282 71 P C -1.600 175.860 177.300 0.267 0.000 1.249 71 P CA -0.702 62.589 63.100 0.319 0.000 0.806 71 P CB 1.353 33.189 31.700 0.226 0.000 0.984 72 L N 2.532 123.873 121.223 0.197 0.000 2.278 72 L HA 0.293 4.881 4.340 -0.035 -0.270 0.287 72 L C -0.725 176.151 176.870 0.010 0.000 1.072 72 L CA -0.783 54.050 54.840 -0.012 0.000 0.819 72 L CB 0.855 42.799 42.059 -0.192 0.000 1.176 72 L HN 0.048 8.447 8.230 0.282 0.000 0.435 73 M N 6.269 125.795 119.600 -0.123 0.000 2.277 73 M HA 0.155 4.358 4.480 -0.462 0.000 0.350 73 M C -1.544 174.628 176.300 -0.214 0.000 1.180 73 M CA 0.284 55.350 55.300 -0.390 0.000 1.103 73 M CB 1.684 33.850 32.600 -0.724 0.000 1.577 73 M HN -0.214 8.027 8.290 -0.082 0.000 0.459 74 V N 2.987 122.842 119.914 -0.099 0.000 2.525 74 V HA 0.687 4.909 4.120 -0.133 -0.181 0.299 74 V C -0.975 175.090 176.094 -0.047 0.000 1.034 74 V CA -1.179 61.082 62.300 -0.064 0.000 0.863 74 V CB 2.063 33.761 31.823 -0.209 0.000 0.999 74 V HN 0.217 8.256 8.190 -0.253 0.000 0.423 75 V N 2.970 122.827 119.914 -0.095 0.000 3.156 75 V HA 0.535 4.722 4.120 0.112 0.000 0.310 75 V C -2.263 173.755 176.094 -0.126 0.000 1.234 75 V CA -3.414 58.879 62.300 -0.012 0.000 1.065 75 V CB 2.848 34.666 31.823 -0.009 0.000 1.088 75 V HN 0.160 8.279 8.190 -0.118 0.000 0.451 76 H N -1.378 117.712 119.070 0.034 0.000 2.630 76 H HA 0.526 5.356 4.556 0.050 -0.244 0.343 76 H C 0.004 175.330 175.328 -0.004 0.000 1.232 76 H CA -1.485 54.581 56.048 0.030 0.000 1.294 76 H CB 2.466 32.245 29.762 0.029 0.000 1.746 76 H HN -0.345 8.258 8.280 0.255 -0.170 0.593 77 Q N 0.403 120.283 119.800 0.134 0.000 2.311 77 Q HA -0.466 3.988 4.340 0.007 -0.111 0.272 77 Q C -0.110 175.888 176.000 -0.003 0.000 1.012 77 Q CA 2.261 58.090 55.803 0.043 0.000 0.891 77 Q CB 0.352 29.124 28.738 0.058 0.000 1.201 77 Q HN -0.280 8.099 8.270 0.181 0.000 0.391 78 D N 2.317 122.655 120.400 -0.102 0.000 1.943 78 D HA -0.227 4.287 4.640 -0.210 0.000 0.224 78 D C -0.588 175.546 176.300 -0.275 0.000 1.186 78 D CA 2.409 56.315 54.000 -0.158 0.000 1.453 78 D CB -0.741 40.039 40.800 -0.032 0.000 1.424 78 D HN 0.968 9.140 8.370 -0.137 0.116 0.666 79 D N 0.633 120.953 120.400 -0.133 0.000 2.382 79 D HA 0.091 4.810 4.640 0.132 0.000 0.240 79 D C -0.427 175.701 176.300 -0.286 0.000 1.146 79 D CA 0.731 54.702 54.000 -0.048 0.000 0.897 79 D CB 0.576 41.401 40.800 0.043 0.000 1.197 79 D HN -0.477 7.773 8.370 -0.050 0.090 0.432 80 Y N -1.758 118.435 120.300 -0.178 0.000 2.330 80 Y HA 0.260 4.686 4.550 -0.447 -0.144 0.336 80 Y C -0.409 175.234 175.900 -0.428 0.000 1.036 80 Y CA -1.039 56.858 58.100 -0.338 0.000 1.125 80 Y CB 1.518 39.834 38.460 -0.239 0.000 1.194 80 Y HN -0.375 8.159 8.280 0.423 0.000 0.469 81 L N 2.893 123.686 121.223 -0.717 0.000 2.276 81 L HA 0.375 4.700 4.340 -0.237 -0.128 0.286 81 L C -1.759 174.845 176.870 -0.444 0.000 1.061 81 L CA -0.865 53.616 54.840 -0.598 0.000 0.807 81 L CB 1.991 43.513 42.059 -0.895 0.000 1.177 81 L HN 0.397 7.856 8.230 -1.284 0.000 0.429 82 E N 7.740 127.841 120.200 -0.165 0.000 2.186 82 E HA 0.485 4.963 4.350 -0.104 -0.190 0.255 82 E C -2.389 174.190 176.600 -0.035 0.000 0.881 82 E CA -1.664 54.678 56.400 -0.096 0.000 0.752 82 E CB 3.015 32.669 29.700 -0.077 0.000 1.176 82 E HN 0.860 9.184 8.360 -0.061 0.000 0.421 83 L N 8.620 129.822 121.223 -0.036 0.000 2.325 83 L HA 1.016 5.630 4.340 0.035 -0.253 0.281 83 L C -1.549 175.327 176.870 0.011 0.000 1.004 83 L CA -1.540 53.296 54.840 -0.007 0.000 0.823 83 L CB 3.550 45.566 42.059 -0.072 0.000 1.236 83 L HN 0.337 8.542 8.230 -0.042 0.000 0.415 84 T N 9.707 124.271 114.554 0.018 0.000 2.727 84 T HA 0.391 4.969 4.350 0.030 -0.210 0.298 84 T C -1.209 173.517 174.700 0.044 0.000 0.942 84 T CA 0.370 62.486 62.100 0.027 0.000 0.997 84 T CB -0.135 68.743 68.868 0.016 0.000 0.917 84 T HN 0.300 8.552 8.240 0.020 0.000 0.487 85 L N 8.743 130.001 121.223 0.058 0.000 2.343 85 L HA 0.742 5.312 4.340 0.082 -0.180 0.275 85 L C -2.072 174.863 176.870 0.109 0.000 1.056 85 L CA -1.402 53.490 54.840 0.087 0.000 0.804 85 L CB 3.349 45.466 42.059 0.095 0.000 1.203 85 L HN -0.264 8.002 8.230 0.059 0.000 0.440 86 I N 1.891 122.541 120.570 0.133 0.000 2.534 86 I HA 0.125 4.360 4.170 0.109 0.000 0.288 86 I C -2.647 173.556 176.117 0.143 0.000 1.077 86 I CA -0.526 60.846 61.300 0.119 0.000 1.051 86 I CB 3.677 41.731 38.000 0.090 0.000 1.234 86 I HN 0.045 8.349 8.210 0.157 0.000 0.425 87 N N 7.201 125.986 118.700 0.141 0.000 2.621 87 N HA 0.569 5.401 4.740 0.153 0.000 0.237 87 N C -2.708 172.870 175.510 0.113 0.000 0.997 87 N CA -3.530 49.613 53.050 0.155 0.000 0.918 87 N CB 2.021 40.632 38.487 0.208 0.000 1.122 87 N HN -0.073 8.383 8.380 0.127 0.000 0.510 88 P HA -0.030 4.428 4.420 0.064 0.000 0.267 88 P C 0.541 177.882 177.300 0.067 0.000 1.201 88 P CA -0.053 63.089 63.100 0.071 0.000 0.775 88 P CB 0.589 32.326 31.700 0.061 0.000 0.854 89 E N -0.068 120.165 120.200 0.054 0.000 2.204 89 E HA -0.386 3.955 4.350 0.051 0.039 0.195 89 E C 0.339 176.968 176.600 0.047 0.000 0.990 89 E CA 2.875 59.304 56.400 0.048 0.000 0.821 89 E CB -0.957 28.766 29.700 0.039 0.000 0.750 89 E HN 0.459 8.849 8.360 0.050 0.000 0.477 90 T N -5.529 109.053 114.554 0.047 0.000 2.833 90 T HA -0.239 4.135 4.350 0.040 0.000 0.269 90 T C 0.459 175.190 174.700 0.052 0.000 1.054 90 T CA 1.226 63.352 62.100 0.045 0.000 1.135 90 T CB -0.379 68.514 68.868 0.041 0.000 0.869 90 T HN -0.277 7.962 8.240 0.047 0.029 0.466 91 N N 2.362 121.100 118.700 0.063 0.000 2.340 91 N HA -0.202 4.582 4.740 0.074 0.000 0.236 91 N C -0.011 175.538 175.510 0.064 0.000 1.296 91 N CA 1.103 54.200 53.050 0.078 0.000 0.896 91 N CB 0.645 39.203 38.487 0.118 0.000 1.127 91 N HN -0.671 7.631 8.380 0.066 0.118 0.442 92 T N -4.046 110.544 114.554 0.059 0.000 3.111 92 T HA 0.107 4.478 4.350 0.034 0.000 0.284 92 T C -1.172 173.536 174.700 0.013 0.000 0.983 92 T CA -0.544 61.578 62.100 0.037 0.000 0.900 92 T CB 1.344 70.236 68.868 0.040 0.000 1.132 92 T HN 0.043 8.591 8.240 0.070 -0.266 0.531 93 L N 0.928 122.136 121.223 -0.024 0.000 2.410 93 L HA 0.287 4.595 4.340 -0.054 0.000 0.270 93 L C -1.102 175.572 176.870 -0.327 0.000 0.983 93 L CA -1.359 53.401 54.840 -0.134 0.000 0.822 93 L CB 2.899 44.850 42.059 -0.181 0.000 1.285 93 L HN -1.037 7.313 8.230 0.018 -0.108 0.409 94 M N 2.916 122.395 119.600 -0.202 0.000 2.238 94 M HA -0.107 4.454 4.480 -0.084 -0.131 0.347 94 M C -1.342 174.771 176.300 -0.312 0.000 1.173 94 M CA 0.470 55.672 55.300 -0.163 0.000 1.147 94 M CB 0.165 32.739 32.600 -0.044 0.000 1.547 94 M HN -0.041 8.189 8.290 -0.100 0.000 0.455 95 H N 4.253 123.403 119.070 0.133 0.000 3.513 95 H HA 0.419 5.047 4.556 0.120 0.000 0.278 95 H C -1.220 174.189 175.328 0.136 0.000 1.683 95 H CA -1.011 55.126 56.048 0.149 0.000 1.552 95 H CB 3.738 33.612 29.762 0.186 0.000 1.474 95 H HN -0.064 8.293 8.280 0.128 0.000 0.870 96 N N -4.024 114.907 118.700 0.383 0.000 4.713 96 N HA 0.043 5.141 4.740 0.235 -0.217 0.202 96 N C -2.598 173.085 175.510 0.289 0.000 1.194 96 N CA 0.028 53.233 53.050 0.258 0.000 0.865 96 N CB 1.526 40.099 38.487 0.143 0.000 1.525 96 N HN 0.036 8.744 8.380 0.546 0.000 0.518 97 I N -0.351 120.312 120.570 0.156 0.000 2.498 97 I HA 0.185 4.392 4.170 0.062 0.000 0.290 97 I C -2.688 173.401 176.117 -0.047 0.000 1.032 97 I CA -1.244 60.054 61.300 -0.002 0.000 1.073 97 I CB 3.155 41.047 38.000 -0.180 0.000 1.251 97 I HN 0.074 8.368 8.210 0.140 0.000 0.426 98 D N 9.386 129.690 120.400 -0.159 0.000 2.440 98 D HA 0.349 5.150 4.640 -0.042 -0.186 0.239 98 D C -1.078 174.995 176.300 -0.378 0.000 1.084 98 D CA -2.089 51.819 54.000 -0.154 0.000 0.843 98 D CB 1.680 42.454 40.800 -0.042 0.000 1.097 98 D HN -0.140 8.140 8.370 -0.150 0.000 0.531 99 F N 5.511 125.341 119.950 -0.202 0.000 2.404 99 F HA 0.127 4.613 4.527 -0.068 0.000 0.358 99 F C 0.802 176.462 175.800 -0.234 0.000 1.120 99 F CA -0.739 57.129 58.000 -0.220 0.000 1.144 99 F CB 0.664 39.404 39.000 -0.434 0.000 1.133 99 F HN 0.881 9.172 8.300 0.109 0.075 0.495 100 H N 5.851 124.841 119.070 -0.133 0.000 2.426 100 H HA -0.373 4.124 4.556 -0.098 0.000 0.298 100 H C 0.633 175.830 175.328 -0.219 0.000 1.107 100 H CA 3.650 59.646 56.048 -0.088 0.000 1.298 100 H CB 0.471 30.279 29.762 0.076 0.000 1.377 100 H HN -0.177 8.226 8.280 0.205 0.000 0.519 101 A N -3.551 119.132 122.820 -0.229 0.000 2.252 101 A HA -0.120 3.574 4.320 -1.043 0.000 0.207 101 A C -1.309 175.934 177.584 -0.568 0.000 1.194 101 A CA 0.308 51.950 52.037 -0.658 0.000 0.809 101 A CB -0.229 18.429 19.000 -0.570 0.000 0.814 101 A HN -0.187 7.918 8.150 -0.028 0.028 0.482 102 A N -2.840 119.638 122.820 -0.571 0.000 2.313 102 A HA 0.464 4.510 4.320 -0.457 0.000 0.323 102 A C -1.021 176.414 177.584 -0.249 0.000 1.133 102 A CA -1.119 50.585 52.037 -0.554 0.000 0.847 102 A CB 1.985 20.507 19.000 -0.796 0.000 1.308 102 A HN -0.382 7.314 8.150 -0.432 0.195 0.475 103 T N 1.750 116.226 114.554 -0.130 0.000 2.906 103 T HA 0.137 4.430 4.350 -0.095 0.000 0.302 103 T C -0.399 174.281 174.700 -0.034 0.000 1.002 103 T CA 0.092 62.147 62.100 -0.075 0.000 0.988 103 T CB 0.607 69.446 68.868 -0.048 0.000 0.972 103 T HN 0.164 8.356 8.240 -0.081 0.000 0.447 104 G N 4.159 112.937 108.800 -0.036 0.000 2.841 104 G HA2 -0.176 3.778 3.960 -0.010 0.000 0.684 104 G HA3 -0.176 3.786 3.960 0.005 0.000 0.684 104 G C -1.372 173.523 174.900 -0.007 0.000 1.273 104 G CA -0.490 44.604 45.100 -0.010 0.000 0.811 104 G HN -0.242 8.015 8.290 -0.055 0.000 0.631 105 A N 1.532 124.352 122.820 -0.000 0.000 2.876 105 A HA -0.279 4.048 4.320 0.012 0.000 0.287 105 A C 0.178 177.762 177.584 0.000 0.000 1.455 105 A CA 0.476 52.518 52.037 0.008 0.000 0.744 105 A CB -1.483 17.531 19.000 0.023 0.000 1.041 105 A HN 0.394 8.544 8.150 0.000 0.000 0.500 106 L N -5.909 115.307 121.223 -0.013 0.000 3.839 106 L HA -0.470 3.851 4.340 -0.032 0.000 0.416 106 L C 0.542 177.388 176.870 -0.040 0.000 1.195 106 L CA 0.793 55.621 54.840 -0.020 0.000 0.946 106 L CB -2.079 39.984 42.059 0.006 0.000 1.891 106 L HN 0.140 8.361 8.230 -0.014 0.000 0.963 107 G N -6.015 102.747 108.800 -0.064 0.000 2.160 107 G HA2 -0.392 3.486 3.960 -0.137 0.000 0.244 107 G HA3 -0.392 3.794 3.960 -0.129 -0.304 0.244 107 G C 0.185 175.067 174.900 -0.030 0.000 1.022 107 G CA 0.211 45.253 45.100 -0.097 0.000 0.741 107 G HN 0.085 8.321 8.290 -0.059 0.019 0.508 108 G N -2.410 106.394 108.800 0.007 0.000 2.194 108 G HA2 -0.454 3.545 3.960 0.065 0.000 0.236 108 G HA3 -0.454 3.571 3.960 0.108 0.000 0.236 108 G C 1.148 176.090 174.900 0.071 0.000 0.987 108 G CA 0.377 45.516 45.100 0.064 0.000 0.635 108 G HN 0.081 8.214 8.290 -0.003 0.155 0.520 109 G N 2.801 111.632 108.800 0.051 0.000 2.422 109 G HA2 -0.216 3.858 3.960 0.082 0.000 0.218 109 G HA3 -0.216 3.781 3.960 0.061 0.000 0.218 109 G C 0.996 175.930 174.900 0.056 0.000 1.140 109 G CA 1.112 46.250 45.100 0.064 0.000 0.775 109 G HN -0.295 7.945 8.290 0.030 0.068 0.545 110 G N -0.355 108.471 108.800 0.042 0.000 2.598 110 G HA2 -0.019 3.961 3.960 0.035 0.000 0.215 110 G HA3 -0.019 3.958 3.960 0.030 0.000 0.215 110 G C 0.215 175.141 174.900 0.042 0.000 1.131 110 G CA 0.519 45.641 45.100 0.037 0.000 0.785 110 G HN -0.488 7.824 8.290 0.036 0.000 0.539 111 L N -1.554 119.701 121.223 0.052 0.000 3.289 111 L HA 0.436 4.804 4.340 0.048 0.000 0.291 111 L C -1.183 175.728 176.870 0.069 0.000 1.279 111 L CA -0.814 54.059 54.840 0.055 0.000 1.025 111 L CB -0.260 41.831 42.059 0.054 0.000 1.413 111 L HN -0.865 7.237 8.230 0.057 0.163 0.593 112 T N -4.103 110.498 114.554 0.078 0.000 3.475 112 T HA 0.065 4.470 4.350 0.091 0.000 0.310 112 T C -0.319 174.446 174.700 0.108 0.000 0.963 112 T CA -0.405 61.754 62.100 0.097 0.000 0.985 112 T CB 0.899 69.837 68.868 0.116 0.000 1.198 112 T HN -0.669 7.555 8.240 0.073 0.060 0.508 113 E N 3.177 123.428 120.200 0.085 0.000 2.220 113 E HA 0.286 4.944 4.350 0.099 -0.249 0.272 113 E C -0.605 176.046 176.600 0.084 0.000 1.099 113 E CA -0.103 56.346 56.400 0.082 0.000 0.907 113 E CB -0.244 29.487 29.700 0.052 0.000 1.022 113 E HN -0.047 8.355 8.360 0.071 0.000 0.428 114 I N 1.310 121.946 120.570 0.110 0.000 2.447 114 I HA 0.360 4.578 4.170 0.080 0.000 0.287 114 I C -1.680 174.495 176.117 0.097 0.000 1.023 114 I CA -1.637 59.725 61.300 0.104 0.000 1.083 114 I CB 2.039 40.116 38.000 0.128 0.000 1.245 114 I HN -0.537 7.758 8.210 0.141 0.000 0.434 115 N N 6.970 125.710 118.700 0.067 0.000 2.463 115 N HA 0.371 5.133 4.740 0.036 0.000 0.270 115 N C -1.948 173.601 175.510 0.065 0.000 1.205 115 N CA -1.797 51.283 53.050 0.050 0.000 0.974 115 N CB 0.261 38.767 38.487 0.031 0.000 1.197 115 N HN -0.340 8.295 8.380 0.059 -0.220 0.504 116 P HA -0.567 4.132 4.420 0.088 -0.226 0.259 116 P C 0.401 177.736 177.300 0.058 0.000 1.155 116 P CA 1.679 64.820 63.100 0.068 0.000 0.759 116 P CB -0.408 31.323 31.700 0.052 0.000 0.753 117 G N 4.043 112.881 108.800 0.063 0.000 2.141 117 G HA2 -0.459 3.531 3.960 0.050 0.000 0.231 117 G HA3 -0.459 3.527 3.960 0.044 0.000 0.231 117 G C -1.292 173.639 174.900 0.053 0.000 0.984 117 G CA -0.157 44.973 45.100 0.051 0.000 0.660 117 G HN 0.693 8.838 8.290 0.073 0.189 0.525 118 E N -0.096 120.144 120.200 0.066 0.000 2.314 118 E HA 0.301 4.683 4.350 0.053 0.000 0.272 118 E C -1.942 174.705 176.600 0.078 0.000 0.884 118 E CA -1.140 55.299 56.400 0.064 0.000 0.753 118 E CB 4.050 33.787 29.700 0.061 0.000 1.213 118 E HN -0.478 7.893 8.360 0.077 0.036 0.432 119 K N 1.351 121.792 120.400 0.068 0.000 2.469 119 K HA 0.564 4.998 4.320 0.094 -0.058 0.254 119 K C -1.691 174.947 176.600 0.063 0.000 0.939 119 K CA -1.233 55.099 56.287 0.074 0.000 0.812 119 K CB 2.932 35.471 32.500 0.065 0.000 1.301 119 K HN 0.152 8.436 8.250 0.056 0.000 0.433 120 T N 0.667 115.262 114.554 0.067 0.000 2.742 120 T HA 0.330 4.708 4.350 0.046 0.000 0.282 120 T C -2.051 172.678 174.700 0.048 0.000 1.025 120 T CA -2.555 59.578 62.100 0.056 0.000 1.020 120 T CB 2.377 71.284 68.868 0.064 0.000 1.317 120 T HN 0.192 8.480 8.240 0.079 0.000 0.538 121 I N 1.112 121.707 120.570 0.041 0.000 2.534 121 I HA 0.349 4.731 4.170 0.032 -0.193 0.286 121 I C -1.647 174.492 176.117 0.037 0.000 1.094 121 I CA -0.596 60.723 61.300 0.030 0.000 1.055 121 I CB 2.377 40.384 38.000 0.013 0.000 1.225 121 I HN 0.207 8.442 8.210 0.041 0.000 0.435 122 L N 7.535 128.787 121.223 0.048 0.000 2.362 122 L HA 0.433 4.811 4.340 0.062 0.000 0.275 122 L C -2.335 174.574 176.870 0.066 0.000 0.998 122 L CA -0.803 54.079 54.840 0.071 0.000 0.820 122 L CB 3.795 45.920 42.059 0.110 0.000 1.270 122 L HN 0.067 8.324 8.230 0.045 0.000 0.415 123 R N 6.664 127.201 120.500 0.062 0.000 2.494 123 R HA 0.891 5.444 4.340 -0.067 -0.254 0.305 123 R C -1.270 175.096 176.300 0.109 0.000 0.959 123 R CA -1.395 54.712 56.100 0.012 0.000 0.864 123 R CB 2.588 32.875 30.300 -0.023 0.000 1.159 123 R HN 0.205 8.513 8.270 0.065 0.000 0.446 124 F N 2.566 122.524 119.950 0.013 0.000 2.588 124 F HA 0.415 4.976 4.527 0.056 0.000 0.310 124 F C -2.465 173.324 175.800 -0.019 0.000 1.082 124 F CA -2.148 55.857 58.000 0.009 0.000 0.929 124 F CB 3.059 42.020 39.000 -0.065 0.000 1.254 124 F HN 0.531 8.518 8.300 -0.522 0.000 0.455 125 K N 2.799 123.224 120.400 0.041 0.000 2.297 125 K HA -0.014 3.649 4.320 -1.094 0.000 0.286 125 K C -0.501 175.986 176.600 -0.188 0.000 1.053 125 K CA -0.499 55.480 56.287 -0.514 0.000 0.940 125 K CB 0.820 32.991 32.500 -0.548 0.000 1.019 125 K HN 0.430 8.804 8.250 0.207 0.000 0.475 126 A N 7.882 130.509 122.820 -0.322 0.000 2.671 126 A HA 0.375 4.782 4.320 0.144 0.000 0.306 126 A C -0.323 177.179 177.584 -0.135 0.000 1.473 126 A CA -0.746 51.252 52.037 -0.065 0.000 1.155 126 A CB -0.151 18.801 19.000 -0.080 0.000 1.123 126 A HN 0.418 8.211 8.150 -0.594 0.000 0.545 127 T N -1.069 113.422 114.554 -0.104 0.000 3.065 127 T HA -0.001 4.286 4.350 -0.105 0.000 0.252 127 T C 0.093 174.762 174.700 -0.051 0.000 1.099 127 T CA 0.031 62.078 62.100 -0.089 0.000 1.063 127 T CB 0.440 69.267 68.868 -0.068 0.000 0.948 127 T HN -0.053 8.144 8.240 -0.071 0.000 0.506 128 K N 0.812 121.170 120.400 -0.069 0.000 2.378 128 K HA 0.401 4.744 4.320 0.040 0.000 0.252 128 K C -2.876 173.768 176.600 0.073 0.000 0.931 128 K CA -3.345 52.941 56.287 -0.002 0.000 0.794 128 K CB 2.372 34.855 32.500 -0.029 0.000 1.181 128 K HN -0.613 7.522 8.250 -0.123 0.041 0.425 129 P HA 0.079 4.822 4.420 0.308 -0.138 0.292 129 P C -1.242 176.275 177.300 0.362 0.000 1.287 129 P CA -1.152 62.153 63.100 0.343 0.000 0.800 129 P CB 1.053 32.973 31.700 0.366 0.000 0.945 130 G N 0.929 109.874 108.800 0.242 0.000 2.312 130 G HA2 -0.073 2.779 3.960 -1.848 0.000 0.347 130 G HA3 -0.073 3.678 3.960 -0.512 -0.098 0.347 130 G C -2.032 172.675 174.900 -0.323 0.000 1.564 130 G CA -0.177 44.584 45.100 -0.565 0.000 0.981 130 G HN 0.026 8.545 8.290 0.381 0.000 0.678 131 V N -3.374 116.111 119.914 -0.715 0.000 2.811 131 V HA 0.590 4.836 4.120 -0.102 -0.188 0.302 131 V C -1.469 174.191 176.094 -0.722 0.000 1.063 131 V CA -0.511 61.544 62.300 -0.409 0.000 1.088 131 V CB 0.474 32.086 31.823 -0.352 0.000 0.982 131 V HN -0.447 7.177 8.190 -0.943 0.000 0.485 132 F N 2.520 122.396 119.950 -0.124 0.000 2.619 132 F HA 0.338 4.789 4.527 -0.126 0.000 0.308 132 F C -1.428 174.290 175.800 -0.136 0.000 1.097 132 F CA -1.193 56.745 58.000 -0.102 0.000 0.953 132 F CB 4.391 43.380 39.000 -0.019 0.000 1.287 132 F HN 0.290 8.658 8.300 0.112 0.000 0.446 133 V N 1.809 121.654 119.914 -0.115 0.000 2.439 133 V HA 0.117 4.227 4.120 -0.244 -0.136 0.282 133 V C -0.782 175.135 176.094 -0.295 0.000 1.039 133 V CA -0.550 61.588 62.300 -0.269 0.000 0.913 133 V CB 1.287 32.906 31.823 -0.340 0.000 0.983 133 V HN 0.542 8.604 8.190 -0.214 0.000 0.460 134 Y N 5.012 125.173 120.300 -0.233 0.000 2.419 134 Y HA 0.766 5.082 4.550 -0.653 -0.157 0.328 134 Y C -1.079 174.592 175.900 -0.382 0.000 1.162 134 Y CA -3.210 54.542 58.100 -0.580 0.000 1.174 134 Y CB 2.426 40.217 38.460 -1.115 0.000 1.228 134 Y HN -0.294 7.570 8.280 -0.693 0.000 0.473 135 H N -3.667 115.361 119.070 -0.069 0.000 3.121 135 H HA 0.357 5.130 4.556 0.179 -0.109 0.337 135 H C -1.421 174.004 175.328 0.161 0.000 1.198 135 H CA -1.611 54.480 56.048 0.073 0.000 1.274 135 H CB 0.517 30.279 29.762 -0.000 0.000 1.954 135 H HN 0.032 7.994 8.280 -0.529 0.000 0.531 136 C N 3.166 122.791 119.300 0.542 0.000 2.652 136 C HA 0.555 5.489 4.460 0.409 -0.228 0.412 136 C C -0.372 174.771 174.990 0.255 0.000 1.294 136 C CA -1.170 58.112 59.018 0.440 0.000 2.127 136 C CB -0.249 27.765 27.740 0.456 0.000 2.691 136 C HN 0.030 8.603 8.230 0.572 0.000 0.615 137 A N 7.357 130.265 122.820 0.146 0.000 3.277 137 A HA 0.410 4.713 4.320 -0.029 0.000 0.281 137 A C -3.468 174.090 177.584 -0.044 0.000 1.179 137 A CA -1.387 50.667 52.037 0.028 0.000 0.879 137 A CB 0.566 19.625 19.000 0.099 0.000 1.374 137 A HN 1.085 10.037 8.150 0.158 -0.707 0.590 138 P HA 0.256 4.631 4.420 -0.076 0.000 0.266 138 P C -2.267 174.988 177.300 -0.075 0.000 1.215 138 P CA -1.416 61.587 63.100 -0.161 0.000 0.763 138 P CB -0.214 31.285 31.700 -0.335 0.000 0.806 139 P HA -0.347 4.078 4.420 0.009 0.000 0.255 139 P C 0.494 177.802 177.300 0.013 0.000 1.151 139 P CA 1.691 64.792 63.100 0.001 0.000 0.767 139 P CB -0.397 31.306 31.700 0.005 0.000 0.736 140 G N 1.933 110.752 108.800 0.032 0.000 2.234 140 G HA2 -0.338 3.653 3.960 0.051 0.000 0.235 140 G HA3 -0.338 3.645 3.960 0.039 0.000 0.235 140 G C -0.563 174.406 174.900 0.116 0.000 0.997 140 G CA 0.169 45.301 45.100 0.054 0.000 0.623 140 G HN 0.168 8.476 8.290 0.030 0.000 0.514 141 M N -1.482 118.199 119.600 0.134 0.000 3.181 141 M HA 0.331 5.037 4.480 0.377 0.000 0.422 141 M C -1.018 175.438 176.300 0.259 0.000 1.481 141 M CA -0.309 55.179 55.300 0.313 0.000 0.783 141 M CB 0.778 33.660 32.600 0.470 0.000 1.437 141 M HN 0.146 8.400 8.290 0.063 0.074 0.505 142 V N 4.061 124.050 119.914 0.124 0.000 2.216 142 V HA -0.205 3.917 4.120 0.003 0.000 0.243 142 V C -0.469 175.692 176.094 0.112 0.000 1.044 142 V CA 5.428 67.763 62.300 0.058 0.000 0.995 142 V CB -2.906 28.922 31.823 0.009 0.000 0.633 142 V HN 0.230 8.480 8.190 0.101 0.000 0.446 143 P HA -0.204 4.225 4.420 0.015 0.000 0.217 143 P C 1.331 178.741 177.300 0.184 0.000 1.148 143 P CA 3.063 66.208 63.100 0.075 0.000 0.834 143 P CB -0.560 31.154 31.700 0.024 0.000 0.783 144 W N -2.126 119.219 121.300 0.075 0.000 2.407 144 W HA -0.198 4.459 4.660 -0.004 0.000 0.305 144 W C 1.326 177.935 176.519 0.149 0.000 1.196 144 W CA 2.335 59.733 57.345 0.089 0.000 1.311 144 W CB -0.675 28.890 29.460 0.174 0.000 1.135 144 W HN -0.324 8.086 8.180 0.427 0.026 0.514 145 H N -0.567 118.487 119.070 -0.027 0.000 2.387 145 H HA -0.259 4.043 4.556 -0.424 0.000 0.299 145 H C 2.388 177.654 175.328 -0.102 0.000 1.090 145 H CA 3.638 59.577 56.048 -0.183 0.000 1.332 145 H CB 0.412 30.162 29.762 -0.020 0.000 1.386 145 H HN -0.679 7.947 8.280 0.577 0.000 0.516 146 V N -1.718 118.249 119.914 0.087 0.000 2.323 146 V HA -0.267 3.877 4.120 0.041 0.000 0.244 146 V C 2.876 178.988 176.094 0.031 0.000 1.041 146 V CA 3.261 65.577 62.300 0.026 0.000 1.025 146 V CB -0.451 31.341 31.823 -0.053 0.000 0.656 146 V HN -0.328 7.924 8.190 0.122 0.011 0.451 147 V N -3.707 116.252 119.914 0.074 0.000 2.490 147 V HA -0.302 3.862 4.120 0.074 0.000 0.250 147 V C 1.698 177.946 176.094 0.256 0.000 1.061 147 V CA 3.369 65.760 62.300 0.153 0.000 1.064 147 V CB -0.713 31.269 31.823 0.265 0.000 0.670 147 V HN -0.379 7.862 8.190 0.085 0.000 0.461 148 S N -0.885 114.896 115.700 0.135 0.000 2.595 148 S HA -0.136 4.489 4.470 0.258 0.000 0.235 148 S C 0.391 175.124 174.600 0.222 0.000 0.974 148 S CA 1.768 60.038 58.200 0.117 0.000 0.942 148 S CB -0.207 62.819 63.200 -0.290 0.000 0.766 148 S HN -0.221 8.072 8.310 0.009 0.022 0.536 149 G N -1.002 107.909 108.800 0.184 0.000 2.141 149 G HA2 -0.355 3.899 3.960 0.082 0.000 0.195 149 G HA3 -0.355 3.746 3.960 0.235 0.000 0.195 149 G C -0.990 173.931 174.900 0.035 0.000 1.012 149 G CA 0.046 45.231 45.100 0.142 0.000 0.696 149 G HN -0.021 8.125 8.290 0.114 0.212 0.508 150 M N 2.794 122.391 119.600 -0.005 0.000 3.428 150 M HA 0.139 4.628 4.480 -0.110 -0.075 0.229 150 M C -2.440 173.968 176.300 0.180 0.000 1.299 150 M CA -0.933 54.346 55.300 -0.035 0.000 1.405 150 M CB -0.605 31.903 32.600 -0.153 0.000 1.119 150 M HN -0.651 7.641 8.290 0.002 0.000 0.613 151 N N -2.461 116.345 118.700 0.176 0.000 2.815 151 N HA 0.399 5.277 4.740 0.058 -0.103 0.253 151 N C -1.843 173.518 175.510 -0.248 0.000 1.202 151 N CA -0.493 52.560 53.050 0.004 0.000 0.925 151 N CB 3.142 41.629 38.487 -0.000 0.000 1.622 151 N HN -0.653 7.767 8.380 0.149 0.049 0.497 152 G N -1.470 106.624 108.800 -1.177 0.000 3.100 152 G HA2 0.314 4.240 3.960 -0.056 0.000 0.174 152 G HA3 0.314 4.090 3.960 -0.308 0.000 0.174 152 G C -2.712 171.634 174.900 -0.923 0.000 1.136 152 G CA -0.681 43.954 45.100 -0.774 0.000 0.881 152 G HN 0.530 7.566 8.290 -2.090 0.000 0.616 153 A N -1.295 121.313 122.820 -0.354 0.000 2.590 153 A HA 0.565 4.963 4.320 -0.075 -0.123 0.296 153 A C -2.613 174.999 177.584 0.047 0.000 1.050 153 A CA -0.278 51.657 52.037 -0.171 0.000 0.697 153 A CB 2.794 21.541 19.000 -0.422 0.000 1.277 153 A HN -0.292 8.039 8.150 0.303 0.000 0.411 154 I N -3.890 116.772 120.570 0.153 0.000 2.603 154 I HA 0.927 5.206 4.170 -0.023 -0.123 0.300 154 I C -2.494 173.645 176.117 0.037 0.000 1.017 154 I CA -2.469 58.873 61.300 0.072 0.000 1.098 154 I CB 4.076 42.154 38.000 0.131 0.000 1.279 154 I HN 0.587 8.925 8.210 0.214 0.000 0.437 155 M N 4.230 123.810 119.600 -0.034 0.000 2.125 155 M HA 0.365 4.867 4.480 0.037 0.000 0.321 155 M C -2.125 174.189 176.300 0.023 0.000 0.983 155 M CA -1.194 54.101 55.300 -0.008 0.000 0.934 155 M CB 2.852 35.401 32.600 -0.085 0.000 1.542 155 M HN 0.528 8.768 8.290 -0.083 0.000 0.424 156 V N 8.090 128.083 119.914 0.131 0.000 2.320 156 V HA 0.406 4.788 4.120 -0.007 -0.266 0.265 156 V C -1.048 175.157 176.094 0.186 0.000 1.048 156 V CA -0.553 61.805 62.300 0.096 0.000 0.865 156 V CB -0.159 31.730 31.823 0.109 0.000 1.043 156 V HN -0.060 8.261 8.190 0.219 0.000 0.474 157 L N 8.655 129.874 121.223 -0.006 0.000 2.350 157 L HA 0.330 4.734 4.340 0.107 0.000 0.275 157 L C -1.771 175.085 176.870 -0.025 0.000 1.099 157 L CA -2.401 52.409 54.840 -0.050 0.000 0.808 157 L CB 0.323 42.252 42.059 -0.217 0.000 1.149 157 L HN 0.466 8.578 8.230 -0.197 0.000 0.442 158 P HA -0.082 4.365 4.420 0.045 0.000 0.264 158 P C 0.582 177.951 177.300 0.115 0.000 1.179 158 P CA 0.294 63.386 63.100 -0.012 0.000 0.763 158 P CB 0.324 31.939 31.700 -0.140 0.000 0.806 159 R N 3.506 124.070 120.500 0.107 0.000 2.139 159 R HA -0.440 3.970 4.340 0.118 0.000 0.243 159 R C 1.287 177.605 176.300 0.031 0.000 1.145 159 R CA 4.153 60.298 56.100 0.075 0.000 0.976 159 R CB -0.008 30.291 30.300 -0.001 0.000 0.866 159 R HN 0.664 8.974 8.270 0.066 0.000 0.449 160 E N -5.022 115.184 120.200 0.010 0.000 2.403 160 E HA 0.049 4.405 4.350 0.011 0.000 0.188 160 E C -0.012 176.662 176.600 0.124 0.000 1.056 160 E CA -0.905 55.505 56.400 0.016 0.000 0.892 160 E CB -0.724 28.929 29.700 -0.079 0.000 1.049 160 E HN -0.034 8.295 8.360 -0.013 0.023 0.465 161 G N -1.501 107.352 108.800 0.088 0.000 2.660 161 G HA2 -0.318 3.651 3.960 0.014 0.000 0.215 161 G HA3 -0.318 3.668 3.960 0.043 0.000 0.215 161 G C -1.420 173.465 174.900 -0.026 0.000 1.345 161 G CA -0.416 44.708 45.100 0.039 0.000 0.877 161 G HN -0.101 8.053 8.290 0.092 0.192 0.549 162 L N 0.936 122.080 121.223 -0.133 0.000 2.334 162 L HA 0.386 4.523 4.340 -0.337 0.000 0.275 162 L C -0.632 176.215 176.870 -0.038 0.000 1.036 162 L CA -0.558 54.155 54.840 -0.210 0.000 0.807 162 L CB 1.736 43.558 42.059 -0.395 0.000 1.231 162 L HN 0.284 8.424 8.230 -0.150 0.000 0.438 163 H N -0.146 118.870 119.070 -0.088 0.000 2.946 163 H HA 0.737 5.406 4.556 -0.118 -0.184 0.365 163 H C -0.645 174.712 175.328 0.047 0.000 1.197 163 H CA -1.809 54.208 56.048 -0.053 0.000 1.131 163 H CB 4.140 33.868 29.762 -0.056 0.000 1.849 163 H HN 0.078 8.475 8.280 0.195 0.000 0.555 164 D N 0.305 120.714 120.400 0.016 0.000 2.315 164 D HA -0.009 4.601 4.640 -0.051 0.000 0.275 164 D C 1.778 178.133 176.300 0.092 0.000 1.218 164 D CA -1.464 52.506 54.000 -0.050 0.000 1.040 164 D CB 0.442 41.096 40.800 -0.244 0.000 1.123 164 D HN 0.139 8.472 8.370 -0.061 0.000 0.541 165 G N -3.656 105.186 108.800 0.070 0.000 2.511 165 G HA2 -0.195 3.835 3.960 0.116 0.000 0.217 165 G HA3 -0.195 3.807 3.960 0.070 0.000 0.217 165 G C 0.286 175.222 174.900 0.061 0.000 1.133 165 G CA 1.599 46.749 45.100 0.083 0.000 0.792 165 G HN 0.396 8.717 8.290 0.052 0.000 0.539 166 K N -0.211 120.215 120.400 0.044 0.000 2.387 166 K HA 0.105 4.444 4.320 0.031 0.000 0.198 166 K C 0.027 176.647 176.600 0.033 0.000 1.022 166 K CA -0.546 55.759 56.287 0.031 0.000 1.128 166 K CB 0.087 32.599 32.500 0.021 0.000 0.853 166 K HN -0.893 7.500 8.250 0.035 -0.122 0.523 167 G N -1.199 107.633 108.800 0.054 0.000 2.213 167 G HA2 -0.409 3.584 3.960 0.056 0.000 0.236 167 G HA3 -0.409 3.572 3.960 0.035 0.000 0.236 167 G C -0.490 174.501 174.900 0.151 0.000 0.991 167 G CA -0.052 45.089 45.100 0.070 0.000 0.629 167 G HN -0.153 8.215 8.290 0.068 -0.037 0.517 168 K N 0.940 121.377 120.400 0.062 0.000 2.448 168 K HA -0.007 4.322 4.320 0.015 0.000 0.278 168 K C -0.775 175.758 176.600 -0.113 0.000 1.009 168 K CA -0.674 55.606 56.287 -0.011 0.000 0.995 168 K CB 0.488 32.935 32.500 -0.088 0.000 0.917 168 K HN -0.409 8.049 8.250 0.025 -0.192 0.481 169 A N 3.805 126.468 122.820 -0.261 0.000 2.440 169 A HA 0.139 3.446 4.320 -1.881 -0.116 0.251 169 A C -0.198 177.047 177.584 -0.564 0.000 1.089 169 A CA 0.231 51.762 52.037 -0.844 0.000 0.779 169 A CB 0.614 19.242 19.000 -0.619 0.000 1.022 169 A HN 0.290 8.361 8.150 -0.132 0.000 0.492 170 L N 5.089 125.956 121.223 -0.593 0.000 2.318 170 L HA 0.206 4.219 4.340 -0.544 0.000 0.277 170 L C -1.194 175.476 176.870 -0.333 0.000 1.008 170 L CA -0.680 53.843 54.840 -0.528 0.000 0.846 170 L CB 0.906 42.596 42.059 -0.614 0.000 1.220 170 L HN 0.552 8.237 8.230 -0.724 0.111 0.423 171 T N 5.919 120.335 114.554 -0.230 0.000 2.779 171 T HA 0.419 4.783 4.350 -0.283 -0.184 0.280 171 T C -0.968 173.822 174.700 0.150 0.000 0.987 171 T CA -0.786 61.215 62.100 -0.164 0.000 0.966 171 T CB 2.021 70.760 68.868 -0.214 0.000 0.933 171 T HN 0.121 8.210 8.240 -0.251 0.000 0.442 172 Y N 2.838 123.364 120.300 0.378 0.000 2.334 172 Y HA 0.112 4.909 4.550 0.412 0.000 0.328 172 Y C -1.265 174.677 175.900 0.070 0.000 1.130 172 Y CA -2.177 56.099 58.100 0.293 0.000 1.163 172 Y CB 0.470 38.982 38.460 0.086 0.000 1.207 172 Y HN 0.361 8.246 8.280 -0.844 -0.112 0.471 173 D N 2.963 123.472 120.400 0.181 0.000 2.249 173 D HA -0.070 4.591 4.640 0.034 0.000 0.205 173 D C -0.340 176.034 176.300 0.123 0.000 0.962 173 D CA 2.498 56.556 54.000 0.096 0.000 0.860 173 D CB 0.712 41.555 40.800 0.072 0.000 0.955 173 D HN 0.316 8.686 8.370 0.165 0.099 0.505 174 K N -4.081 116.401 120.400 0.136 0.000 2.532 174 K HA 0.381 4.693 4.320 -0.013 0.000 0.265 174 K C -2.630 173.856 176.600 -0.191 0.000 0.948 174 K CA -1.147 55.123 56.287 -0.029 0.000 0.842 174 K CB 3.792 36.248 32.500 -0.073 0.000 1.392 174 K HN -0.559 7.774 8.250 0.138 0.000 0.436 175 I N 0.726 121.044 120.570 -0.422 0.000 2.569 175 I HA 0.792 4.931 4.170 -0.384 -0.200 0.290 175 I C -2.859 172.916 176.117 -0.570 0.000 1.088 175 I CA -1.010 60.012 61.300 -0.463 0.000 1.047 175 I CB 3.004 40.713 38.000 -0.484 0.000 1.237 175 I HN 0.033 7.978 8.210 -0.441 0.000 0.421 176 Y N 5.248 125.526 120.300 -0.037 0.000 2.485 176 Y HA 0.554 5.226 4.550 -0.038 -0.144 0.345 176 Y C -1.824 174.085 175.900 0.015 0.000 0.998 176 Y CA -2.491 55.589 58.100 -0.032 0.000 1.059 176 Y CB 3.467 41.901 38.460 -0.042 0.000 1.234 176 Y HN 0.196 8.452 8.280 -0.040 0.000 0.461 177 Y N 2.765 123.088 120.300 0.038 0.000 2.345 177 Y HA 0.514 5.209 4.550 -0.061 -0.182 0.331 177 Y C -2.234 173.602 175.900 -0.107 0.000 0.959 177 Y CA -2.941 55.133 58.100 -0.044 0.000 1.204 177 Y CB 1.763 40.209 38.460 -0.023 0.000 1.135 177 Y HN 0.740 9.038 8.280 0.228 0.119 0.477 178 V N 9.798 129.370 119.914 -0.569 0.000 2.294 178 V HA 0.208 3.906 4.120 -0.704 0.000 0.272 178 V C -1.348 174.053 176.094 -1.156 0.000 1.027 178 V CA -1.142 60.672 62.300 -0.810 0.000 0.823 178 V CB 0.961 32.412 31.823 -0.620 0.000 1.030 178 V HN 0.670 8.728 8.190 -0.220 0.000 0.457 179 G N 6.812 114.950 108.800 -1.104 0.000 2.339 179 G HA2 0.197 3.997 3.960 -0.463 0.000 0.287 179 G HA3 0.197 3.869 3.960 -0.481 0.000 0.287 179 G C -2.340 172.410 174.900 -0.250 0.000 1.163 179 G CA -1.345 43.388 45.100 -0.613 0.000 0.872 179 G HN 0.206 7.853 8.290 -1.071 0.000 0.464 180 E N 5.536 125.707 120.200 -0.048 0.000 2.242 180 E HA 0.746 5.631 4.350 0.544 -0.208 0.275 180 E C -1.647 174.991 176.600 0.063 0.000 1.002 180 E CA -1.625 54.961 56.400 0.309 0.000 0.841 180 E CB 3.347 33.446 29.700 0.665 0.000 1.109 180 E HN 0.188 8.513 8.360 -0.059 0.000 0.394 181 Q N 5.066 124.824 119.800 -0.069 0.000 2.263 181 Q HA 0.268 4.455 4.340 -0.255 0.000 0.266 181 Q C -2.371 173.306 176.000 -0.540 0.000 1.002 181 Q CA -1.321 54.270 55.803 -0.354 0.000 0.790 181 Q CB 3.646 32.063 28.738 -0.535 0.000 1.272 181 Q HN 0.628 8.879 8.270 -0.033 0.000 0.435 182 D N 5.674 125.821 120.400 -0.422 0.000 2.313 182 D HA 0.257 4.838 4.640 -0.369 -0.163 0.239 182 D C -1.334 174.661 176.300 -0.508 0.000 1.142 182 D CA -1.151 52.613 54.000 -0.393 0.000 0.847 182 D CB 0.088 40.777 40.800 -0.185 0.000 1.082 182 D HN 0.074 8.275 8.370 -0.281 0.000 0.480 183 F N 0.950 120.754 119.950 -0.243 0.000 2.403 183 F HA 0.152 4.748 4.527 0.116 0.000 0.326 183 F C -1.297 174.207 175.800 -0.492 0.000 1.099 183 F CA -0.962 56.957 58.000 -0.135 0.000 1.036 183 F CB 3.486 42.435 39.000 -0.085 0.000 1.336 183 F HN 0.283 8.432 8.300 -0.252 0.000 0.497 184 Y N -3.535 116.963 120.300 0.330 0.000 2.484 184 Y HA 0.063 4.753 4.550 0.234 0.000 0.348 184 Y C -1.671 174.348 175.900 0.199 0.000 1.103 184 Y CA -0.975 57.258 58.100 0.223 0.000 1.317 184 Y CB 0.504 39.054 38.460 0.149 0.000 1.096 184 Y HN 0.081 8.706 8.280 0.575 0.000 0.568 185 V N 3.331 123.422 119.914 0.295 0.000 2.432 185 V HA 0.162 4.408 4.120 0.210 0.000 0.275 185 V C -1.403 174.898 176.094 0.345 0.000 1.043 185 V CA -3.612 58.837 62.300 0.248 0.000 0.925 185 V CB -0.007 31.848 31.823 0.053 0.000 0.985 185 V HN -0.230 8.138 8.190 0.297 0.000 0.466 186 P HA 0.071 4.619 4.420 0.213 0.000 0.271 186 P C -1.690 175.771 177.300 0.269 0.000 1.216 186 P CA -0.025 63.233 63.100 0.265 0.000 0.771 186 P CB 0.543 32.404 31.700 0.269 0.000 0.864 187 R N 1.609 122.202 120.500 0.156 0.000 2.778 187 R HA 0.548 5.066 4.340 0.061 -0.141 0.277 187 R C -0.192 176.123 176.300 0.025 0.000 0.977 187 R CA -1.656 54.470 56.100 0.044 0.000 0.950 187 R CB 3.225 33.468 30.300 -0.095 0.000 1.165 187 R HN 0.012 8.362 8.270 0.133 0.000 0.474 188 D N 3.051 123.447 120.400 -0.006 0.000 2.289 188 D HA -0.131 4.517 4.640 0.014 0.000 0.266 188 D C 1.714 178.004 176.300 -0.016 0.000 1.243 188 D CA -1.031 52.965 54.000 -0.006 0.000 1.019 188 D CB 0.322 41.109 40.800 -0.022 0.000 1.126 188 D HN 0.131 8.485 8.370 -0.027 0.000 0.541 189 E N -2.717 117.473 120.200 -0.016 0.000 2.208 189 E HA -0.301 4.041 4.350 -0.013 0.000 0.193 189 E C 0.000 176.583 176.600 -0.029 0.000 0.988 189 E CA 2.475 58.864 56.400 -0.017 0.000 0.828 189 E CB -0.420 29.273 29.700 -0.012 0.000 0.763 189 E HN 0.239 8.591 8.360 -0.013 0.000 0.478 190 N N -1.655 117.023 118.700 -0.035 0.000 2.461 190 N HA -0.046 4.672 4.740 -0.036 0.000 0.188 190 N C 0.192 175.663 175.510 -0.065 0.000 1.134 190 N CA 0.023 53.048 53.050 -0.043 0.000 0.878 190 N CB -0.139 38.325 38.487 -0.038 0.000 0.972 190 N HN -0.720 7.743 8.380 -0.033 -0.103 0.456 191 G N -1.211 107.538 108.800 -0.084 0.000 2.141 191 G HA2 -0.443 3.432 3.960 -0.141 0.000 0.242 191 G HA3 -0.443 3.442 3.960 -0.125 0.000 0.242 191 G C -1.051 173.712 174.900 -0.228 0.000 0.982 191 G CA 0.206 45.222 45.100 -0.140 0.000 0.662 191 G HN -0.247 8.039 8.290 -0.069 -0.037 0.527 192 K N 1.193 121.491 120.400 -0.169 0.000 2.183 192 K HA 0.279 4.459 4.320 -0.234 0.000 0.274 192 K C -0.262 176.246 176.600 -0.153 0.000 1.009 192 K CA -1.822 54.362 56.287 -0.172 0.000 0.888 192 K CB 0.973 33.432 32.500 -0.068 0.000 1.078 192 K HN -0.293 8.183 8.250 -0.111 -0.293 0.459 193 Y N 3.128 123.443 120.300 0.025 0.000 2.702 193 Y HA -0.179 4.538 4.550 0.061 -0.130 0.336 193 Y C 1.094 176.994 175.900 -0.000 0.000 1.235 193 Y CA 2.067 60.187 58.100 0.033 0.000 1.492 193 Y CB 0.125 38.597 38.460 0.020 0.000 1.308 193 Y HN 0.383 8.523 8.280 -0.233 0.000 0.589 194 K N 4.246 124.758 120.400 0.186 0.000 2.138 194 K HA 0.186 4.459 4.320 -0.078 0.000 0.263 194 K C -0.802 175.739 176.600 -0.099 0.000 0.965 194 K CA -0.765 55.502 56.287 -0.034 0.000 0.868 194 K CB 1.564 34.005 32.500 -0.098 0.000 1.083 194 K HN 0.443 8.865 8.250 0.287 0.000 0.443 195 K N 0.819 121.044 120.400 -0.293 0.000 2.221 195 K HA 0.234 4.629 4.320 0.125 0.000 0.243 195 K C -0.774 175.552 176.600 -0.455 0.000 0.968 195 K CA -0.884 55.316 56.287 -0.145 0.000 0.846 195 K CB 1.545 34.019 32.500 -0.044 0.000 1.141 195 K HN -0.007 8.059 8.250 -0.307 0.000 0.434 196 Y N -1.877 118.520 120.300 0.163 0.000 2.669 196 Y HA 0.258 4.860 4.550 0.086 0.000 0.335 196 Y C 1.026 177.042 175.900 0.193 0.000 1.116 196 Y CA -1.449 56.732 58.100 0.136 0.000 1.081 196 Y CB 2.891 41.398 38.460 0.078 0.000 1.297 196 Y HN 0.365 8.941 8.280 0.493 0.000 0.484 197 E N 0.778 121.144 120.200 0.276 0.000 2.075 197 E HA -0.060 4.412 4.350 0.203 0.000 0.190 197 E C -0.329 176.387 176.600 0.192 0.000 0.969 197 E CA 1.312 57.832 56.400 0.200 0.000 0.815 197 E CB 0.990 30.761 29.700 0.117 0.000 0.776 197 E HN 0.548 9.066 8.360 0.264 0.000 0.457 198 A N -2.989 119.848 122.820 0.029 0.000 2.387 198 A HA 0.564 4.883 4.320 -0.002 0.000 0.298 198 A C -2.383 174.878 177.584 -0.538 0.000 1.165 198 A CA -2.486 49.477 52.037 -0.124 0.000 0.814 198 A CB 0.587 19.574 19.000 -0.022 0.000 1.357 198 A HN -0.741 7.655 8.150 0.051 -0.215 0.443 199 P HA -0.100 3.996 4.420 -0.540 0.000 0.217 199 P C 1.289 178.664 177.300 0.125 0.000 1.151 199 P CA 1.585 64.552 63.100 -0.222 0.000 0.828 199 P CB 0.593 32.313 31.700 0.032 0.000 0.788 200 G N -0.804 108.046 108.800 0.084 0.000 2.421 200 G HA2 -0.271 3.661 3.960 -0.045 0.000 0.217 200 G HA3 -0.271 3.679 3.960 -0.016 0.000 0.217 200 G C 0.587 175.413 174.900 -0.123 0.000 1.143 200 G CA 1.446 46.541 45.100 -0.008 0.000 0.784 200 G HN 0.486 8.800 8.290 0.039 0.000 0.541 201 D N 1.156 121.489 120.400 -0.112 0.000 2.221 201 D HA -0.197 4.416 4.640 -0.046 0.000 0.204 201 D C 0.514 176.630 176.300 -0.307 0.000 0.982 201 D CA 2.421 56.366 54.000 -0.091 0.000 0.857 201 D CB -0.517 40.318 40.800 0.058 0.000 0.934 201 D HN 0.332 8.646 8.370 -0.093 0.000 0.475 202 A N -4.250 118.245 122.820 -0.542 0.000 2.545 202 A HA 0.180 3.828 4.320 -1.119 0.000 0.277 202 A C -0.227 177.065 177.584 -0.487 0.000 1.301 202 A CA -0.769 50.737 52.037 -0.884 0.000 0.935 202 A CB -0.265 18.059 19.000 -1.126 0.000 1.093 202 A HN -0.640 7.247 8.150 -0.379 0.035 0.519 203 Y N 1.953 121.903 120.300 -0.584 0.000 2.184 203 Y HA -0.462 3.396 4.550 -1.154 0.000 0.290 203 Y C 0.902 176.504 175.900 -0.496 0.000 1.129 203 Y CA 4.638 62.251 58.100 -0.812 0.000 1.144 203 Y CB 0.679 38.595 38.460 -0.907 0.000 0.995 203 Y HN 0.015 7.959 8.280 -0.276 0.171 0.513 204 E N -0.908 119.197 120.200 -0.158 0.000 2.047 204 E HA -0.400 3.871 4.350 -0.132 0.000 0.191 204 E C 2.005 178.498 176.600 -0.177 0.000 0.987 204 E CA 3.508 59.832 56.400 -0.128 0.000 0.799 204 E CB -0.487 29.199 29.700 -0.024 0.000 0.752 204 E HN 0.286 8.604 8.360 -0.069 0.000 0.449 205 D N -2.547 117.766 120.400 -0.144 0.000 2.178 205 D HA -0.203 4.421 4.640 -0.027 0.000 0.201 205 D C 2.347 178.591 176.300 -0.093 0.000 0.980 205 D CA 3.189 57.150 54.000 -0.066 0.000 0.842 205 D CB -0.557 40.261 40.800 0.029 0.000 0.948 205 D HN 0.348 8.627 8.370 -0.152 0.000 0.472 206 T N 3.346 117.781 114.554 -0.198 0.000 2.770 206 T HA -0.272 4.078 4.350 0.000 0.000 0.263 206 T C 1.711 176.288 174.700 -0.205 0.000 1.039 206 T CA 4.388 66.403 62.100 -0.142 0.000 1.142 206 T CB 0.210 68.971 68.868 -0.177 0.000 0.868 206 T HN -0.728 7.319 8.240 -0.298 0.014 0.435 207 V N 2.037 121.716 119.914 -0.392 0.000 2.324 207 V HA -0.508 3.398 4.120 -0.357 0.000 0.250 207 V C 1.637 177.617 176.094 -0.189 0.000 1.060 207 V CA 5.159 67.245 62.300 -0.357 0.000 1.042 207 V CB -0.554 30.999 31.823 -0.450 0.000 0.650 207 V HN -0.106 7.756 8.190 -0.546 0.000 0.450 208 K N -0.253 120.067 120.400 -0.133 0.000 2.044 208 K HA -0.365 3.920 4.320 -0.059 0.000 0.210 208 K C 2.453 179.040 176.600 -0.022 0.000 1.049 208 K CA 3.653 59.904 56.287 -0.059 0.000 0.927 208 K CB -0.197 32.285 32.500 -0.029 0.000 0.713 208 K HN -0.687 7.468 8.250 -0.156 0.002 0.443 209 V N -1.405 118.516 119.914 0.012 0.000 2.358 209 V HA -0.429 3.760 4.120 0.114 0.000 0.246 209 V C 1.763 177.902 176.094 0.076 0.000 1.047 209 V CA 3.875 66.240 62.300 0.108 0.000 1.035 209 V CB -0.212 31.738 31.823 0.211 0.000 0.658 209 V HN -0.788 7.324 8.190 -0.004 0.076 0.452 210 M N -1.431 118.093 119.600 -0.127 0.000 2.159 210 M HA -0.465 3.431 4.480 -0.974 0.000 0.263 210 M C 2.741 178.903 176.300 -0.231 0.000 1.063 210 M CA 4.075 59.096 55.300 -0.465 0.000 1.110 210 M CB -0.308 31.993 32.600 -0.498 0.000 1.374 210 M HN 0.073 8.219 8.290 -0.119 0.072 0.411 211 R N -1.014 119.412 120.500 -0.124 0.000 2.096 211 R HA -0.253 4.040 4.340 -0.078 0.000 0.235 211 R C 1.739 178.027 176.300 -0.019 0.000 1.127 211 R CA 3.076 59.136 56.100 -0.068 0.000 0.968 211 R CB -0.336 29.934 30.300 -0.049 0.000 0.861 211 R HN 0.162 8.349 8.270 -0.119 0.012 0.440 212 T N -4.228 110.335 114.554 0.016 0.000 2.996 212 T HA -0.224 4.148 4.350 0.036 0.000 0.271 212 T C 0.291 175.038 174.700 0.079 0.000 1.126 212 T CA 1.435 63.568 62.100 0.054 0.000 1.103 212 T CB 0.121 69.040 68.868 0.084 0.000 0.870 212 T HN -0.556 7.594 8.240 0.014 0.099 0.528 213 L N -3.819 117.455 121.223 0.085 0.000 4.001 213 L HA -0.315 4.097 4.340 0.119 0.000 0.413 213 L C -0.906 176.086 176.870 0.204 0.000 1.185 213 L CA 1.111 56.027 54.840 0.126 0.000 0.963 213 L CB -2.556 39.545 42.059 0.070 0.000 1.976 213 L HN -0.097 7.957 8.230 0.032 0.195 0.939 214 T N 1.334 116.052 114.554 0.273 0.000 2.963 214 T HA 0.293 4.716 4.350 0.121 0.000 0.328 214 T C -2.302 172.480 174.700 0.137 0.000 1.048 214 T CA -2.151 60.052 62.100 0.172 0.000 1.033 214 T CB 1.601 70.529 68.868 0.100 0.000 1.010 214 T HN -0.672 7.725 8.240 0.313 0.031 0.469 215 P HA 0.219 3.936 4.420 -1.371 -0.120 0.271 215 P C 0.028 177.176 177.300 -0.253 0.000 1.220 215 P CA -0.709 62.020 63.100 -0.619 0.000 0.768 215 P CB 0.758 32.083 31.700 -0.625 0.000 0.848 216 T N -0.202 114.284 114.554 -0.113 0.000 2.915 216 T HA -0.245 4.061 4.350 -0.074 0.000 0.269 216 T C -0.439 174.042 174.700 -0.366 0.000 1.071 216 T CA 1.464 63.569 62.100 0.008 0.000 1.132 216 T CB 0.570 69.710 68.868 0.452 0.000 0.878 216 T HN 0.029 8.176 8.240 -0.154 0.000 0.479 217 H N -1.313 117.695 119.070 -0.103 0.000 3.026 217 H HA 0.247 4.752 4.556 -0.084 0.000 0.352 217 H C -2.366 172.877 175.328 -0.141 0.000 1.090 217 H CA -0.265 55.734 56.048 -0.083 0.000 1.268 217 H CB 3.379 33.122 29.762 -0.031 0.000 1.816 217 H HN -0.811 7.485 8.280 0.074 0.028 0.518 218 V N 4.572 124.424 119.914 -0.103 0.000 2.407 218 V HA 0.443 4.614 4.120 -0.216 -0.181 0.291 218 V C -1.226 174.665 176.094 -0.338 0.000 1.018 218 V CA -1.743 60.434 62.300 -0.205 0.000 0.842 218 V CB 1.274 32.984 31.823 -0.187 0.000 0.996 218 V HN 0.284 8.400 8.190 -0.124 0.000 0.426 219 V N -1.574 118.125 119.914 -0.358 0.000 3.103 219 V HA 0.841 4.520 4.120 -0.987 -0.152 0.311 219 V C -2.274 173.514 176.094 -0.510 0.000 1.322 219 V CA -3.409 58.535 62.300 -0.593 0.000 1.063 219 V CB 3.678 35.357 31.823 -0.241 0.000 1.090 219 V HN 0.119 8.151 8.190 -0.262 0.000 0.462 220 F N -2.178 117.738 119.950 -0.057 0.000 2.520 220 F HA 0.773 5.416 4.527 -0.139 -0.199 0.322 220 F C 0.712 176.439 175.800 -0.122 0.000 1.103 220 F CA -3.338 54.597 58.000 -0.108 0.000 0.926 220 F CB 1.961 40.906 39.000 -0.091 0.000 1.154 220 F HN -0.074 7.947 8.300 -0.464 0.000 0.453 221 N N 1.601 120.321 118.700 0.033 0.000 2.984 221 N HA -0.356 4.342 4.740 -0.070 0.000 0.227 221 N C -0.375 175.146 175.510 0.018 0.000 0.903 221 N CA 1.050 54.086 53.050 -0.024 0.000 0.995 221 N CB 0.141 38.606 38.487 -0.037 0.000 1.065 221 N HN 0.597 8.976 8.380 -0.002 0.000 0.585 222 G N -5.078 103.757 108.800 0.057 0.000 2.141 222 G HA2 -0.355 3.759 3.960 0.258 0.000 0.231 222 G HA3 -0.355 3.664 3.960 0.099 0.000 0.231 222 G C -2.264 172.685 174.900 0.082 0.000 0.984 222 G CA 0.302 45.479 45.100 0.129 0.000 0.660 222 G HN 0.411 8.670 8.290 0.052 0.062 0.525 223 A N -3.383 119.454 122.820 0.028 0.000 2.573 223 A HA 0.246 4.555 4.320 -0.019 0.000 0.299 223 A C -2.030 175.524 177.584 -0.051 0.000 1.060 223 A CA -0.339 51.687 52.037 -0.019 0.000 0.736 223 A CB 2.290 21.268 19.000 -0.038 0.000 1.280 223 A HN -0.902 7.255 8.150 0.011 0.000 0.401 224 V N 2.732 122.614 119.914 -0.053 0.000 2.557 224 V HA -0.450 3.593 4.120 -0.129 0.000 0.301 224 V C 1.277 177.337 176.094 -0.057 0.000 1.026 224 V CA 1.992 64.249 62.300 -0.071 0.000 1.137 224 V CB -0.240 31.567 31.823 -0.027 0.000 0.917 224 V HN 0.173 8.338 8.190 -0.041 0.000 0.484 225 G N 4.722 113.477 108.800 -0.075 0.000 2.143 225 G HA2 -0.329 3.594 3.960 -0.062 0.000 0.248 225 G HA3 -0.329 3.621 3.960 -0.017 0.000 0.248 225 G C -0.084 174.782 174.900 -0.057 0.000 0.991 225 G CA 0.536 45.606 45.100 -0.049 0.000 0.689 225 G HN 0.585 8.806 8.290 -0.115 0.000 0.522 226 A N 0.193 122.974 122.820 -0.064 0.000 2.014 226 A HA -0.117 4.177 4.320 -0.044 0.000 0.218 226 A C -0.593 176.938 177.584 -0.088 0.000 1.163 226 A CA 1.946 53.950 52.037 -0.056 0.000 0.652 226 A CB 0.258 19.234 19.000 -0.040 0.000 0.808 226 A HN -0.206 7.868 8.150 -0.072 0.032 0.449 227 L N -5.105 116.046 121.223 -0.120 0.000 3.141 227 L HA 0.342 4.677 4.340 -0.215 -0.124 0.267 227 L C -1.070 175.652 176.870 -0.247 0.000 1.281 227 L CA -1.644 53.073 54.840 -0.204 0.000 1.037 227 L CB -1.217 40.710 42.059 -0.220 0.000 1.407 227 L HN -0.317 7.828 8.230 -0.105 0.022 0.566 228 T N -5.979 108.476 114.554 -0.165 0.000 2.906 228 T HA 0.323 4.654 4.350 -0.033 0.000 0.295 228 T C 0.391 175.131 174.700 0.066 0.000 1.075 228 T CA -2.058 60.011 62.100 -0.051 0.000 1.005 228 T CB 3.018 71.827 68.868 -0.098 0.000 1.136 228 T HN -0.859 7.244 8.240 -0.115 0.068 0.498 229 G N 3.658 112.550 108.800 0.153 0.000 2.554 229 G HA2 -0.430 3.586 3.960 0.092 0.000 0.253 229 G HA3 -0.430 3.569 3.960 0.065 0.000 0.253 229 G C 0.370 175.292 174.900 0.037 0.000 1.172 229 G CA 0.901 46.051 45.100 0.083 0.000 0.950 229 G HN 0.390 8.848 8.290 0.280 0.000 0.557 230 D N 5.523 125.935 120.400 0.019 0.000 2.317 230 D HA 0.010 4.656 4.640 0.011 0.000 0.211 230 D C 0.799 177.091 176.300 -0.014 0.000 0.966 230 D CA 1.741 55.746 54.000 0.008 0.000 0.876 230 D CB -0.069 40.738 40.800 0.013 0.000 0.927 230 D HN 0.341 8.724 8.370 0.022 0.000 0.519 231 K N -1.085 119.294 120.400 -0.035 0.000 2.410 231 K HA 0.053 4.343 4.320 -0.050 0.000 0.200 231 K C -0.978 175.514 176.600 -0.181 0.000 1.023 231 K CA -1.169 55.071 56.287 -0.078 0.000 1.149 231 K CB -0.074 32.385 32.500 -0.069 0.000 0.859 231 K HN -0.773 7.420 8.250 -0.023 0.043 0.514 232 A N 0.121 122.843 122.820 -0.162 0.000 2.477 232 A HA -0.011 4.337 4.320 -0.369 -0.249 0.246 232 A C -0.158 177.146 177.584 -0.465 0.000 1.078 232 A CA 0.040 51.907 52.037 -0.283 0.000 0.770 232 A CB 0.717 19.661 19.000 -0.093 0.000 1.011 232 A HN -0.828 7.192 8.150 -0.083 0.080 0.494 233 M N 1.211 120.255 119.600 -0.925 0.000 1.722 233 M HA -0.222 3.702 4.480 -0.926 0.000 0.130 233 M C -0.374 175.622 176.300 -0.506 0.000 1.163 233 M CA 2.761 57.432 55.300 -1.048 0.000 0.587 233 M CB 0.590 32.037 32.600 -1.921 0.000 0.913 233 M HN 0.005 7.561 8.290 -1.223 0.000 0.257 234 T N -7.773 106.599 114.554 -0.304 0.000 2.889 234 T HA 0.914 5.438 4.350 -0.078 -0.221 0.315 234 T C -1.807 172.900 174.700 0.011 0.000 1.291 234 T CA -1.383 60.674 62.100 -0.072 0.000 1.028 234 T CB 2.895 71.755 68.868 -0.013 0.000 1.235 234 T HN -0.105 7.884 8.240 -0.419 0.000 0.491 235 A N 1.141 123.892 122.820 -0.114 0.000 2.594 235 A HA 0.626 5.099 4.320 -0.028 -0.169 0.296 235 A C -3.328 174.116 177.584 -0.234 0.000 1.056 235 A CA -0.026 51.886 52.037 -0.208 0.000 0.693 235 A CB 3.391 22.020 19.000 -0.620 0.000 1.278 235 A HN 0.411 8.483 8.150 -0.130 0.000 0.408 236 A N 0.748 123.508 122.820 -0.101 0.000 2.355 236 A HA 0.900 5.407 4.320 -0.061 -0.223 0.324 236 A C -1.222 176.366 177.584 0.008 0.000 1.117 236 A CA -2.908 49.103 52.037 -0.043 0.000 0.785 236 A CB 3.178 22.183 19.000 0.007 0.000 1.254 236 A HN 0.506 8.945 8.150 -0.036 -0.310 0.453 237 V N 1.442 121.374 119.914 0.030 0.000 2.681 237 V HA -0.654 3.672 4.120 0.110 -0.140 0.306 237 V C 1.086 177.212 176.094 0.052 0.000 1.077 237 V CA 3.398 65.737 62.300 0.064 0.000 1.224 237 V CB -0.312 31.540 31.823 0.049 0.000 0.879 237 V HN 0.082 8.286 8.190 0.023 0.000 0.494 238 G N 6.330 115.160 108.800 0.050 0.000 2.175 238 G HA2 -0.389 3.575 3.960 0.008 0.000 0.244 238 G HA3 -0.389 3.587 3.960 0.027 0.000 0.244 238 G C -1.413 173.517 174.900 0.051 0.000 0.982 238 G CA -0.279 44.839 45.100 0.030 0.000 0.641 238 G HN 0.760 8.974 8.290 0.057 0.110 0.527 239 E N 1.450 121.701 120.200 0.085 0.000 2.231 239 E HA 0.144 4.662 4.350 0.081 -0.119 0.277 239 E C -1.200 175.467 176.600 0.113 0.000 0.999 239 E CA -1.157 55.303 56.400 0.101 0.000 0.827 239 E CB 2.388 32.151 29.700 0.104 0.000 1.101 239 E HN -0.176 8.184 8.360 0.109 0.065 0.393 240 K N 4.607 125.060 120.400 0.088 0.000 2.213 240 K HA 0.339 4.770 4.320 -0.055 -0.144 0.270 240 K C -0.865 175.573 176.600 -0.270 0.000 1.002 240 K CA -1.012 55.263 56.287 -0.021 0.000 0.868 240 K CB 1.299 34.060 32.500 0.435 0.000 1.093 240 K HN 0.219 8.849 8.250 0.102 -0.319 0.454 241 V N 3.876 123.483 119.914 -0.511 0.000 2.638 241 V HA 0.682 4.868 4.120 -0.229 -0.203 0.306 241 V C -1.953 173.819 176.094 -0.536 0.000 1.052 241 V CA -1.473 60.635 62.300 -0.319 0.000 0.885 241 V CB 4.160 36.047 31.823 0.106 0.000 0.999 241 V HN 0.199 8.050 8.190 -0.565 0.000 0.424 242 L N 7.501 128.459 121.223 -0.442 0.000 2.275 242 L HA 0.736 5.160 4.340 -0.200 -0.204 0.288 242 L C -2.041 174.745 176.870 -0.141 0.000 1.046 242 L CA -1.304 53.363 54.840 -0.288 0.000 0.805 242 L CB 2.931 44.766 42.059 -0.373 0.000 1.193 242 L HN 0.329 8.325 8.230 -0.390 0.000 0.426 243 I N 6.929 127.473 120.570 -0.043 0.000 2.405 243 I HA 0.408 4.768 4.170 0.026 -0.174 0.280 243 I C -0.755 175.400 176.117 0.063 0.000 1.027 243 I CA -1.171 60.124 61.300 -0.008 0.000 1.161 243 I CB 0.829 38.755 38.000 -0.123 0.000 1.300 243 I HN 0.841 9.045 8.210 -0.011 0.000 0.463 244 V N 8.120 128.088 119.914 0.090 0.000 2.583 244 V HA 0.131 4.482 4.120 0.127 -0.154 0.287 244 V C -1.526 174.729 176.094 0.268 0.000 1.051 244 V CA -0.188 62.201 62.300 0.148 0.000 1.010 244 V CB 0.789 32.658 31.823 0.076 0.000 0.988 244 V HN 0.378 8.613 8.190 0.075 0.000 0.478 245 H N 8.036 127.203 119.070 0.162 0.000 2.717 245 H HA 0.644 5.487 4.556 0.137 -0.205 0.366 245 H C -1.755 173.653 175.328 0.134 0.000 1.132 245 H CA -2.123 54.011 56.048 0.143 0.000 1.180 245 H CB 3.698 33.526 29.762 0.108 0.000 1.678 245 H HN -0.066 8.371 8.280 0.262 0.000 0.537 246 S N 3.090 119.015 115.700 0.375 0.000 2.569 246 S HA 0.468 5.168 4.470 0.164 -0.131 0.280 246 S C -1.806 172.924 174.600 0.217 0.000 1.111 246 S CA -1.559 56.791 58.200 0.249 0.000 0.887 246 S CB 3.185 66.494 63.200 0.181 0.000 1.095 246 S HN 0.071 8.411 8.310 0.050 0.000 0.476 247 Q N 3.053 122.905 119.800 0.087 0.000 2.483 247 Q HA 0.382 4.755 4.340 0.056 0.000 0.245 247 Q C -1.067 174.924 176.000 -0.015 0.000 0.902 247 Q CA -0.251 55.576 55.803 0.041 0.000 0.767 247 Q CB 3.653 32.400 28.738 0.014 0.000 1.341 247 Q HN -0.197 8.089 8.270 0.028 0.000 0.453 248 A N 5.610 128.421 122.820 -0.016 0.000 2.169 248 A HA -0.070 4.244 4.320 -0.010 0.000 0.212 248 A C -0.850 176.734 177.584 0.001 0.000 1.153 248 A CA 1.482 53.519 52.037 0.001 0.000 0.756 248 A CB 0.354 19.372 19.000 0.030 0.000 0.813 248 A HN 0.930 9.071 8.150 -0.015 0.000 0.471 249 N N -2.931 115.766 118.700 -0.005 0.000 2.498 249 N HA -0.009 4.736 4.740 0.008 0.000 0.272 249 N C -2.510 173.017 175.510 0.029 0.000 1.534 249 N CA 0.532 53.586 53.050 0.006 0.000 0.873 249 N CB 1.673 40.157 38.487 -0.005 0.000 1.415 249 N HN -0.134 8.491 8.380 -0.007 -0.249 0.496 250 R N -2.295 118.214 120.500 0.014 0.000 2.764 250 R HA 0.127 4.492 4.340 0.042 0.000 0.250 250 R C -2.643 173.638 176.300 -0.032 0.000 1.122 250 R CA -0.359 55.753 56.100 0.020 0.000 1.022 250 R CB 3.161 33.483 30.300 0.036 0.000 1.266 250 R HN -0.641 7.650 8.270 -0.004 -0.024 0.454 251 D N 6.758 127.137 120.400 -0.036 0.000 2.351 251 D HA 0.376 5.058 4.640 -0.289 -0.215 0.251 251 D C -0.160 176.029 176.300 -0.185 0.000 1.137 251 D CA 0.367 54.260 54.000 -0.179 0.000 0.879 251 D CB 1.008 41.776 40.800 -0.052 0.000 1.181 251 D HN 0.254 8.636 8.370 0.020 0.000 0.448 252 T N 1.337 115.687 114.554 -0.340 0.000 2.762 252 T HA 0.330 4.613 4.350 -0.111 0.000 0.272 252 T C -1.931 172.593 174.700 -0.294 0.000 0.982 252 T CA -2.691 59.267 62.100 -0.236 0.000 1.013 252 T CB 1.590 70.316 68.868 -0.237 0.000 1.309 252 T HN 0.437 8.384 8.240 -0.489 0.000 0.572 253 R N -2.967 117.394 120.500 -0.232 0.000 3.107 253 R HA 0.626 4.961 4.340 -0.203 -0.117 0.251 253 R C -3.207 172.808 176.300 -0.475 0.000 1.818 253 R CA -2.472 53.495 56.100 -0.222 0.000 1.228 253 R CB -0.279 30.015 30.300 -0.010 0.000 1.459 253 R HN 0.268 8.495 8.270 -0.230 -0.094 0.520 254 P HA -0.069 3.828 4.420 -0.872 0.000 0.267 254 P C -2.153 174.284 177.300 -1.437 0.000 1.200 254 P CA 0.216 62.739 63.100 -0.961 0.000 0.772 254 P CB 0.375 31.792 31.700 -0.471 0.000 0.855 255 H N 2.240 120.596 119.070 -1.190 0.000 3.188 255 H HA 0.186 3.896 4.556 -1.409 0.000 0.325 255 H C -1.928 173.156 175.328 -0.408 0.000 1.033 255 H CA -0.223 55.272 56.048 -0.922 0.000 1.443 255 H CB 2.969 32.367 29.762 -0.606 0.000 1.968 255 H HN -0.428 7.141 8.280 -1.185 0.000 0.449 256 L N 8.752 129.636 121.223 -0.566 0.000 2.295 256 L HA 0.248 4.723 4.340 0.040 -0.111 0.288 256 L C -1.339 175.245 176.870 -0.475 0.000 1.079 256 L CA -0.616 54.082 54.840 -0.237 0.000 0.830 256 L CB 0.796 42.794 42.059 -0.101 0.000 1.200 256 L HN 0.498 8.495 8.230 -0.388 0.000 0.438 257 I N 7.936 128.457 120.570 -0.082 0.000 2.662 257 I HA -0.163 4.149 4.170 0.237 0.000 0.285 257 I C 0.766 176.998 176.117 0.191 0.000 1.161 257 I CA 1.588 62.967 61.300 0.132 0.000 1.415 257 I CB -0.822 37.330 38.000 0.254 0.000 1.385 257 I HN 0.756 9.018 8.210 0.087 0.000 0.552 258 G N 5.840 114.723 108.800 0.137 0.000 2.213 258 G HA2 -0.294 3.818 3.960 0.254 0.000 0.236 258 G HA3 -0.294 3.913 3.960 0.412 0.000 0.236 258 G C -0.967 174.142 174.900 0.349 0.000 0.991 258 G CA -0.163 45.133 45.100 0.327 0.000 0.629 258 G HN 0.467 8.799 8.290 0.071 0.000 0.517 259 G N -0.705 108.048 108.800 -0.078 0.000 3.247 259 G HA2 0.493 4.521 3.960 0.113 0.000 0.226 259 G HA3 0.493 4.070 3.960 -0.638 0.000 0.226 259 G C -3.487 170.946 174.900 -0.779 0.000 1.220 259 G CA -0.617 44.300 45.100 -0.304 0.000 0.875 259 G HN -0.114 7.857 8.290 -0.207 0.195 0.606 260 H N -4.351 114.194 119.070 -0.875 0.000 3.024 260 H HA 0.174 4.674 4.556 -0.093 0.000 0.324 260 H C -0.666 174.326 175.328 -0.560 0.000 1.347 260 H CA -0.065 55.730 56.048 -0.423 0.000 1.182 260 H CB 2.669 32.293 29.762 -0.230 0.000 1.889 260 H HN -0.155 7.194 8.280 -1.552 0.000 0.528 261 G N 0.056 108.577 108.800 -0.465 0.000 2.444 261 G HA2 -0.026 3.681 3.960 -0.422 0.000 0.303 261 G HA3 -0.026 3.212 3.960 -1.203 0.000 0.303 261 G C -0.456 174.218 174.900 -0.377 0.000 1.032 261 G CA -0.021 44.691 45.100 -0.646 0.000 1.137 261 G HN 0.425 8.449 8.290 -0.443 0.000 0.430 262 D N 7.261 127.586 120.400 -0.124 0.000 2.092 262 D HA -0.210 4.217 4.640 -0.355 0.000 0.193 262 D C 0.115 175.924 176.300 -0.818 0.000 0.994 262 D CA 3.555 57.344 54.000 -0.353 0.000 0.828 262 D CB 0.596 41.334 40.800 -0.103 0.000 0.963 262 D HN -0.186 8.257 8.370 0.122 0.000 0.450 263 Y N -4.761 115.401 120.300 -0.230 0.000 2.346 263 Y HA 0.484 4.967 4.550 -0.453 -0.204 0.332 263 Y C -1.482 174.042 175.900 -0.627 0.000 0.985 263 Y CA -1.271 56.541 58.100 -0.479 0.000 1.112 263 Y CB 3.084 41.201 38.460 -0.572 0.000 1.170 263 Y HN -0.492 7.798 8.280 0.017 0.000 0.447 264 V N 1.985 121.560 119.914 -0.566 0.000 2.447 264 V HA 0.425 4.525 4.120 -0.311 -0.166 0.292 264 V C -0.499 175.382 176.094 -0.356 0.000 1.021 264 V CA -0.616 61.408 62.300 -0.460 0.000 0.850 264 V CB 2.756 34.230 31.823 -0.583 0.000 1.005 264 V HN 0.491 8.369 8.190 -0.520 0.000 0.426 265 W N 7.408 128.703 121.300 -0.007 0.000 2.110 265 W HA 0.095 4.761 4.660 0.010 0.000 0.450 265 W C 0.338 176.824 176.519 -0.054 0.000 0.893 265 W CA -0.203 57.131 57.345 -0.018 0.000 1.688 265 W CB -1.896 27.536 29.460 -0.047 0.000 1.779 265 W HN 0.523 8.894 8.180 0.318 0.000 0.300 266 A N 4.993 127.873 122.820 0.099 0.000 1.908 266 A HA -0.332 4.061 4.320 0.121 0.000 0.218 266 A C 0.802 178.430 177.584 0.074 0.000 1.181 266 A CA 3.648 55.748 52.037 0.106 0.000 0.627 266 A CB -0.521 18.558 19.000 0.132 0.000 0.818 266 A HN -0.105 8.045 8.150 0.036 0.022 0.445 267 T N -6.397 108.196 114.554 0.065 0.000 3.113 267 T HA -0.253 4.102 4.350 0.009 0.000 0.263 267 T C 0.912 175.544 174.700 -0.113 0.000 1.143 267 T CA 0.858 62.961 62.100 0.006 0.000 1.090 267 T CB -0.446 68.443 68.868 0.035 0.000 0.922 267 T HN -0.154 8.136 8.240 0.092 0.005 0.521 268 G N 0.794 109.524 108.800 -0.116 0.000 2.153 268 G HA2 -0.510 3.317 3.960 -0.300 0.000 0.252 268 G HA3 -0.510 3.435 3.960 -0.452 -0.256 0.252 268 G C -1.546 172.987 174.900 -0.612 0.000 0.994 268 G CA 0.717 45.597 45.100 -0.367 0.000 0.698 268 G HN -0.067 8.022 8.290 0.018 0.213 0.521 269 K N -2.142 118.051 120.400 -0.346 0.000 2.323 269 K HA 0.409 4.608 4.320 -0.400 -0.118 0.259 269 K C -1.212 175.272 176.600 -0.194 0.000 0.947 269 K CA -3.058 53.063 56.287 -0.276 0.000 0.819 269 K CB 0.811 33.293 32.500 -0.029 0.000 1.109 269 K HN -0.920 7.216 8.250 -0.126 0.038 0.429 270 F N 1.473 121.363 119.950 -0.099 0.000 2.206 270 F HA -0.262 3.944 4.527 -0.535 0.000 0.298 270 F C 1.700 177.532 175.800 0.053 0.000 1.090 270 F CA 2.295 60.174 58.000 -0.202 0.000 1.323 270 F CB 0.289 39.149 39.000 -0.234 0.000 1.028 270 F HN -0.072 8.056 8.300 -0.286 0.000 0.492 271 N N -1.145 117.706 118.700 0.251 0.000 2.205 271 N HA -0.261 4.587 4.740 0.181 0.000 0.186 271 N C 0.139 175.770 175.510 0.203 0.000 1.015 271 N CA 2.134 55.301 53.050 0.194 0.000 0.862 271 N CB -0.157 38.416 38.487 0.145 0.000 0.986 271 N HN -0.178 8.336 8.380 0.223 0.000 0.429 272 T N 2.517 117.203 114.554 0.220 0.000 2.737 272 T HA 0.245 4.690 4.350 0.158 0.000 0.296 272 T C -2.206 172.669 174.700 0.292 0.000 0.922 272 T CA -1.332 60.892 62.100 0.207 0.000 1.079 272 T CB 0.253 69.222 68.868 0.168 0.000 0.892 272 T HN -0.362 7.980 8.240 0.206 0.022 0.514 273 P HA -0.045 4.516 4.420 0.234 0.000 0.263 273 P C -1.962 175.381 177.300 0.072 0.000 1.168 273 P CA -0.812 62.392 63.100 0.172 0.000 0.759 273 P CB -0.261 31.496 31.700 0.095 0.000 0.782 274 P HA -0.076 4.014 4.420 -0.551 0.000 0.287 274 P C -0.689 176.426 177.300 -0.309 0.000 1.294 274 P CA -0.743 62.012 63.100 -0.575 0.000 0.776 274 P CB 0.850 31.663 31.700 -1.477 0.000 0.889 275 D N 4.211 124.472 120.400 -0.231 0.000 2.307 275 D HA -0.136 4.437 4.640 -0.110 0.000 0.234 275 D C -0.142 176.013 176.300 -0.242 0.000 1.308 275 D CA 1.269 55.169 54.000 -0.166 0.000 0.886 275 D CB 0.697 41.428 40.800 -0.115 0.000 1.202 275 D HN -0.285 7.960 8.370 -0.209 0.000 0.479 276 V N -7.341 112.440 119.914 -0.221 0.000 3.049 276 V HA 0.735 4.797 4.120 -0.480 -0.230 0.309 276 V C -1.065 174.867 176.094 -0.270 0.000 1.148 276 V CA -2.131 59.963 62.300 -0.343 0.000 0.990 276 V CB 4.309 35.933 31.823 -0.331 0.000 1.039 276 V HN -0.159 7.937 8.190 -0.156 0.000 0.430 277 D N -1.563 118.646 120.400 -0.319 0.000 2.718 277 D HA -0.422 4.105 4.640 -0.189 0.000 0.242 277 D C -1.225 175.022 176.300 -0.088 0.000 1.123 277 D CA 1.779 55.667 54.000 -0.187 0.000 0.690 277 D CB -1.601 39.110 40.800 -0.148 0.000 1.059 277 D HN 0.227 8.215 8.370 -0.457 0.108 0.429 278 Q N -1.493 118.236 119.800 -0.119 0.000 2.278 278 Q HA 0.256 4.661 4.340 0.109 0.000 0.257 278 Q C 0.568 176.825 176.000 0.428 0.000 0.928 278 Q CA -1.112 54.726 55.803 0.059 0.000 0.932 278 Q CB 0.845 29.509 28.738 -0.124 0.000 1.221 278 Q HN -0.211 7.908 8.270 -0.251 0.000 0.434 279 E N 2.149 122.635 120.200 0.476 0.000 2.122 279 E HA -0.154 4.438 4.350 0.404 0.000 0.190 279 E C -0.433 176.379 176.600 0.353 0.000 0.977 279 E CA 1.912 58.583 56.400 0.451 0.000 0.820 279 E CB 0.838 30.679 29.700 0.235 0.000 0.770 279 E HN 0.526 9.074 8.360 0.313 0.000 0.462 280 T N -0.343 114.297 114.554 0.142 0.000 3.237 280 T HA 0.488 3.926 4.350 -1.841 -0.193 0.319 280 T C -1.016 173.663 174.700 -0.035 0.000 1.037 280 T CA -0.777 60.943 62.100 -0.634 0.000 1.048 280 T CB 2.324 70.884 68.868 -0.514 0.000 1.081 280 T HN -0.546 7.896 8.240 0.337 0.000 0.455 281 W N 3.861 125.162 121.300 0.002 0.000 2.154 281 W HA 0.245 4.931 4.660 0.044 0.000 0.486 281 W C -2.027 174.570 176.519 0.129 0.000 1.940 281 W CA -2.086 55.284 57.345 0.041 0.000 2.166 281 W CB 0.485 29.954 29.460 0.015 0.000 1.738 281 W HN -0.157 6.708 8.180 -2.191 0.000 0.741 282 F N -0.627 119.426 119.950 0.171 0.000 2.689 282 F HA 0.328 4.978 4.527 -0.042 -0.149 0.332 282 F C -2.412 173.420 175.800 0.053 0.000 1.209 282 F CA -0.508 57.513 58.000 0.035 0.000 1.028 282 F CB 2.597 41.609 39.000 0.019 0.000 1.291 282 F HN -0.022 8.553 8.300 0.457 0.000 0.500 283 I N 6.184 126.366 120.570 -0.647 0.000 2.382 283 I HA 0.561 4.585 4.170 -0.244 0.000 0.286 283 I C -2.359 173.346 176.117 -0.687 0.000 1.002 283 I CA -3.609 57.423 61.300 -0.447 0.000 1.135 283 I CB 2.957 40.820 38.000 -0.228 0.000 1.288 283 I HN -0.181 7.571 8.210 -0.763 0.000 0.448 284 P HA 0.048 4.336 4.420 -0.404 -0.110 0.276 284 P C -0.133 177.084 177.300 -0.139 0.000 1.230 284 P CA -0.921 62.017 63.100 -0.270 0.000 0.776 284 P CB 0.219 31.926 31.700 0.012 0.000 0.888 285 G N 1.882 110.626 108.800 -0.092 0.000 2.341 285 G HA2 -0.421 3.732 3.960 -0.052 0.000 0.231 285 G HA3 -0.421 3.555 3.960 -0.004 -0.018 0.231 285 G C 0.413 175.310 174.900 -0.005 0.000 1.206 285 G CA 0.616 45.695 45.100 -0.036 0.000 0.865 285 G HN 0.853 10.151 8.290 -0.090 -1.062 0.515 286 G N 3.281 112.075 108.800 -0.009 0.000 2.171 286 G HA2 -0.476 3.575 3.960 0.008 0.000 0.238 286 G HA3 -0.476 3.549 3.960 0.108 0.000 0.238 286 G C -1.759 173.075 174.900 -0.109 0.000 1.039 286 G CA -0.126 44.978 45.100 0.007 0.000 0.759 286 G HN 0.172 8.271 8.290 -0.022 0.178 0.501 287 A N -3.035 119.703 122.820 -0.137 0.000 2.594 287 A HA 0.340 4.522 4.320 -0.230 0.000 0.296 287 A C -2.877 174.619 177.584 -0.146 0.000 1.061 287 A CA -0.160 51.779 52.037 -0.163 0.000 0.689 287 A CB 2.708 21.650 19.000 -0.096 0.000 1.280 287 A HN -0.618 7.468 8.150 -0.107 0.000 0.406 288 A N 0.715 123.423 122.820 -0.187 0.000 2.342 288 A HA 0.969 5.399 4.320 -0.024 -0.125 0.323 288 A C -1.185 176.310 177.584 -0.149 0.000 1.125 288 A CA -1.840 50.127 52.037 -0.118 0.000 0.785 288 A CB 2.898 21.818 19.000 -0.135 0.000 1.221 288 A HN 0.429 8.421 8.150 -0.262 0.000 0.463 289 G N -0.078 108.704 108.800 -0.030 0.000 2.938 289 G HA2 0.891 4.866 3.960 -0.096 0.000 0.258 289 G HA3 0.891 4.884 3.960 0.054 0.000 0.258 289 G C -2.722 172.211 174.900 0.055 0.000 1.356 289 G CA -1.948 43.147 45.100 -0.007 0.000 1.052 289 G HN 0.197 8.519 8.290 0.053 0.000 0.550 290 A N -3.228 119.678 122.820 0.142 0.000 2.513 290 A HA 0.568 5.157 4.320 0.165 -0.169 0.296 290 A C -2.971 174.790 177.584 0.294 0.000 1.052 290 A CA -0.273 51.893 52.037 0.214 0.000 0.714 290 A CB 3.004 22.122 19.000 0.196 0.000 1.279 290 A HN -0.379 7.873 8.150 0.170 0.000 0.397 291 A N 2.682 125.608 122.820 0.177 0.000 2.355 291 A HA 0.940 5.417 4.320 -0.011 -0.164 0.317 291 A C -2.681 175.013 177.584 0.184 0.000 1.094 291 A CA -2.131 49.925 52.037 0.032 0.000 0.764 291 A CB 3.400 22.241 19.000 -0.265 0.000 1.230 291 A HN 0.116 8.357 8.150 0.153 0.000 0.448 292 F N 5.588 125.596 119.950 0.097 0.000 2.467 292 F HA 0.830 5.645 4.527 0.168 -0.187 0.336 292 F C -2.525 173.366 175.800 0.151 0.000 1.123 292 F CA -2.917 55.194 58.000 0.185 0.000 0.964 292 F CB 3.807 43.003 39.000 0.326 0.000 1.136 292 F HN 0.587 9.036 8.300 0.249 0.000 0.447 293 Y N 8.504 128.823 120.300 0.031 0.000 2.479 293 Y HA 0.453 5.289 4.550 0.179 -0.179 0.338 293 Y C -2.354 173.475 175.900 -0.117 0.000 1.055 293 Y CA -1.422 56.669 58.100 -0.016 0.000 1.023 293 Y CB 4.232 42.506 38.460 -0.310 0.000 1.287 293 Y HN 0.474 8.592 8.280 -0.269 0.000 0.447 294 T N 9.831 123.817 114.554 -0.947 0.000 2.733 294 T HA 0.342 4.722 4.350 -0.308 -0.214 0.294 294 T C -0.663 173.320 174.700 -1.195 0.000 0.956 294 T CA 0.641 62.336 62.100 -0.676 0.000 0.987 294 T CB 0.550 69.261 68.868 -0.261 0.000 0.920 294 T HN 0.079 8.078 8.240 -0.917 -0.310 0.470 295 F N 6.568 126.196 119.950 -0.536 0.000 2.529 295 F HA -0.117 4.408 4.527 -0.003 0.000 0.365 295 F C 0.525 176.220 175.800 -0.175 0.000 1.102 295 F CA 1.633 59.497 58.000 -0.227 0.000 1.271 295 F CB 0.473 39.421 39.000 -0.086 0.000 1.120 295 F HN 0.091 8.374 8.300 -0.028 0.000 0.579 296 Q N 1.795 121.641 119.800 0.077 0.000 2.245 296 Q HA 0.108 4.439 4.340 -0.014 0.000 0.236 296 Q C -0.848 175.137 176.000 -0.024 0.000 0.842 296 Q CA -0.021 55.784 55.803 0.002 0.000 0.945 296 Q CB 2.022 30.741 28.738 -0.032 0.000 1.122 296 Q HN 0.334 8.710 8.270 0.175 0.000 0.506 297 Q N -2.026 117.795 119.800 0.035 0.000 2.347 297 Q HA 0.486 4.746 4.340 -0.133 0.000 0.271 297 Q C -2.842 173.275 176.000 0.195 0.000 1.064 297 Q CA -2.724 53.067 55.803 -0.021 0.000 0.800 297 Q CB 2.509 31.140 28.738 -0.178 0.000 1.304 297 Q HN -0.402 7.948 8.270 0.132 0.000 0.438 298 P HA -0.033 4.568 4.420 0.201 -0.060 0.279 298 P C -1.276 176.345 177.300 0.536 0.000 1.252 298 P CA -0.844 62.450 63.100 0.323 0.000 0.811 298 P CB 1.224 33.081 31.700 0.262 0.000 1.035 299 G N -0.642 108.437 108.800 0.465 0.000 2.334 299 G HA2 -0.206 3.922 3.960 0.281 0.000 0.315 299 G HA3 -0.206 4.039 3.960 0.475 0.000 0.315 299 G C -3.208 171.986 174.900 0.490 0.000 1.284 299 G CA -0.525 44.840 45.100 0.442 0.000 0.985 299 G HN -0.126 8.250 8.290 0.323 0.108 0.504 300 I N 0.672 121.415 120.570 0.288 0.000 2.331 300 I HA 0.459 5.020 4.170 0.390 -0.157 0.292 300 I C -1.515 174.749 176.117 0.245 0.000 0.998 300 I CA -1.083 60.394 61.300 0.295 0.000 1.267 300 I CB 1.670 39.741 38.000 0.118 0.000 1.386 300 I HN -0.010 8.290 8.210 0.149 0.000 0.476 301 Y N 8.715 129.166 120.300 0.251 0.000 2.409 301 Y HA 0.299 4.988 4.550 0.233 0.000 0.343 301 Y C -1.451 174.671 175.900 0.370 0.000 0.973 301 Y CA -1.587 56.683 58.100 0.285 0.000 1.064 301 Y CB 3.511 42.167 38.460 0.326 0.000 1.207 301 Y HN 0.426 9.129 8.280 0.704 0.000 0.452 302 A N 3.218 126.305 122.820 0.446 0.000 2.306 302 A HA 0.486 5.442 4.320 0.790 -0.162 0.314 302 A C -2.367 175.501 177.584 0.474 0.000 1.164 302 A CA -1.829 50.541 52.037 0.555 0.000 0.822 302 A CB 2.352 21.614 19.000 0.437 0.000 1.130 302 A HN 0.536 8.878 8.150 0.320 0.000 0.496 303 Y N 4.842 125.347 120.300 0.342 0.000 2.326 303 Y HA 0.818 5.630 4.550 0.111 -0.195 0.329 303 Y C -2.085 173.905 175.900 0.151 0.000 0.973 303 Y CA -1.707 56.501 58.100 0.180 0.000 1.162 303 Y CB 2.335 40.874 38.460 0.132 0.000 1.147 303 Y HN 0.131 8.673 8.280 0.618 0.109 0.456 304 V N 1.841 121.483 119.914 -0.452 0.000 3.253 304 V HA 0.512 4.588 4.120 -0.072 0.000 0.300 304 V C -2.856 173.050 176.094 -0.314 0.000 1.398 304 V CA -3.137 59.033 62.300 -0.216 0.000 1.067 304 V CB 3.866 35.682 31.823 -0.012 0.000 1.102 304 V HN 0.066 7.991 8.190 -0.441 0.000 0.455 305 N N 0.115 118.781 118.700 -0.055 0.000 2.447 305 N HA -0.312 4.441 4.740 -0.232 -0.152 0.263 305 N C -0.006 175.431 175.510 -0.121 0.000 1.226 305 N CA 0.557 53.546 53.050 -0.102 0.000 0.906 305 N CB -0.016 38.496 38.487 0.042 0.000 1.060 305 N HN -0.227 8.322 8.380 0.280 0.000 0.468 306 H N 6.323 125.252 119.070 -0.235 0.000 2.321 306 H HA -0.322 4.099 4.556 -0.225 0.000 0.300 306 H C 1.112 176.364 175.328 -0.126 0.000 1.087 306 H CA 2.966 58.886 56.048 -0.213 0.000 1.319 306 H CB 0.703 30.310 29.762 -0.258 0.000 1.379 306 H HN 0.441 8.555 8.280 -0.102 0.105 0.501 307 N N 0.404 119.081 118.700 -0.039 0.000 1.998 307 N HA -0.212 4.505 4.740 -0.039 0.000 0.276 307 N C 0.848 176.289 175.510 -0.114 0.000 1.364 307 N CA 0.599 53.614 53.050 -0.059 0.000 1.034 307 N CB -0.439 38.030 38.487 -0.030 0.000 1.454 307 N HN -0.437 8.135 8.380 0.006 -0.188 0.476 308 L N 3.334 124.465 121.223 -0.155 0.000 2.051 308 L HA -0.456 3.829 4.340 -0.071 0.012 0.214 308 L C 2.047 178.943 176.870 0.044 0.000 1.076 308 L CA 3.225 58.037 54.840 -0.048 0.000 0.758 308 L CB -0.121 41.924 42.059 -0.024 0.000 0.890 308 L HN 0.315 8.446 8.230 -0.198 -0.020 0.433 309 I N -1.775 118.797 120.570 0.003 0.000 2.127 309 I HA -0.651 3.542 4.170 0.039 0.000 0.241 309 I C 1.925 178.024 176.117 -0.030 0.000 1.075 309 I CA 3.886 65.189 61.300 0.005 0.000 1.334 309 I CB -0.528 37.462 38.000 -0.016 0.000 1.040 309 I HN -0.284 7.945 8.210 -0.024 -0.033 0.405 310 E N -1.352 118.811 120.200 -0.062 0.000 2.153 310 E HA -0.441 3.846 4.350 -0.105 0.000 0.194 310 E C 2.370 178.875 176.600 -0.157 0.000 0.988 310 E CA 3.108 59.448 56.400 -0.100 0.000 0.811 310 E CB -0.370 29.282 29.700 -0.081 0.000 0.746 310 E HN 0.022 8.662 8.360 -0.054 -0.313 0.466 311 A N -1.948 120.757 122.820 -0.191 0.000 2.030 311 A HA -0.080 4.157 4.320 -0.318 -0.108 0.215 311 A C 0.883 178.158 177.584 -0.515 0.000 1.164 311 A CA 2.385 54.200 52.037 -0.370 0.000 0.697 311 A CB 0.165 18.876 19.000 -0.482 0.000 0.827 311 A HN 0.220 8.157 8.150 -0.149 0.123 0.457 312 F N -4.527 115.386 119.950 -0.061 0.000 2.592 312 F HA 0.078 4.595 4.527 -0.015 0.000 0.280 312 F C 1.262 177.032 175.800 -0.051 0.000 1.083 312 F CA 2.001 59.977 58.000 -0.040 0.000 1.365 312 F CB 1.423 40.397 39.000 -0.042 0.000 1.100 312 F HN 0.133 8.339 8.300 0.005 0.097 0.633 313 E N -1.391 118.873 120.200 0.106 0.000 2.250 313 E HA -0.044 4.332 4.350 0.044 0.000 0.192 313 E C 0.817 177.387 176.600 -0.050 0.000 0.986 313 E CA 1.734 58.149 56.400 0.026 0.000 0.849 313 E CB 0.755 30.459 29.700 0.006 0.000 0.797 313 E HN -0.199 8.126 8.360 0.100 0.095 0.482 314 L N -3.981 117.187 121.223 -0.092 0.000 2.269 314 L HA 0.140 4.359 4.340 -0.203 0.000 0.200 314 L C 1.025 177.814 176.870 -0.135 0.000 1.069 314 L CA 1.059 55.807 54.840 -0.153 0.000 0.804 314 L CB 1.216 43.175 42.059 -0.167 0.000 0.987 314 L HN -0.440 7.739 8.230 -0.085 0.000 0.468 315 G N -5.163 103.529 108.800 -0.179 0.000 2.223 315 G HA2 -0.149 3.709 3.960 -0.170 0.000 0.200 315 G HA3 -0.149 3.710 3.960 -0.168 0.000 0.200 315 G C -1.537 173.077 174.900 -0.477 0.000 1.061 315 G CA -0.324 44.641 45.100 -0.225 0.000 0.790 315 G HN -0.683 7.492 8.290 -0.191 0.000 0.498 316 A N -0.238 122.257 122.820 -0.541 0.000 3.245 316 A HA 0.448 3.455 4.320 -2.187 0.000 0.282 316 A C -2.639 174.752 177.584 -0.321 0.000 1.417 316 A CA -1.370 50.048 52.037 -1.032 0.000 1.149 316 A CB -0.603 18.116 19.000 -0.470 0.000 1.155 316 A HN -0.106 7.821 8.150 -0.373 0.000 0.602 317 A N -0.520 122.174 122.820 -0.210 0.000 2.456 317 A HA 0.466 5.083 4.320 0.278 -0.130 0.288 317 A C -2.428 175.139 177.584 -0.030 0.000 1.042 317 A CA -0.449 51.619 52.037 0.051 0.000 0.738 317 A CB 2.627 21.497 19.000 -0.216 0.000 1.266 317 A HN -0.703 7.159 8.150 -0.400 0.048 0.407 318 A N 3.509 126.389 122.820 0.101 0.000 2.373 318 A HA 0.365 4.359 4.320 -0.544 0.000 0.291 318 A C -2.249 175.131 177.584 -0.339 0.000 1.171 318 A CA -1.369 50.524 52.037 -0.240 0.000 0.922 318 A CB 2.751 21.799 19.000 0.079 0.000 1.400 318 A HN 0.369 8.740 8.150 0.367 0.000 0.474 319 H N -4.049 115.105 119.070 0.140 0.000 2.954 319 H HA 0.646 5.628 4.556 0.435 -0.165 0.361 319 H C -1.373 174.000 175.328 0.077 0.000 1.122 319 H CA -1.662 54.528 56.048 0.237 0.000 1.217 319 H CB 3.679 33.530 29.762 0.148 0.000 1.776 319 H HN 0.285 8.384 8.280 -0.301 0.000 0.533 320 F N 0.905 120.988 119.950 0.222 0.000 2.427 320 F HA 0.252 4.890 4.527 -0.030 -0.129 0.346 320 F C -0.750 175.097 175.800 0.079 0.000 1.120 320 F CA -1.642 56.394 58.000 0.061 0.000 1.033 320 F CB 1.710 40.721 39.000 0.018 0.000 1.126 320 F HN 1.012 9.738 8.300 0.883 0.104 0.462 321 K N 4.018 124.486 120.400 0.113 0.000 2.227 321 K HA 0.288 4.841 4.320 0.183 -0.123 0.280 321 K C -1.466 175.144 176.600 0.017 0.000 1.041 321 K CA -0.209 56.139 56.287 0.101 0.000 0.905 321 K CB 1.296 33.829 32.500 0.055 0.000 1.068 321 K HN -0.032 8.217 8.250 -0.001 0.000 0.470 322 V N 5.000 124.932 119.914 0.031 0.000 2.656 322 V HA 1.115 5.351 4.120 -0.148 -0.204 0.307 322 V C 0.244 176.353 176.094 0.025 0.000 1.051 322 V CA -3.209 59.039 62.300 -0.086 0.000 0.893 322 V CB 2.718 34.379 31.823 -0.270 0.000 0.999 322 V HN 0.333 8.609 8.190 0.143 0.000 0.426 323 T N 2.777 117.336 114.554 0.009 0.000 2.945 323 T HA 0.424 4.824 4.350 0.083 0.000 0.286 323 T C -1.082 173.654 174.700 0.060 0.000 1.025 323 T CA -2.324 59.808 62.100 0.053 0.000 1.039 323 T CB 2.220 71.113 68.868 0.042 0.000 1.068 323 T HN 0.148 8.369 8.240 -0.031 0.000 0.497 324 G N -0.316 108.535 108.800 0.085 0.000 2.350 324 G HA2 -0.149 3.852 3.960 0.068 0.000 0.282 324 G HA3 -0.149 3.857 3.960 0.077 0.000 0.282 324 G C -2.638 172.332 174.900 0.118 0.000 1.314 324 G CA -0.374 44.776 45.100 0.085 0.000 0.915 324 G HN -0.393 7.954 8.290 0.095 0.000 0.499 325 E N 0.276 120.543 120.200 0.112 0.000 2.179 325 E HA 0.271 4.725 4.350 0.173 0.000 0.275 325 E C -0.562 176.151 176.600 0.189 0.000 0.945 325 E CA -1.800 54.689 56.400 0.149 0.000 0.792 325 E CB 1.567 31.332 29.700 0.107 0.000 1.125 325 E HN 0.026 8.436 8.360 0.084 0.000 0.397 326 W N 5.872 127.219 121.300 0.078 0.000 2.137 326 W HA -0.119 4.716 4.660 0.116 -0.106 0.344 326 W C -1.210 175.356 176.519 0.079 0.000 1.286 326 W CA 0.241 57.641 57.345 0.092 0.000 1.240 326 W CB 0.920 30.432 29.460 0.085 0.000 1.141 326 W HN 0.252 8.668 8.180 0.392 0.000 0.579 327 N N 5.656 123.952 118.700 -0.674 0.000 2.524 327 N HA 0.240 4.947 4.740 -0.055 0.000 0.261 327 N C -0.732 174.625 175.510 -0.255 0.000 0.998 327 N CA -1.490 51.371 53.050 -0.316 0.000 0.915 327 N CB 1.909 40.221 38.487 -0.291 0.000 1.187 327 N HN 0.573 8.416 8.380 -1.610 -0.429 0.507 328 D N 7.335 127.838 120.400 0.172 0.000 2.144 328 D HA -0.221 5.018 4.640 0.641 -0.214 0.200 328 D C 0.983 177.377 176.300 0.155 0.000 0.978 328 D CA 2.881 57.077 54.000 0.327 0.000 0.833 328 D CB 0.123 41.085 40.800 0.271 0.000 0.961 328 D HN 0.484 8.980 8.370 0.210 0.000 0.470 329 D N -0.905 119.536 120.400 0.069 0.000 2.133 329 D HA -0.235 4.437 4.640 0.054 0.000 0.192 329 D C 1.711 178.026 176.300 0.025 0.000 1.001 329 D CA 2.417 56.440 54.000 0.039 0.000 0.844 329 D CB 0.074 40.881 40.800 0.011 0.000 0.944 329 D HN -0.373 8.145 8.370 0.058 -0.114 0.447 330 L N -2.859 118.349 121.223 -0.025 0.000 2.056 330 L HA -0.225 4.104 4.340 -0.017 0.000 0.207 330 L C 0.703 177.600 176.870 0.045 0.000 1.078 330 L CA 1.231 56.050 54.840 -0.035 0.000 0.749 330 L CB 0.878 42.857 42.059 -0.133 0.000 0.901 330 L HN -0.787 7.584 8.230 -0.072 -0.184 0.433 331 M N -4.123 115.555 119.600 0.131 0.000 2.333 331 M HA 0.190 4.798 4.480 0.213 0.000 0.286 331 M C -2.480 174.120 176.300 0.499 0.000 1.113 331 M CA 0.606 56.090 55.300 0.306 0.000 0.959 331 M CB 2.966 35.802 32.600 0.392 0.000 1.776 331 M HN -0.650 7.621 8.290 0.094 0.075 0.492 332 T N 3.467 118.208 114.554 0.311 0.000 2.993 332 T HA 0.214 4.725 4.350 0.269 0.000 0.312 332 T C -1.017 173.748 174.700 0.109 0.000 1.115 332 T CA -0.507 61.733 62.100 0.234 0.000 1.027 332 T CB 1.258 70.242 68.868 0.194 0.000 1.116 332 T HN 0.014 8.388 8.240 0.224 0.000 0.464 333 S N 7.888 123.607 115.700 0.032 0.000 2.494 333 S HA 0.065 4.551 4.470 0.026 0.000 0.312 333 S C 0.475 175.080 174.600 0.010 0.000 1.121 333 S CA -0.117 58.087 58.200 0.006 0.000 1.068 333 S CB -0.621 62.553 63.200 -0.043 0.000 1.141 333 S HN 0.354 8.654 8.310 -0.018 0.000 0.527 334 V N 6.228 126.156 119.914 0.024 0.000 2.295 334 V HA -0.247 3.888 4.120 0.024 0.000 0.246 334 V C -0.046 176.053 176.094 0.008 0.000 1.049 334 V CA 1.339 63.651 62.300 0.021 0.000 1.024 334 V CB 0.192 32.030 31.823 0.026 0.000 0.648 334 V HN 0.125 8.335 8.190 0.034 0.000 0.447 335 L N -0.564 120.662 121.223 0.005 0.000 2.377 335 L HA 0.099 4.437 4.340 -0.004 0.000 0.270 335 L C -1.501 175.363 176.870 -0.009 0.000 0.991 335 L CA -0.623 54.216 54.840 -0.002 0.000 0.851 335 L CB 0.239 42.299 42.059 0.001 0.000 1.218 335 L HN -0.587 7.648 8.230 0.009 0.000 0.420 336 A N 5.811 128.621 122.820 -0.017 0.000 2.466 336 A HA 0.178 4.481 4.320 -0.029 0.000 0.238 336 A C -1.241 176.331 177.584 -0.020 0.000 1.074 336 A CA -1.674 50.347 52.037 -0.025 0.000 0.774 336 A CB -0.800 18.180 19.000 -0.034 0.000 1.015 336 A HN 0.036 8.175 8.150 -0.017 0.000 0.498 337 P HA -0.119 4.291 4.420 -0.015 0.000 0.258 337 P C -1.495 175.794 177.300 -0.017 0.000 1.172 337 P CA 0.881 63.969 63.100 -0.019 0.000 0.762 337 P CB -0.115 31.571 31.700 -0.023 0.000 0.764 338 S N 1.402 117.094 115.700 -0.014 0.000 2.611 338 S HA 0.215 4.677 4.470 -0.014 0.000 0.268 338 S C -0.035 174.559 174.600 -0.010 0.000 1.156 338 S CA -0.906 57.287 58.200 -0.012 0.000 0.817 338 S CB 1.257 64.450 63.200 -0.011 0.000 1.122 338 S HN -0.243 8.059 8.310 -0.012 0.000 0.466 339 G N 0.000 108.794 108.800 -0.010 0.000 5.446 339 G HA2 0.000 nan 3.960 nan 0.000 0.244 339 G HA3 0.000 3.955 3.960 -0.008 0.000 0.244 339 G CA 0.000 45.095 45.100 -0.008 0.000 0.502 339 G HN 0.000 8.284 8.290 -0.010 0.000 0.925