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 1l0m_1_A DATA FIRST_RESID 7 DATA SEQUENCE RPEWIWLALG TALMGLGTLY FLVKGMGVSD PDAKKFYAIT TLVPAIAFTM DATA SEQUENCE YLSMLLGYGL TMVPFGGEQN PIYWARYADW LFTTPLLLLD LALLVDADQG DATA SEQUENCE TILALVGADG IMIGTGLVGA LTKVYSYRFV WWAISTAAML YILYVLFFGF DATA SEQUENCE TSKAESMRPE VASTFKVLRN VTVVLWSAYP VVWLIGSEGA GIVPLNIETL DATA SEQUENCE LFMVLDVSAK VG 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 7 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 7 R C 0.000 176.189 176.300 -0.185 0.000 0.893 7 R CA 0.000 56.082 56.100 -0.030 0.000 0.921 7 R CB 0.000 30.323 30.300 0.038 0.000 0.687 8 P HA -0.097 4.209 4.420 -0.190 0.000 0.261 8 P C -1.305 175.775 177.300 -0.366 0.000 1.158 8 P CA 0.652 63.642 63.100 -0.183 0.000 0.758 8 P CB 0.357 32.059 31.700 0.003 0.000 0.763 9 E N 2.995 122.821 120.200 -0.624 0.000 2.435 9 E HA -0.243 4.082 4.350 -0.041 0.000 0.254 9 E C 0.616 176.607 176.600 -1.015 0.000 1.289 9 E CA -0.028 56.008 56.400 -0.607 0.000 0.983 9 E CB 0.618 29.988 29.700 -0.551 0.000 1.010 9 E HN 0.103 8.050 8.360 -0.689 0.000 0.509 10 W N -6.837 114.473 121.300 0.018 0.000 5.538 10 W HA -0.341 4.400 4.660 -0.109 -0.147 0.377 10 W C -2.058 174.463 176.519 0.004 0.000 1.406 10 W CA 0.774 58.098 57.345 -0.035 0.000 0.940 10 W CB -2.639 26.804 29.460 -0.029 0.000 2.536 10 W HN 0.439 8.564 8.180 -0.091 0.000 1.504 11 I N -3.049 117.537 120.570 0.027 0.000 4.881 11 I HA -0.055 4.169 4.170 0.089 0.000 0.319 11 I C 1.451 177.642 176.117 0.125 0.000 1.205 11 I CA 0.025 61.373 61.300 0.081 0.000 1.368 11 I CB 0.587 38.638 38.000 0.085 0.000 1.484 11 I HN -0.566 7.574 8.210 -0.032 0.051 0.486 12 W N 2.899 124.212 121.300 0.022 0.000 2.332 12 W HA -0.231 4.544 4.660 0.192 0.000 0.321 12 W C -0.157 176.301 176.519 -0.102 0.000 1.219 12 W CA 2.926 60.285 57.345 0.023 0.000 1.277 12 W CB -0.053 29.373 29.460 -0.057 0.000 1.161 12 W HN -0.240 8.045 8.180 0.176 0.000 0.476 13 L N -4.913 115.769 121.223 -0.901 0.000 2.679 13 L HA 0.406 4.167 4.340 -0.965 0.000 0.238 13 L C -1.443 175.223 176.870 -0.340 0.000 1.330 13 L CA -1.149 53.096 54.840 -0.991 0.000 0.935 13 L CB -0.601 40.436 42.059 -1.703 0.000 1.243 13 L HN -0.523 7.412 8.230 -0.491 0.000 0.484 14 A N 2.831 125.552 122.820 -0.164 0.000 1.766 14 A HA 0.079 4.361 4.320 -0.063 0.000 0.172 14 A C -1.492 176.080 177.584 -0.019 0.000 1.489 14 A CA 0.694 52.710 52.037 -0.035 0.000 1.662 14 A CB 0.820 19.876 19.000 0.093 0.000 1.591 14 A HN -0.359 7.679 8.150 -0.187 0.000 0.804 15 L N 0.178 121.416 121.223 0.025 0.000 2.506 15 L HA -0.325 4.020 4.340 0.009 0.000 0.281 15 L C 1.249 178.175 176.870 0.093 0.000 1.228 15 L CA 1.434 56.298 54.840 0.040 0.000 0.850 15 L CB 0.299 42.396 42.059 0.064 0.000 1.110 15 L HN -0.125 8.137 8.230 0.054 0.000 0.496 16 G N 2.289 111.165 108.800 0.128 0.000 2.496 16 G HA2 -0.402 3.694 3.960 0.227 0.000 0.243 16 G HA3 -0.402 3.842 3.960 0.473 0.000 0.243 16 G C 0.966 175.882 174.900 0.027 0.000 1.176 16 G CA 0.285 45.543 45.100 0.265 0.000 0.940 16 G HN 0.060 8.370 8.290 0.034 0.000 0.573 17 T N 3.613 118.205 114.554 0.064 0.000 2.582 17 T HA -0.627 3.898 4.350 0.292 0.000 0.238 17 T C 1.050 175.703 174.700 -0.077 0.000 1.283 17 T CA 3.741 65.883 62.100 0.071 0.000 1.101 17 T CB -0.755 68.131 68.868 0.030 0.000 0.823 17 T HN 0.136 8.448 8.240 0.120 0.000 0.467 18 A N -2.438 120.339 122.820 -0.071 0.000 2.390 18 A HA 0.198 4.489 4.320 -0.049 0.000 0.232 18 A C -0.075 177.461 177.584 -0.080 0.000 1.233 18 A CA 0.973 52.973 52.037 -0.061 0.000 0.907 18 A CB 0.598 19.579 19.000 -0.031 0.000 0.967 18 A HN 0.052 8.144 8.150 -0.061 0.022 0.512 19 L N -5.140 116.026 121.223 -0.095 0.000 2.746 19 L HA 0.171 4.467 4.340 -0.073 0.000 0.230 19 L C 1.197 177.998 176.870 -0.115 0.000 1.034 19 L CA 1.311 56.104 54.840 -0.079 0.000 0.922 19 L CB 1.494 43.535 42.059 -0.031 0.000 1.496 19 L HN 0.043 8.104 8.230 -0.105 0.106 0.498 20 M N -0.574 118.945 119.600 -0.136 0.000 2.556 20 M HA 0.011 4.403 4.480 -0.147 0.000 0.245 20 M C 0.189 176.278 176.300 -0.352 0.000 1.128 20 M CA 1.840 57.033 55.300 -0.178 0.000 1.069 20 M CB 0.891 33.412 32.600 -0.132 0.000 1.469 20 M HN 0.195 8.386 8.290 -0.114 0.031 0.494 21 G N -0.951 107.506 108.800 -0.572 0.000 2.319 21 G HA2 0.010 3.398 3.960 -0.930 0.000 0.308 21 G HA3 0.010 3.072 3.960 -1.722 -0.135 0.308 21 G C -1.771 172.878 174.900 -0.417 0.000 1.117 21 G CA -0.108 44.422 45.100 -0.950 0.000 0.903 21 G HN -0.059 7.895 8.290 -0.403 0.095 0.436 22 L N 1.243 122.311 121.223 -0.258 0.000 1.893 22 L HA -0.168 4.121 4.340 -0.084 0.000 0.497 22 L C 0.159 176.989 176.870 -0.066 0.000 0.726 22 L CA 1.472 56.243 54.840 -0.116 0.000 3.089 22 L CB -0.860 41.145 42.059 -0.091 0.000 0.782 22 L HN -0.105 8.026 8.230 -0.270 -0.063 0.733 23 G N -0.154 108.590 108.800 -0.094 0.000 2.666 23 G HA2 -0.193 3.771 3.960 0.007 0.000 0.215 23 G HA3 -0.193 3.781 3.960 -0.094 -0.071 0.215 23 G C 0.597 175.482 174.900 -0.026 0.000 1.294 23 G CA 1.815 46.882 45.100 -0.056 0.000 0.811 23 G HN 0.355 8.400 8.290 -0.140 0.162 0.594 24 T N 2.131 116.604 114.554 -0.134 0.000 3.609 24 T HA -0.092 4.365 4.350 0.178 0.000 0.245 24 T C -0.237 174.502 174.700 0.065 0.000 0.980 24 T CA -0.041 62.060 62.100 0.002 0.000 0.940 24 T CB -1.055 67.786 68.868 -0.046 0.000 1.105 24 T HN 0.075 8.020 8.240 -0.259 0.139 0.627 25 L N 0.357 121.589 121.223 0.015 0.000 2.784 25 L HA 0.218 4.212 4.340 -0.576 0.000 0.241 25 L C -1.945 175.032 176.870 0.178 0.000 1.352 25 L CA -0.293 54.481 54.840 -0.111 0.000 0.911 25 L CB 0.224 42.166 42.059 -0.196 0.000 1.227 25 L HN -0.588 7.549 8.230 0.041 0.118 0.501 26 Y N -4.761 115.594 120.300 0.092 0.000 2.744 26 Y HA 0.265 4.978 4.550 0.089 -0.110 0.330 26 Y C -1.266 174.755 175.900 0.202 0.000 1.263 26 Y CA -3.088 55.087 58.100 0.125 0.000 1.065 26 Y CB 2.156 40.706 38.460 0.150 0.000 1.306 26 Y HN -0.907 7.651 8.280 0.407 -0.033 0.459 27 F N 4.019 124.049 119.950 0.134 0.000 2.578 27 F HA 0.271 4.820 4.527 0.037 0.000 0.314 27 F C -2.016 173.762 175.800 -0.036 0.000 1.225 27 F CA -1.159 56.867 58.000 0.043 0.000 1.215 27 F CB -0.356 38.672 39.000 0.048 0.000 1.448 27 F HN 0.336 8.857 8.300 0.369 0.000 0.548 28 L N -2.418 118.814 121.223 0.016 0.000 2.325 28 L HA 0.416 4.939 4.340 0.073 -0.139 0.281 28 L C -1.877 174.921 176.870 -0.120 0.000 1.004 28 L CA -1.962 52.848 54.840 -0.050 0.000 0.823 28 L CB -0.533 41.464 42.059 -0.103 0.000 1.236 28 L HN -0.094 7.985 8.230 -0.101 0.090 0.415 29 V N 4.521 124.578 119.914 0.238 0.000 2.685 29 V HA -0.013 4.266 4.120 0.264 0.000 0.244 29 V C 0.145 176.305 176.094 0.111 0.000 1.054 29 V CA 1.660 64.120 62.300 0.267 0.000 1.076 29 V CB 1.678 33.695 31.823 0.324 0.000 0.725 29 V HN 0.773 9.040 8.190 0.232 0.062 0.467 30 K N -0.836 119.611 120.400 0.078 0.000 2.716 30 K HA 0.212 4.534 4.320 0.003 0.000 0.249 30 K C -1.414 175.167 176.600 -0.033 0.000 1.004 30 K CA -0.362 55.933 56.287 0.014 0.000 0.968 30 K CB 1.381 33.882 32.500 0.002 0.000 1.214 30 K HN -0.797 7.519 8.250 0.111 0.000 0.476 31 G N 4.017 112.780 108.800 -0.062 0.000 2.416 31 G HA2 0.247 4.081 3.960 -0.210 0.000 0.329 31 G HA3 0.247 4.071 3.960 -0.226 0.000 0.329 31 G C -0.358 174.505 174.900 -0.062 0.000 1.173 31 G CA -1.635 43.374 45.100 -0.151 0.000 0.929 31 G HN -0.072 8.197 8.290 -0.034 0.000 0.475 32 M N 1.529 121.107 119.600 -0.037 0.000 4.668 32 M HA -0.495 3.975 4.480 -0.017 0.000 0.301 32 M C 2.010 178.308 176.300 -0.004 0.000 0.899 32 M CA 2.111 57.411 55.300 0.000 0.000 0.992 32 M CB -0.596 32.041 32.600 0.062 0.000 1.334 32 M HN 0.016 8.265 8.290 -0.070 0.000 0.716 33 G N -3.486 105.314 108.800 0.000 0.000 4.825 33 G HA2 -0.465 3.560 3.960 -0.020 0.000 0.224 33 G HA3 -0.465 3.601 3.960 -0.025 -0.122 0.224 33 G C 0.308 175.205 174.900 -0.006 0.000 1.356 33 G CA 0.430 45.522 45.100 -0.014 0.000 0.966 33 G HN 0.078 8.378 8.290 0.016 0.000 0.690 34 V N -0.477 119.435 119.914 -0.003 0.000 5.726 34 V HA -0.381 3.739 4.120 0.000 0.000 0.260 34 V C -1.195 174.898 176.094 -0.001 0.000 0.657 34 V CA 0.210 62.510 62.300 0.001 0.000 0.584 34 V CB -0.198 31.629 31.823 0.007 0.000 0.241 34 V HN 0.022 8.131 8.190 -0.004 0.079 0.652 35 S N 0.041 115.738 115.700 -0.004 0.000 2.404 35 S HA 0.003 4.472 4.470 -0.002 0.000 0.223 35 S C -1.153 173.438 174.600 -0.014 0.000 1.040 35 S CA 0.948 59.146 58.200 -0.004 0.000 0.957 35 S CB 1.035 64.235 63.200 -0.000 0.000 0.826 35 S HN -0.170 8.138 8.310 -0.004 0.000 0.491 36 D N -1.525 118.863 120.400 -0.019 0.000 2.696 36 D HA 0.248 4.858 4.640 -0.049 0.000 0.251 36 D C -2.114 174.164 176.300 -0.036 0.000 1.188 36 D CA -2.760 51.220 54.000 -0.034 0.000 0.876 36 D CB 2.439 43.223 40.800 -0.028 0.000 1.334 36 D HN -0.456 7.905 8.370 -0.014 0.000 0.540 37 P HA 0.192 4.636 4.420 -0.033 -0.044 0.232 37 P C -1.567 175.703 177.300 -0.049 0.000 1.814 37 P CA -0.617 62.458 63.100 -0.042 0.000 1.085 37 P CB -0.535 31.142 31.700 -0.038 0.000 1.901 38 D N 3.802 124.176 120.400 -0.043 0.000 2.103 38 D HA -0.275 4.331 4.640 -0.056 0.000 0.199 38 D C 1.239 177.508 176.300 -0.052 0.000 0.978 38 D CA 2.301 56.272 54.000 -0.047 0.000 0.829 38 D CB 0.835 41.613 40.800 -0.037 0.000 0.981 38 D HN -0.305 7.991 8.370 -0.036 0.054 0.464 39 A N -0.121 122.677 122.820 -0.038 0.000 5.031 39 A HA -0.477 3.830 4.320 -0.020 0.000 0.368 39 A C -0.660 176.901 177.584 -0.039 0.000 1.508 39 A CA 2.607 54.626 52.037 -0.030 0.000 0.731 39 A CB -0.818 18.170 19.000 -0.019 0.000 1.511 39 A HN 0.046 8.178 8.150 -0.031 0.000 0.424 40 K N -4.983 115.383 120.400 -0.058 0.000 2.803 40 K HA -0.014 4.289 4.320 -0.028 0.000 0.166 40 K C 1.785 178.319 176.600 -0.110 0.000 1.975 40 K CA -0.317 55.927 56.287 -0.073 0.000 1.390 40 K CB 0.060 32.498 32.500 -0.104 0.000 2.217 40 K HN -0.304 7.912 8.250 -0.057 0.000 0.591 41 K N -0.074 120.212 120.400 -0.190 0.000 2.712 41 K HA -0.300 3.793 4.320 -0.378 0.000 0.194 41 K C -0.957 174.935 176.600 -1.180 0.000 1.040 41 K CA 1.222 57.238 56.287 -0.451 0.000 0.896 41 K CB -2.165 30.134 32.500 -0.336 0.000 0.790 41 K HN 0.343 8.505 8.250 -0.146 0.000 0.536 42 F N -1.525 118.186 119.950 -0.399 0.000 2.508 42 F HA 0.182 4.388 4.527 -0.535 0.000 0.325 42 F C -0.778 174.583 175.800 -0.731 0.000 1.090 42 F CA -0.916 56.618 58.000 -0.778 0.000 0.945 42 F CB 2.796 40.975 39.000 -1.368 0.000 1.156 42 F HN -0.453 7.501 8.300 -0.394 0.110 0.463 43 Y N 2.730 123.000 120.300 -0.051 0.000 2.307 43 Y HA 0.068 4.636 4.550 0.030 0.000 0.323 43 Y C -2.113 173.845 175.900 0.096 0.000 1.100 43 Y CA -0.481 57.621 58.100 0.002 0.000 1.140 43 Y CB 2.943 41.377 38.460 -0.045 0.000 1.159 43 Y HN -0.012 8.303 8.280 0.058 0.000 0.436 44 A N 3.204 126.156 122.820 0.221 0.000 2.454 44 A HA 0.474 4.804 4.320 0.015 0.000 0.302 44 A C -2.388 175.220 177.584 0.039 0.000 1.079 44 A CA -1.848 50.200 52.037 0.018 0.000 0.731 44 A CB 2.837 21.687 19.000 -0.251 0.000 1.299 44 A HN -0.202 8.051 8.150 0.173 0.000 0.413 45 I N -2.281 118.275 120.570 -0.023 0.000 2.488 45 I HA 0.421 4.559 4.170 -0.054 0.000 0.299 45 I C -0.069 176.057 176.117 0.014 0.000 0.984 45 I CA -1.830 59.443 61.300 -0.046 0.000 1.250 45 I CB 2.562 40.496 38.000 -0.111 0.000 1.389 45 I HN 0.088 8.341 8.210 -0.040 -0.067 0.488 46 T N 7.012 121.577 114.554 0.019 0.000 3.339 46 T HA 0.387 4.970 4.350 0.238 -0.091 0.292 46 T C -1.423 173.283 174.700 0.011 0.000 1.012 46 T CA -0.356 61.805 62.100 0.102 0.000 0.937 46 T CB 0.767 69.689 68.868 0.089 0.000 1.164 46 T HN 0.712 8.941 8.240 -0.018 0.000 0.509 47 T N -2.087 112.439 114.554 -0.047 0.000 2.892 47 T HA 0.304 4.767 4.350 0.021 -0.100 0.311 47 T C -1.970 172.707 174.700 -0.039 0.000 1.033 47 T CA -1.600 60.487 62.100 -0.021 0.000 0.991 47 T CB 0.238 69.082 68.868 -0.040 0.000 0.981 47 T HN -0.634 7.541 8.240 -0.108 0.000 0.457 48 L N 4.571 125.763 121.223 -0.051 0.000 2.678 48 L HA 0.452 4.731 4.340 -0.102 0.000 0.187 48 L C 0.062 176.855 176.870 -0.129 0.000 1.073 48 L CA 0.983 55.764 54.840 -0.098 0.000 0.883 48 L CB 1.569 43.565 42.059 -0.107 0.000 1.501 48 L HN 0.762 8.900 8.230 -0.032 0.073 0.488 49 V N 1.994 121.847 119.914 -0.101 0.000 2.216 49 V HA -0.200 3.826 4.120 -0.156 0.000 0.243 49 V C -1.555 174.494 176.094 -0.076 0.000 1.044 49 V CA 5.253 67.491 62.300 -0.103 0.000 0.995 49 V CB -2.497 29.287 31.823 -0.066 0.000 0.633 49 V HN -0.044 8.050 8.190 -0.068 0.055 0.446 50 P HA -0.201 4.174 4.420 -0.076 0.000 0.227 50 P C -0.253 177.096 177.300 0.082 0.000 1.145 50 P CA 1.677 64.747 63.100 -0.050 0.000 0.769 50 P CB -0.528 31.092 31.700 -0.134 0.000 0.769 51 A N -3.137 119.712 122.820 0.049 0.000 1.843 51 A HA -0.127 4.302 4.320 0.181 0.000 0.213 51 A C 0.474 178.103 177.584 0.074 0.000 1.239 51 A CA 1.786 53.873 52.037 0.084 0.000 0.606 51 A CB 0.485 19.492 19.000 0.012 0.000 0.903 51 A HN -0.975 7.010 8.150 -0.016 0.155 0.455 52 I N -2.025 118.494 120.570 -0.086 0.000 2.749 52 I HA -0.046 4.061 4.170 -0.105 0.000 0.283 52 I C -1.069 175.054 176.117 0.010 0.000 0.993 52 I CA -1.008 60.103 61.300 -0.316 0.000 2.393 52 I CB -3.426 34.054 38.000 -0.867 0.000 1.549 52 I HN 0.238 8.247 8.210 -0.141 0.116 1.045 53 A N 1.788 124.755 122.820 0.245 0.000 2.031 53 A HA -0.007 4.463 4.320 0.250 0.000 0.159 53 A C -1.303 176.439 177.584 0.263 0.000 2.021 53 A CA 0.740 52.905 52.037 0.213 0.000 1.557 53 A CB 1.001 20.041 19.000 0.067 0.000 1.617 53 A HN 0.152 8.383 8.150 0.261 0.075 0.297 54 F N -0.696 119.317 119.950 0.104 0.000 2.399 54 F HA 0.170 4.765 4.527 0.113 0.000 0.282 54 F C 1.028 176.905 175.800 0.127 0.000 1.027 54 F CA 0.494 58.559 58.000 0.108 0.000 1.333 54 F CB 2.698 41.752 39.000 0.090 0.000 1.132 54 F HN 0.101 8.481 8.300 0.349 0.130 0.590 55 T N -1.769 112.895 114.554 0.185 0.000 2.699 55 T HA -0.331 3.963 4.350 -0.094 0.000 0.268 55 T C 0.354 175.155 174.700 0.168 0.000 1.036 55 T CA 3.102 65.245 62.100 0.072 0.000 1.147 55 T CB 0.149 69.076 68.868 0.099 0.000 0.862 55 T HN 0.257 8.533 8.240 0.231 0.103 0.446 56 M N -1.796 117.985 119.600 0.301 0.000 2.644 56 M HA -0.007 4.742 4.480 0.164 -0.171 0.316 56 M C -1.089 175.385 176.300 0.289 0.000 1.200 56 M CA -0.833 54.613 55.300 0.244 0.000 0.944 56 M CB 1.997 34.689 32.600 0.153 0.000 1.691 56 M HN -0.671 7.821 8.290 0.376 0.024 0.471 57 Y N -3.001 117.263 120.300 -0.060 0.000 3.721 57 Y HA -0.443 4.026 4.550 -0.270 -0.081 0.218 57 Y C -1.614 174.313 175.900 0.045 0.000 1.188 57 Y CA 1.973 60.003 58.100 -0.116 0.000 1.607 57 Y CB -2.305 36.075 38.460 -0.134 0.000 1.496 57 Y HN 0.411 8.618 8.280 0.098 0.132 0.626 58 L N -4.954 116.338 121.223 0.114 0.000 2.604 58 L HA -0.073 4.272 4.340 0.008 0.000 0.150 58 L C 0.575 177.464 176.870 0.033 0.000 1.292 58 L CA 0.731 55.597 54.840 0.044 0.000 0.977 58 L CB 1.189 43.245 42.059 -0.005 0.000 1.943 58 L HN -0.589 7.662 8.230 0.106 0.043 0.508 59 S N 0.229 115.961 115.700 0.054 0.000 2.344 59 S HA -0.227 4.272 4.470 0.048 0.000 0.217 59 S C 1.238 175.893 174.600 0.091 0.000 1.033 59 S CA 3.863 62.102 58.200 0.064 0.000 1.017 59 S CB 0.184 63.427 63.200 0.071 0.000 0.941 59 S HN 0.153 8.385 8.310 0.062 0.115 0.430 60 M N 2.771 122.438 119.600 0.112 0.000 3.742 60 M HA -0.040 4.563 4.480 0.205 0.000 0.197 60 M C -1.025 175.355 176.300 0.135 0.000 1.417 60 M CA -0.181 55.229 55.300 0.184 0.000 1.653 60 M CB -1.102 31.618 32.600 0.200 0.000 1.079 60 M HN -0.485 7.869 8.290 0.106 0.000 0.558 61 L N 2.290 123.556 121.223 0.072 0.000 2.600 61 L HA 0.257 4.539 4.340 -0.097 0.000 0.213 61 L C -1.166 175.849 176.870 0.242 0.000 1.045 61 L CA 1.244 56.083 54.840 -0.002 0.000 0.863 61 L CB 2.486 44.399 42.059 -0.244 0.000 1.189 61 L HN 0.287 8.427 8.230 0.094 0.146 0.484 62 L N -1.951 119.373 121.223 0.168 0.000 2.935 62 L HA 0.121 4.623 4.340 0.271 0.000 0.243 62 L C 0.477 177.428 176.870 0.136 0.000 1.313 62 L CA -0.054 54.899 54.840 0.188 0.000 0.969 62 L CB -0.720 41.420 42.059 0.135 0.000 1.320 62 L HN -0.424 7.865 8.230 0.099 0.000 0.511 63 G N 1.158 110.044 108.800 0.143 0.000 3.141 63 G HA2 -0.236 3.822 3.960 0.153 0.000 0.205 63 G HA3 -0.236 3.955 3.960 0.210 -0.104 0.205 63 G C -1.933 173.130 174.900 0.271 0.000 1.924 63 G CA 0.116 45.332 45.100 0.194 0.000 1.573 63 G HN -0.277 8.078 8.290 0.108 0.000 0.591 64 Y N 2.678 123.060 120.300 0.137 0.000 2.729 64 Y HA 0.261 4.977 4.550 0.119 -0.095 0.266 64 Y C -0.977 174.906 175.900 -0.030 0.000 1.064 64 Y CA -0.748 57.438 58.100 0.143 0.000 1.251 64 Y CB 3.335 41.951 38.460 0.260 0.000 1.379 64 Y HN 0.165 8.627 8.280 0.412 0.065 0.569 65 G N 0.693 109.514 108.800 0.036 0.000 2.563 65 G HA2 -0.177 2.790 3.960 -1.654 0.000 0.295 65 G HA3 -0.177 3.545 3.960 -0.396 0.000 0.295 65 G C -0.807 173.716 174.900 -0.629 0.000 0.874 65 G CA 1.217 45.941 45.100 -0.627 0.000 1.642 65 G HN -0.260 8.150 8.290 0.200 0.000 0.483 66 L N 3.650 124.392 121.223 -0.802 0.000 5.140 66 L HA -0.398 3.490 4.340 -0.753 0.000 0.053 66 L C -2.340 174.143 176.870 -0.647 0.000 3.657 66 L CA 1.803 56.227 54.840 -0.694 0.000 1.036 66 L CB -0.539 41.157 42.059 -0.604 0.000 3.292 66 L HN 0.068 7.709 8.230 -0.930 0.031 1.093 67 T N -1.700 112.501 114.554 -0.589 0.000 3.159 67 T HA 0.197 4.179 4.350 -0.614 0.000 0.343 67 T C -1.365 173.124 174.700 -0.352 0.000 1.364 67 T CA 0.213 61.920 62.100 -0.655 0.000 1.102 67 T CB 2.108 70.401 68.868 -0.958 0.000 1.263 67 T HN -0.324 7.632 8.240 -0.473 0.000 0.477 68 M N 4.854 124.349 119.600 -0.175 0.000 1.808 68 M HA 0.117 4.511 4.480 -0.143 0.000 0.178 68 M C 0.547 176.865 176.300 0.030 0.000 1.561 68 M CA 2.472 57.719 55.300 -0.090 0.000 0.862 68 M CB 0.855 33.412 32.600 -0.072 0.000 1.567 68 M HN 0.449 8.679 8.290 -0.100 0.000 0.599 69 V N 1.291 121.233 119.914 0.046 0.000 2.278 69 V HA -0.366 3.780 4.120 0.042 0.000 0.251 69 V C -0.959 175.178 176.094 0.072 0.000 1.062 69 V CA 6.001 68.334 62.300 0.054 0.000 1.038 69 V CB -3.039 28.806 31.823 0.037 0.000 0.646 69 V HN 0.238 8.450 8.190 0.036 0.000 0.447 70 P HA -0.244 4.267 4.420 0.009 -0.086 0.217 70 P C 0.531 177.856 177.300 0.042 0.000 1.151 70 P CA 2.549 65.688 63.100 0.066 0.000 0.849 70 P CB -0.197 31.562 31.700 0.097 0.000 0.787 71 F N -5.019 114.899 119.950 -0.055 0.000 2.661 71 F HA -0.074 4.424 4.527 -0.048 0.000 0.298 71 F C 1.395 177.170 175.800 -0.042 0.000 1.137 71 F CA 1.387 59.356 58.000 -0.052 0.000 1.454 71 F CB 0.110 39.071 39.000 -0.064 0.000 1.103 71 F HN -0.035 8.480 8.300 0.395 0.022 0.577 72 G N -2.637 106.230 108.800 0.112 0.000 2.556 72 G HA2 0.048 4.042 3.960 0.057 0.000 0.209 72 G HA3 0.048 4.037 3.960 0.049 0.000 0.209 72 G C -0.106 174.803 174.900 0.016 0.000 1.159 72 G CA 0.203 45.336 45.100 0.055 0.000 0.828 72 G HN 0.109 8.269 8.290 0.113 0.198 0.553 73 G N 0.366 109.169 108.800 0.005 0.000 3.858 73 G HA2 -0.111 3.836 3.960 -0.022 0.000 0.114 73 G HA3 -0.111 3.843 3.960 -0.010 0.000 0.114 73 G C -1.791 173.098 174.900 -0.018 0.000 1.120 73 G CA 0.654 45.747 45.100 -0.013 0.000 1.226 73 G HN 0.014 8.208 8.290 0.017 0.106 0.471 74 E N 2.451 122.641 120.200 -0.016 0.000 2.392 74 E HA 0.042 4.374 4.350 -0.029 0.000 0.264 74 E C -0.168 176.418 176.600 -0.024 0.000 1.024 74 E CA -1.061 55.324 56.400 -0.026 0.000 0.903 74 E CB 0.510 30.188 29.700 -0.035 0.000 0.963 74 E HN -0.137 8.216 8.360 -0.011 0.000 0.432 75 Q N 5.099 124.877 119.800 -0.037 0.000 2.837 75 Q HA -0.165 4.156 4.340 -0.031 0.000 0.235 75 Q C -0.996 174.973 176.000 -0.053 0.000 1.348 75 Q CA 0.881 56.658 55.803 -0.043 0.000 0.990 75 Q CB -1.555 27.151 28.738 -0.054 0.000 1.570 75 Q HN 0.474 8.719 8.270 -0.040 0.000 0.575 76 N N 0.660 119.354 118.700 -0.011 0.000 2.459 76 N HA -0.117 4.700 4.740 0.128 0.000 0.185 76 N C -2.895 172.637 175.510 0.037 0.000 1.661 76 N CA 2.160 55.225 53.050 0.025 0.000 3.302 76 N CB -1.096 37.336 38.487 -0.092 0.000 1.502 76 N HN 0.326 8.656 8.380 0.012 0.057 1.128 77 P HA 0.127 4.691 4.420 -0.123 -0.218 0.262 77 P C -0.840 176.443 177.300 -0.030 0.000 1.455 77 P CA 0.831 63.886 63.100 -0.075 0.000 1.217 77 P CB -0.954 30.680 31.700 -0.111 0.000 1.625 78 I N -2.619 117.950 120.570 -0.002 0.000 3.878 78 I HA 0.220 4.451 4.170 -0.013 -0.069 0.273 78 I C 0.443 176.369 176.117 -0.317 0.000 1.165 78 I CA 0.066 61.350 61.300 -0.027 0.000 1.360 78 I CB 1.770 39.805 38.000 0.058 0.000 1.539 78 I HN -0.308 7.905 8.210 0.006 0.000 0.447 79 Y N 0.231 120.265 120.300 -0.443 0.000 2.382 79 Y HA 0.278 4.067 4.550 -1.445 -0.106 0.292 79 Y C 0.271 175.823 175.900 -0.579 0.000 1.151 79 Y CA -0.443 57.207 58.100 -0.749 0.000 1.198 79 Y CB 0.212 38.454 38.460 -0.364 0.000 1.195 79 Y HN -0.828 7.491 8.280 0.065 0.000 0.530 80 W N 0.834 121.243 121.300 -1.486 0.000 2.812 80 W HA -0.093 4.050 4.660 -0.861 0.000 0.376 80 W C 0.237 176.270 176.519 -0.809 0.000 1.309 80 W CA 1.571 58.297 57.345 -1.032 0.000 1.479 80 W CB -1.742 27.110 29.460 -1.012 0.000 1.595 80 W HN -0.133 6.441 8.180 -2.677 0.000 0.508 81 A N 6.321 128.797 122.820 -0.574 0.000 1.997 81 A HA -0.421 3.805 4.320 -0.233 -0.046 0.221 81 A C 2.270 179.765 177.584 -0.150 0.000 1.172 81 A CA 3.006 54.885 52.037 -0.263 0.000 0.645 81 A CB -0.235 18.739 19.000 -0.044 0.000 0.813 81 A HN 0.223 7.956 8.150 -0.702 -0.004 0.454 82 R N -3.493 116.910 120.500 -0.162 0.000 2.346 82 R HA -0.094 4.012 4.340 -0.390 0.000 0.225 82 R C -0.212 176.019 176.300 -0.115 0.000 0.987 82 R CA -0.243 55.659 56.100 -0.329 0.000 1.106 82 R CB -1.580 28.263 30.300 -0.762 0.000 1.090 82 R HN 0.427 8.667 8.270 -0.050 0.000 0.502 83 Y N -0.515 119.679 120.300 -0.177 0.000 2.465 83 Y HA -0.149 4.359 4.550 -0.070 0.000 0.311 83 Y C -1.442 174.297 175.900 -0.269 0.000 1.204 83 Y CA 1.206 59.227 58.100 -0.131 0.000 1.272 83 Y CB -0.219 38.188 38.460 -0.089 0.000 1.083 83 Y HN -0.536 7.659 8.280 0.107 0.149 0.508 84 A N -3.114 119.518 122.820 -0.314 0.000 3.318 84 A HA 0.102 3.464 4.320 -1.595 0.000 0.209 84 A C -2.441 174.906 177.584 -0.396 0.000 1.102 84 A CA -0.103 51.329 52.037 -1.008 0.000 1.128 84 A CB 1.027 19.267 19.000 -1.266 0.000 1.310 84 A HN -0.644 7.271 8.150 -0.181 0.126 0.726 85 D N -2.189 118.148 120.400 -0.106 0.000 1.847 85 D HA 0.121 4.834 4.640 0.166 0.027 0.433 85 D C -1.397 175.018 176.300 0.192 0.000 1.046 85 D CA 1.152 55.185 54.000 0.054 0.000 1.009 85 D CB 2.309 43.101 40.800 -0.014 0.000 1.834 85 D HN -0.258 8.060 8.370 -0.087 0.000 0.542 86 W N 0.242 121.418 121.300 -0.208 0.000 1.788 86 W HA 0.297 4.878 4.660 -0.132 0.000 0.318 86 W C -1.119 175.334 176.519 -0.110 0.000 0.785 86 W CA -0.904 56.311 57.345 -0.218 0.000 2.625 86 W CB -0.203 28.972 29.460 -0.474 0.000 2.210 86 W HN 0.228 8.234 8.180 -0.102 0.114 0.591 87 L N -6.951 114.386 121.223 0.191 0.000 2.758 87 L HA 0.359 4.760 4.340 0.101 0.000 0.234 87 L C -1.447 175.522 176.870 0.165 0.000 1.049 87 L CA -0.443 54.483 54.840 0.142 0.000 0.908 87 L CB 2.077 44.144 42.059 0.013 0.000 1.362 87 L HN -0.618 7.771 8.230 0.265 0.000 0.499 88 F N -1.360 118.593 119.950 0.005 0.000 2.305 88 F HA -0.241 4.297 4.527 0.018 0.000 0.450 88 F C -1.881 173.955 175.800 0.059 0.000 1.197 88 F CA -0.874 57.137 58.000 0.018 0.000 1.457 88 F CB -1.542 37.451 39.000 -0.012 0.000 2.232 88 F HN -0.317 8.128 8.300 0.089 -0.092 0.758 89 T N 1.995 116.765 114.554 0.360 0.000 3.401 89 T HA 0.209 4.718 4.350 0.109 -0.094 0.225 89 T C 1.381 176.150 174.700 0.116 0.000 0.961 89 T CA 1.145 63.361 62.100 0.193 0.000 1.429 89 T CB 1.544 70.504 68.868 0.154 0.000 1.213 89 T HN 0.241 8.605 8.240 0.325 0.071 0.440 90 T N -1.057 113.584 114.554 0.146 0.000 13.275 90 T HA -0.385 4.187 4.350 0.293 -0.046 0.419 90 T C -2.750 172.061 174.700 0.184 0.000 1.444 90 T CA 4.691 66.927 62.100 0.227 0.000 2.363 90 T CB -3.189 65.835 68.868 0.260 0.000 2.804 90 T HN -0.102 8.162 8.240 0.113 0.044 0.610 91 P HA 0.362 4.908 4.420 0.069 -0.085 0.291 91 P C -0.665 176.660 177.300 0.042 0.000 1.388 91 P CA -0.042 63.107 63.100 0.082 0.000 1.061 91 P CB 0.511 32.257 31.700 0.076 0.000 1.534 92 L N -1.123 120.119 121.223 0.031 0.000 2.376 92 L HA -0.080 4.309 4.340 -0.036 -0.071 0.219 92 L C -0.532 176.321 176.870 -0.028 0.000 1.133 92 L CA 1.534 56.357 54.840 -0.029 0.000 0.816 92 L CB 0.419 42.422 42.059 -0.095 0.000 0.933 92 L HN 0.151 8.320 8.230 0.062 0.098 0.449 93 L N -2.605 118.624 121.223 0.009 0.000 2.568 93 L HA 0.244 4.495 4.340 -0.005 0.086 0.262 93 L C -1.784 175.118 176.870 0.053 0.000 0.980 93 L CA -0.004 54.844 54.840 0.014 0.000 0.882 93 L CB 1.590 43.656 42.059 0.011 0.000 1.198 93 L HN -0.338 7.875 8.230 0.040 0.040 0.425 94 L N 5.202 126.445 121.223 0.033 0.000 2.590 94 L HA 0.160 4.518 4.340 0.022 -0.005 0.227 94 L C -1.455 175.376 176.870 -0.064 0.000 1.099 94 L CA 1.172 56.006 54.840 -0.009 0.000 0.872 94 L CB 1.196 43.240 42.059 -0.025 0.000 1.088 94 L HN 0.639 8.806 8.230 0.017 0.073 0.479 95 L N -4.264 116.947 121.223 -0.019 0.000 1.465 95 L HA 0.022 4.360 4.340 -0.003 0.000 0.144 95 L C -0.889 175.991 176.870 0.017 0.000 1.333 95 L CA 0.791 55.629 54.840 -0.003 0.000 1.203 95 L CB 0.976 43.034 42.059 -0.003 0.000 2.504 95 L HN -0.652 7.521 8.230 -0.005 0.054 0.485 96 D N -3.592 116.804 120.400 -0.006 0.000 5.365 96 D HA -0.339 4.278 4.640 -0.039 0.000 0.155 96 D C -0.843 175.455 176.300 -0.003 0.000 1.460 96 D CA 0.897 54.888 54.000 -0.016 0.000 1.169 96 D CB -0.704 40.089 40.800 -0.012 0.000 0.774 96 D HN -0.297 8.058 8.370 -0.025 0.000 0.436 97 L N -2.613 118.609 121.223 -0.001 0.000 2.806 97 L HA 0.216 4.561 4.340 0.009 0.000 0.242 97 L C -0.680 176.185 176.870 -0.009 0.000 1.068 97 L CA 0.419 55.262 54.840 0.005 0.000 0.923 97 L CB 1.318 43.389 42.059 0.020 0.000 1.364 97 L HN 0.059 8.281 8.230 -0.014 0.000 0.511 98 A N -2.328 120.478 122.820 -0.024 0.000 3.219 98 A HA 0.206 4.503 4.320 -0.038 0.000 0.314 98 A C -0.298 177.242 177.584 -0.073 0.000 1.081 98 A CA -0.106 51.905 52.037 -0.043 0.000 0.995 98 A CB -0.336 18.640 19.000 -0.040 0.000 1.067 98 A HN -0.034 8.000 8.150 -0.018 0.105 0.533 99 L N -4.691 116.478 121.223 -0.091 0.000 2.701 99 L HA 0.177 4.438 4.340 -0.132 0.000 0.238 99 L C -1.271 175.531 176.870 -0.114 0.000 1.106 99 L CA 0.061 54.817 54.840 -0.139 0.000 0.898 99 L CB 0.700 42.616 42.059 -0.238 0.000 1.188 99 L HN -0.344 7.843 8.230 -0.072 0.000 0.508 100 L N -1.305 119.881 121.223 -0.062 0.000 2.567 100 L HA 0.159 4.550 4.340 -0.017 -0.062 0.294 100 L C -0.658 176.214 176.870 0.002 0.000 1.365 100 L CA 0.212 55.040 54.840 -0.020 0.000 0.669 100 L CB 1.549 43.611 42.059 0.005 0.000 0.989 100 L HN -0.830 7.370 8.230 -0.050 0.000 0.519 101 V N 2.349 122.262 119.914 -0.002 0.000 5.364 101 V HA -0.525 3.597 4.120 0.003 0.000 0.156 101 V C -0.835 175.252 176.094 -0.012 0.000 0.781 101 V CA 1.595 63.891 62.300 -0.007 0.000 0.612 101 V CB -2.024 29.790 31.823 -0.015 0.000 0.269 101 V HN -0.134 8.059 8.190 0.006 0.000 0.320 102 D N 3.596 123.998 120.400 0.003 0.000 2.398 102 D HA -0.075 4.562 4.640 -0.005 0.000 0.264 102 D C 0.880 177.182 176.300 0.002 0.000 1.263 102 D CA 0.262 54.264 54.000 0.004 0.000 1.037 102 D CB 2.360 43.172 40.800 0.020 0.000 1.101 102 D HN -0.577 7.795 8.370 0.012 0.006 0.551 103 A N -1.266 121.556 122.820 0.003 0.000 1.935 103 A HA -0.087 4.234 4.320 0.002 0.000 0.214 103 A C 1.173 178.762 177.584 0.009 0.000 1.178 103 A CA 2.105 54.144 52.037 0.004 0.000 0.640 103 A CB 0.282 19.283 19.000 0.002 0.000 0.825 103 A HN 0.252 8.405 8.150 0.005 0.000 0.447 104 D N -1.114 119.293 120.400 0.012 0.000 2.934 104 D HA 0.056 4.703 4.640 0.012 0.000 0.237 104 D C -0.106 176.205 176.300 0.018 0.000 1.158 104 D CA -0.980 53.028 54.000 0.014 0.000 0.971 104 D CB -1.108 39.701 40.800 0.014 0.000 1.123 104 D HN -0.130 8.699 8.370 0.013 -0.451 0.467 105 Q N -2.242 117.569 119.800 0.018 0.000 2.222 105 Q HA -0.354 3.998 4.340 0.019 0.000 0.207 105 Q C -0.474 175.542 176.000 0.026 0.000 0.743 105 Q CA 1.444 57.259 55.803 0.020 0.000 1.425 105 Q CB -2.215 26.532 28.738 0.016 0.000 1.853 105 Q HN 0.395 8.573 8.270 0.015 0.101 0.628 106 G N -1.234 107.585 108.800 0.032 0.000 2.824 106 G HA2 0.099 4.086 3.960 0.045 0.000 0.288 106 G HA3 0.099 4.086 3.960 0.044 0.000 0.288 106 G C -1.635 173.294 174.900 0.049 0.000 1.554 106 G CA 0.320 45.446 45.100 0.043 0.000 1.107 106 G HN -0.273 7.934 8.290 0.029 0.100 0.566 107 T N 5.743 120.328 114.554 0.052 0.000 2.596 107 T HA -0.224 4.158 4.350 0.054 0.000 0.129 107 T C -1.287 173.438 174.700 0.041 0.000 2.773 107 T CA 0.979 63.108 62.100 0.047 0.000 1.017 107 T CB -1.080 67.812 68.868 0.040 0.000 2.578 107 T HN -0.226 8.046 8.240 0.054 0.000 0.241 108 I N -0.754 119.834 120.570 0.030 0.000 4.909 108 I HA -0.411 3.770 4.170 0.018 0.000 0.038 108 I C -0.895 175.239 176.117 0.027 0.000 0.635 108 I CA 2.777 64.092 61.300 0.025 0.000 0.199 108 I CB -0.800 37.215 38.000 0.025 0.000 0.317 108 I HN -0.082 8.144 8.210 0.026 0.000 0.150 109 L N -0.032 121.209 121.223 0.029 0.000 2.693 109 L HA 0.253 4.669 4.340 0.029 -0.058 0.235 109 L C 0.109 177.003 176.870 0.040 0.000 1.127 109 L CA 0.847 55.705 54.840 0.031 0.000 0.914 109 L CB 0.220 42.294 42.059 0.025 0.000 1.193 109 L HN 0.108 8.356 8.230 0.028 0.000 0.502 110 A N 0.276 123.123 122.820 0.045 0.000 1.902 110 A HA -0.268 4.087 4.320 0.059 0.000 0.217 110 A C 1.917 179.539 177.584 0.062 0.000 1.181 110 A CA 3.037 55.108 52.037 0.057 0.000 0.623 110 A CB -0.545 18.491 19.000 0.061 0.000 0.818 110 A HN -0.339 7.785 8.150 0.042 0.051 0.443 111 L N -4.355 116.900 121.223 0.054 0.000 2.357 111 L HA -0.081 4.295 4.340 0.059 0.000 0.211 111 L C 1.768 178.663 176.870 0.042 0.000 1.075 111 L CA 1.499 56.369 54.840 0.051 0.000 0.830 111 L CB 0.573 42.660 42.059 0.047 0.000 0.996 111 L HN -0.542 7.634 8.230 0.049 0.083 0.467 112 V N 0.192 120.127 119.914 0.034 0.000 2.720 112 V HA -0.463 3.673 4.120 0.027 0.000 0.256 112 V C 1.188 177.305 176.094 0.038 0.000 1.082 112 V CA 4.461 66.778 62.300 0.029 0.000 1.101 112 V CB -0.198 31.636 31.823 0.018 0.000 0.693 112 V HN 0.526 8.611 8.190 0.032 0.124 0.479 113 G N -1.539 107.289 108.800 0.047 0.000 2.505 113 G HA2 -0.412 3.582 3.960 0.058 0.000 0.220 113 G HA3 -0.412 3.713 3.960 0.067 -0.125 0.220 113 G C 0.484 175.430 174.900 0.077 0.000 1.145 113 G CA 2.509 47.647 45.100 0.062 0.000 0.761 113 G HN 0.369 8.545 8.290 0.046 0.141 0.571 114 A N 0.464 123.329 122.820 0.076 0.000 1.929 114 A HA -0.117 4.270 4.320 0.111 0.000 0.216 114 A C 0.599 178.233 177.584 0.083 0.000 1.176 114 A CA 1.927 54.017 52.037 0.088 0.000 0.628 114 A CB -0.165 18.879 19.000 0.072 0.000 0.816 114 A HN -0.585 7.447 8.150 0.065 0.158 0.444 115 D N -1.011 119.423 120.400 0.057 0.000 2.101 115 D HA -0.238 4.434 4.640 0.052 0.000 0.286 115 D C 2.052 178.374 176.300 0.035 0.000 1.145 115 D CA 1.818 55.845 54.000 0.044 0.000 0.883 115 D CB 0.955 41.772 40.800 0.028 0.000 0.935 115 D HN -0.241 7.982 8.370 0.049 0.177 0.313 116 G N 0.375 109.185 108.800 0.018 0.000 2.507 116 G HA2 -0.310 3.651 3.960 0.002 0.000 0.221 116 G HA3 -0.310 3.651 3.960 0.002 0.000 0.221 116 G C 1.797 176.700 174.900 0.005 0.000 1.119 116 G CA 2.054 47.158 45.100 0.007 0.000 0.751 116 G HN 0.308 8.606 8.290 0.013 0.000 0.574 117 I N 2.834 123.414 120.570 0.017 0.000 2.209 117 I HA -0.382 3.776 4.170 -0.021 0.000 0.220 117 I C 0.837 176.981 176.117 0.045 0.000 1.056 117 I CA 3.227 64.537 61.300 0.016 0.000 1.354 117 I CB 0.651 38.672 38.000 0.035 0.000 1.145 117 I HN -0.141 8.060 8.210 0.027 0.025 0.396 118 M N -3.757 115.903 119.600 0.101 0.000 2.723 118 M HA 0.228 4.817 4.480 0.182 0.000 0.270 118 M C -0.464 175.979 176.300 0.239 0.000 1.282 118 M CA 0.445 55.855 55.300 0.184 0.000 0.995 118 M CB -1.240 31.492 32.600 0.220 0.000 1.430 118 M HN 0.059 8.294 8.290 0.099 0.115 0.477 119 I N -1.316 119.329 120.570 0.125 0.000 4.530 119 I HA 0.074 4.209 4.170 -0.057 0.000 0.318 119 I C 2.066 178.171 176.117 -0.020 0.000 1.257 119 I CA 0.874 62.184 61.300 0.018 0.000 1.301 119 I CB 1.677 39.684 38.000 0.012 0.000 1.297 119 I HN 0.490 8.591 8.210 0.087 0.161 0.451 120 G N 2.601 111.412 108.800 0.019 0.000 2.586 120 G HA2 -0.358 3.621 3.960 0.031 0.000 0.218 120 G HA3 -0.358 3.776 3.960 0.018 -0.163 0.218 120 G C 0.580 175.498 174.900 0.029 0.000 1.216 120 G CA 2.936 48.050 45.100 0.023 0.000 0.786 120 G HN 0.508 8.694 8.290 0.031 0.122 0.583 121 T N 3.078 117.645 114.554 0.021 0.000 3.139 121 T HA -0.103 4.416 4.350 -0.016 -0.178 0.267 121 T C 0.690 175.517 174.700 0.213 0.000 1.164 121 T CA 2.903 65.021 62.100 0.029 0.000 1.075 121 T CB -0.535 68.267 68.868 -0.111 0.000 0.904 121 T HN 0.257 8.398 8.240 0.015 0.108 0.540 122 G N -1.478 107.386 108.800 0.107 0.000 3.088 122 G HA2 0.116 4.280 3.960 0.340 0.000 0.217 122 G HA3 0.116 3.715 3.960 -0.609 -0.004 0.217 122 G C -0.037 174.639 174.900 -0.372 0.000 1.159 122 G CA -0.113 44.891 45.100 -0.160 0.000 0.760 122 G HN -0.366 7.748 8.290 0.025 0.191 0.550 123 L N -4.900 116.274 121.223 -0.082 0.000 2.678 123 L HA 0.392 4.757 4.340 0.042 0.000 0.211 123 L C -0.146 176.690 176.870 -0.056 0.000 1.043 123 L CA 0.858 55.698 54.840 -0.000 0.000 0.881 123 L CB 1.571 43.667 42.059 0.062 0.000 1.361 123 L HN -0.314 7.733 8.230 -0.017 0.173 0.484 124 V N 1.663 121.592 119.914 0.025 0.000 1.959 124 V HA -0.193 3.895 4.120 -0.052 0.000 0.242 124 V C -0.868 175.354 176.094 0.213 0.000 1.613 124 V CA 2.110 64.479 62.300 0.115 0.000 1.566 124 V CB -2.674 29.273 31.823 0.206 0.000 1.547 124 V HN 0.314 8.539 8.190 0.057 0.000 0.503 125 G N 2.620 111.384 108.800 -0.060 0.000 3.897 125 G HA2 -0.056 4.301 3.960 0.564 0.000 0.207 125 G HA3 -0.056 4.061 3.960 0.253 -0.005 0.207 125 G C -1.047 173.917 174.900 0.106 0.000 0.872 125 G CA 1.213 46.454 45.100 0.236 0.000 0.872 125 G HN 0.009 8.056 8.290 -0.350 0.033 0.442 126 A N 1.470 124.165 122.820 -0.209 0.000 2.252 126 A HA 0.568 4.967 4.320 -0.171 -0.182 0.213 126 A C -1.792 175.583 177.584 -0.349 0.000 1.188 126 A CA -0.339 51.486 52.037 -0.354 0.000 0.863 126 A CB 2.124 20.581 19.000 -0.905 0.000 0.893 126 A HN 0.182 8.045 8.150 -0.288 0.114 0.495 127 L N -7.506 113.440 121.223 -0.461 0.000 2.341 127 L HA 0.455 4.622 4.340 -0.289 0.000 0.267 127 L C -1.740 174.573 176.870 -0.929 0.000 1.009 127 L CA -2.124 52.425 54.840 -0.486 0.000 0.819 127 L CB 2.653 44.461 42.059 -0.420 0.000 1.323 127 L HN -0.985 6.844 8.230 -0.582 0.052 0.425 128 T N -3.173 111.148 114.554 -0.388 0.000 2.930 128 T HA -0.011 4.332 4.350 -0.013 0.000 0.306 128 T C 1.236 175.913 174.700 -0.039 0.000 1.045 128 T CA 0.146 62.253 62.100 0.012 0.000 1.134 128 T CB 0.487 69.546 68.868 0.319 0.000 0.961 128 T HN 0.208 8.503 8.240 -0.007 -0.059 0.545 129 K N 6.197 126.580 120.400 -0.029 0.000 3.100 129 K HA 0.075 4.360 4.320 -0.058 0.000 0.256 129 K C -0.630 175.969 176.600 -0.002 0.000 1.146 129 K CA -0.621 55.642 56.287 -0.039 0.000 1.233 129 K CB -2.172 30.292 32.500 -0.061 0.000 1.226 129 K HN 0.710 8.950 8.250 -0.017 0.000 0.442 130 V N -2.001 117.934 119.914 0.035 0.000 3.837 130 V HA 0.124 4.264 4.120 0.032 0.000 0.182 130 V C -0.664 175.470 176.094 0.066 0.000 1.356 130 V CA 1.916 64.251 62.300 0.058 0.000 1.260 130 V CB 1.856 33.722 31.823 0.073 0.000 1.287 130 V HN -0.137 7.964 8.190 0.036 0.110 0.572 131 Y N 0.171 120.393 120.300 -0.129 0.000 2.382 131 Y HA 0.022 4.513 4.550 -0.099 0.000 0.263 131 Y C 0.085 175.831 175.900 -0.256 0.000 1.103 131 Y CA 0.221 58.223 58.100 -0.163 0.000 1.223 131 Y CB 0.413 38.788 38.460 -0.141 0.000 1.124 131 Y HN -0.219 8.008 8.280 -0.089 0.000 0.501 132 S N -1.346 113.786 115.700 -0.947 0.000 2.962 132 S HA -0.264 1.733 4.470 -4.122 0.000 0.632 132 S C 0.290 174.324 174.600 -0.943 0.000 3.058 132 S CA 1.204 58.223 58.200 -1.969 0.000 3.371 132 S CB -0.352 61.538 63.200 -2.183 0.000 0.324 132 S HN -0.311 7.548 8.310 -0.751 0.000 1.722 133 Y N 0.884 120.813 120.300 -0.617 0.000 2.740 133 Y HA 0.176 4.008 4.550 -1.198 0.000 0.356 133 Y C -1.244 174.772 175.900 0.194 0.000 1.101 133 Y CA -1.366 56.502 58.100 -0.387 0.000 1.477 133 Y CB -0.946 37.528 38.460 0.024 0.000 1.296 133 Y HN -0.060 8.130 8.280 -0.109 0.024 0.507 134 R N 0.369 121.018 120.500 0.248 0.000 2.146 134 R HA -0.150 4.126 4.340 0.071 0.107 0.206 134 R C -0.647 175.882 176.300 0.381 0.000 1.049 134 R CA 1.756 57.997 56.100 0.235 0.000 1.029 134 R CB 1.920 32.280 30.300 0.100 0.000 0.949 134 R HN -0.075 7.957 8.270 -0.170 0.136 0.471 135 F N -5.622 114.423 119.950 0.158 0.000 2.189 135 F HA -0.157 4.416 4.527 0.078 0.000 0.318 135 F C -2.753 173.129 175.800 0.136 0.000 0.873 135 F CA -1.565 56.497 58.000 0.105 0.000 0.911 135 F CB -1.059 37.965 39.000 0.042 0.000 4.127 135 F HN -0.757 7.772 8.300 0.382 0.000 0.140 136 V N -2.018 117.132 119.914 -1.274 0.000 2.031 136 V HA -0.066 3.779 4.120 -0.513 -0.033 0.269 136 V C -1.502 173.819 176.094 -1.288 0.000 1.799 136 V CA 0.914 62.512 62.300 -1.170 0.000 1.717 136 V CB -2.176 29.118 31.823 -0.882 0.000 1.518 136 V HN 0.016 7.319 8.190 -1.479 0.000 0.499 137 W N 2.539 123.637 121.300 -0.336 0.000 3.412 137 W HA 0.123 4.827 4.660 0.074 0.000 0.236 137 W C 0.908 177.594 176.519 0.279 0.000 1.030 137 W CA 1.147 58.594 57.345 0.170 0.000 1.850 137 W CB 2.244 31.997 29.460 0.487 0.000 0.979 137 W HN 0.360 8.476 8.180 0.073 0.108 0.716 138 W N 1.209 122.730 121.300 0.368 0.000 2.358 138 W HA -0.362 4.461 4.660 0.272 0.000 0.303 138 W C 0.794 177.410 176.519 0.161 0.000 1.208 138 W CA 2.047 59.551 57.345 0.265 0.000 1.274 138 W CB 0.765 30.399 29.460 0.290 0.000 1.138 138 W HN -0.222 8.416 8.180 0.763 0.000 0.515 139 A N -3.479 119.375 122.820 0.057 0.000 2.206 139 A HA -0.128 4.037 4.320 -0.258 0.000 0.211 139 A C 0.705 178.203 177.584 -0.142 0.000 1.158 139 A CA 1.943 53.888 52.037 -0.153 0.000 0.761 139 A CB -0.956 17.947 19.000 -0.162 0.000 0.801 139 A HN 0.247 8.370 8.150 0.144 0.113 0.473 140 I N -3.164 117.367 120.570 -0.065 0.000 2.584 140 I HA -0.239 3.869 4.170 -0.103 0.000 0.255 140 I C 1.929 178.095 176.117 0.081 0.000 1.145 140 I CA 2.014 63.303 61.300 -0.019 0.000 1.462 140 I CB 0.312 38.315 38.000 0.005 0.000 1.102 140 I HN 0.005 8.104 8.210 0.045 0.138 0.433 141 S N 1.899 117.718 115.700 0.198 0.000 2.359 141 S HA -0.290 4.308 4.470 0.213 0.000 0.224 141 S C 0.876 175.481 174.600 0.008 0.000 1.035 141 S CA 3.890 62.217 58.200 0.211 0.000 1.018 141 S CB -0.408 63.095 63.200 0.506 0.000 0.876 141 S HN 0.502 8.778 8.310 0.289 0.207 0.448 142 T N 1.142 115.604 114.554 -0.154 0.000 3.332 142 T HA -0.037 4.292 4.350 -0.164 -0.077 0.246 142 T C -0.681 173.911 174.700 -0.179 0.000 0.943 142 T CA -1.109 60.869 62.100 -0.202 0.000 0.922 142 T CB -1.692 66.999 68.868 -0.295 0.000 1.086 142 T HN -0.117 7.903 8.240 -0.194 0.104 0.590 143 A N -0.494 122.226 122.820 -0.166 0.000 2.431 143 A HA 0.257 4.413 4.320 -0.274 0.000 0.239 143 A C -0.740 176.617 177.584 -0.378 0.000 1.230 143 A CA 0.146 52.037 52.037 -0.244 0.000 0.928 143 A CB 0.538 19.433 19.000 -0.176 0.000 1.006 143 A HN 0.194 8.034 8.150 -0.109 0.245 0.520 144 A N -2.016 120.671 122.820 -0.221 0.000 2.141 144 A HA 0.352 4.505 4.320 -0.278 0.000 0.201 144 A C -0.685 176.864 177.584 -0.058 0.000 1.344 144 A CA 0.716 52.669 52.037 -0.141 0.000 0.971 144 A CB 1.401 20.428 19.000 0.045 0.000 1.035 144 A HN 0.154 8.030 8.150 -0.126 0.199 0.480 145 M N 0.813 120.380 119.600 -0.055 0.000 3.484 145 M HA -0.022 4.472 4.480 0.024 0.000 0.196 145 M C -1.333 174.959 176.300 -0.013 0.000 1.359 145 M CA 0.308 55.595 55.300 -0.020 0.000 1.510 145 M CB -2.147 30.420 32.600 -0.055 0.000 1.284 145 M HN 0.128 8.263 8.290 -0.081 0.106 0.463 146 L N -4.556 116.692 121.223 0.043 0.000 1.589 146 L HA 0.130 4.589 4.340 0.198 0.000 0.161 146 L C 1.027 178.119 176.870 0.370 0.000 1.300 146 L CA 1.699 56.628 54.840 0.148 0.000 1.196 146 L CB -0.162 41.907 42.059 0.016 0.000 2.497 146 L HN 0.184 8.335 8.230 0.050 0.110 0.492 147 Y N -0.237 120.165 120.300 0.171 0.000 2.109 147 Y HA -0.223 4.419 4.550 0.153 0.000 0.285 147 Y C 1.911 177.911 175.900 0.168 0.000 1.131 147 Y CA 1.569 59.757 58.100 0.146 0.000 1.121 147 Y CB -0.530 37.975 38.460 0.075 0.000 0.987 147 Y HN -0.986 7.173 8.280 -0.072 0.078 0.495 148 I N -3.591 117.156 120.570 0.295 0.000 2.286 148 I HA -0.308 3.985 4.170 0.205 0.000 0.248 148 I C 2.467 178.704 176.117 0.199 0.000 1.115 148 I CA 1.965 63.390 61.300 0.208 0.000 1.392 148 I CB -0.419 37.671 38.000 0.149 0.000 1.065 148 I HN 0.325 8.594 8.210 0.264 0.100 0.418 149 L N 1.136 122.465 121.223 0.176 0.000 2.042 149 L HA -0.367 4.029 4.340 0.094 0.000 0.210 149 L C 0.864 177.894 176.870 0.266 0.000 1.076 149 L CA 3.282 58.207 54.840 0.143 0.000 0.749 149 L CB 0.132 42.218 42.059 0.044 0.000 0.893 149 L HN -0.568 7.791 8.230 0.165 -0.031 0.432 150 Y N -5.599 114.875 120.300 0.290 0.000 2.550 150 Y HA -0.156 4.610 4.550 0.315 -0.027 0.351 150 Y C 0.329 176.384 175.900 0.257 0.000 1.160 150 Y CA 1.381 59.635 58.100 0.256 0.000 1.337 150 Y CB -1.312 37.221 38.460 0.122 0.000 1.196 150 Y HN -0.056 8.323 8.280 0.494 0.197 0.498 151 V N -0.822 119.325 119.914 0.390 0.000 2.922 151 V HA -0.096 4.341 4.120 0.528 0.000 0.242 151 V C 0.151 176.478 176.094 0.387 0.000 1.094 151 V CA 1.819 64.362 62.300 0.405 0.000 1.106 151 V CB 1.044 33.019 31.823 0.252 0.000 0.799 151 V HN 0.117 8.273 8.190 0.333 0.233 0.474 152 L N -1.524 119.869 121.223 0.283 0.000 2.607 152 L HA 0.054 4.489 4.340 0.158 0.000 0.228 152 L C -0.089 176.973 176.870 0.319 0.000 1.123 152 L CA 1.553 56.524 54.840 0.218 0.000 0.890 152 L CB 0.184 42.337 42.059 0.156 0.000 1.103 152 L HN -0.442 7.855 8.230 0.269 0.094 0.468 153 F N -1.492 118.548 119.950 0.150 0.000 2.871 153 F HA 0.146 4.935 4.527 0.342 -0.058 0.344 153 F C -0.713 175.265 175.800 0.296 0.000 1.078 153 F CA -1.836 56.247 58.000 0.139 0.000 1.149 153 F CB 1.470 40.312 39.000 -0.265 0.000 1.087 153 F HN -0.089 8.333 8.300 0.422 0.130 0.557 154 F N 2.466 122.575 119.950 0.266 0.000 2.094 154 F HA -0.086 4.494 4.527 0.088 0.000 0.291 154 F C -0.129 175.669 175.800 -0.003 0.000 1.109 154 F CA 1.735 59.805 58.000 0.116 0.000 1.221 154 F CB 0.465 39.520 39.000 0.091 0.000 1.014 154 F HN -0.285 8.158 8.300 0.504 0.159 0.473 155 G N -2.505 106.013 108.800 -0.470 0.000 2.527 155 G HA2 -0.235 3.389 3.960 -0.719 0.000 0.279 155 G HA3 -0.235 3.648 3.960 -0.232 -0.062 0.279 155 G C 0.597 175.179 174.900 -0.530 0.000 1.374 155 G CA -0.128 44.683 45.100 -0.482 0.000 1.053 155 G HN -0.230 7.988 8.290 0.097 0.131 0.539 156 F N 1.510 120.799 119.950 -1.103 0.000 2.733 156 F HA -0.007 4.140 4.527 -0.634 0.000 0.301 156 F C -0.118 175.076 175.800 -1.010 0.000 1.240 156 F CA -1.889 55.496 58.000 -1.025 0.000 1.432 156 F CB -0.853 37.671 39.000 -0.793 0.000 1.089 156 F HN -0.047 6.943 8.300 -2.183 0.000 0.533 157 T N 6.661 120.416 114.554 -1.332 0.000 3.928 157 T HA -0.153 3.694 4.350 -0.838 0.000 0.247 157 T C -1.105 173.184 174.700 -0.684 0.000 0.955 157 T CA 1.335 62.965 62.100 -0.783 0.000 0.935 157 T CB -1.545 67.129 68.868 -0.322 0.000 1.180 157 T HN -0.312 7.239 8.240 -1.006 0.085 0.660 158 S N -0.422 114.840 115.700 -0.730 0.000 2.619 158 S HA -0.039 4.188 4.470 -0.406 0.000 0.179 158 S C -0.980 173.480 174.600 -0.234 0.000 0.810 158 S CA 0.360 58.223 58.200 -0.562 0.000 0.898 158 S CB 1.033 63.542 63.200 -1.151 0.000 1.650 158 S HN -0.315 7.328 8.310 -0.914 0.119 0.554 159 K N 4.312 124.771 120.400 0.098 0.000 2.199 159 K HA -0.026 4.345 4.320 0.084 0.000 0.226 159 K C -0.093 176.526 176.600 0.033 0.000 1.237 159 K CA -1.729 54.654 56.287 0.160 0.000 1.170 159 K CB -2.038 30.550 32.500 0.148 0.000 1.418 159 K HN 0.163 8.461 8.250 0.080 0.000 0.255 160 A N 3.643 126.453 122.820 -0.017 0.000 2.604 160 A HA 0.033 4.346 4.320 -0.012 0.000 0.248 160 A C -1.002 176.583 177.584 0.001 0.000 1.466 160 A CA 0.269 52.301 52.037 -0.009 0.000 1.222 160 A CB -1.230 17.770 19.000 -0.000 0.000 0.945 160 A HN 0.212 8.289 8.150 -0.040 0.049 0.600 161 E N -4.765 115.429 120.200 -0.010 0.000 3.733 161 E HA 0.087 4.427 4.350 -0.015 0.000 0.172 161 E C -1.425 175.141 176.600 -0.057 0.000 1.032 161 E CA -0.064 56.324 56.400 -0.020 0.000 1.532 161 E CB -0.132 29.568 29.700 -0.001 0.000 1.149 161 E HN -0.014 8.228 8.360 -0.011 0.111 0.373 162 S N -0.378 115.283 115.700 -0.065 0.000 2.761 162 S HA 0.164 4.567 4.470 -0.112 0.000 0.290 162 S C -1.812 172.748 174.600 -0.067 0.000 1.222 162 S CA 0.218 58.357 58.200 -0.101 0.000 0.954 162 S CB 1.277 64.379 63.200 -0.162 0.000 1.281 162 S HN -0.261 8.024 8.310 -0.042 0.000 0.527 163 M N 1.950 121.506 119.600 -0.073 0.000 3.200 163 M HA 0.231 4.692 4.480 -0.033 0.000 0.335 163 M C -1.386 174.889 176.300 -0.042 0.000 1.446 163 M CA 0.024 55.296 55.300 -0.047 0.000 0.691 163 M CB -0.285 32.288 32.600 -0.044 0.000 1.409 163 M HN 0.113 8.341 8.290 -0.103 0.000 0.488 164 R N 0.944 121.423 120.500 -0.035 0.000 2.522 164 R HA 0.390 4.723 4.340 -0.011 0.000 0.273 164 R C -2.481 173.850 176.300 0.051 0.000 1.133 164 R CA -1.421 54.666 56.100 -0.022 0.000 0.969 164 R CB 2.878 33.131 30.300 -0.079 0.000 1.235 164 R HN -0.188 8.063 8.270 -0.033 0.000 0.433 165 P HA 0.129 4.758 4.420 0.349 0.000 0.266 165 P C -0.390 177.026 177.300 0.194 0.000 1.419 165 P CA -0.467 62.754 63.100 0.202 0.000 1.112 165 P CB -0.175 31.590 31.700 0.109 0.000 1.438 166 E N 4.674 124.976 120.200 0.171 0.000 2.526 166 E HA -0.306 4.023 4.350 -0.034 0.000 0.206 166 E C -0.498 176.322 176.600 0.367 0.000 1.139 166 E CA 1.114 57.515 56.400 0.002 0.000 0.913 166 E CB -1.506 27.736 29.700 -0.763 0.000 0.868 166 E HN 0.166 8.589 8.360 0.144 0.023 0.564 167 V N 0.597 120.755 119.914 0.405 0.000 2.245 167 V HA -0.431 4.043 4.120 0.591 0.000 0.233 167 V C 1.161 177.504 176.094 0.415 0.000 1.028 167 V CA 4.324 66.871 62.300 0.413 0.000 0.991 167 V CB -0.160 31.740 31.823 0.129 0.000 0.640 167 V HN -0.381 7.861 8.190 0.279 0.116 0.461 168 A N -1.717 121.242 122.820 0.232 0.000 1.930 168 A HA -0.349 4.082 4.320 0.185 0.000 0.217 168 A C 1.228 178.907 177.584 0.158 0.000 1.175 168 A CA 2.803 54.941 52.037 0.170 0.000 0.627 168 A CB -0.830 18.218 19.000 0.081 0.000 0.815 168 A HN 0.472 8.720 8.150 0.163 0.000 0.443 169 S N -3.579 112.211 115.700 0.150 0.000 2.537 169 S HA -0.264 4.243 4.470 0.061 0.000 0.240 169 S C 0.206 174.859 174.600 0.089 0.000 0.981 169 S CA 2.585 60.841 58.200 0.093 0.000 0.948 169 S CB -0.333 62.910 63.200 0.073 0.000 0.759 169 S HN 0.346 8.734 8.310 0.153 0.014 0.531 170 T N 0.088 114.729 114.554 0.145 0.000 3.491 170 T HA 0.105 4.499 4.350 0.074 0.000 0.284 170 T C -0.040 174.767 174.700 0.177 0.000 0.905 170 T CA 1.888 64.055 62.100 0.112 0.000 1.017 170 T CB 0.469 69.365 68.868 0.047 0.000 1.202 170 T HN -0.409 7.904 8.240 0.242 0.072 0.518 171 F N 4.192 124.216 119.950 0.123 0.000 2.118 171 F HA -0.310 4.259 4.527 0.071 0.000 0.293 171 F C -0.039 175.783 175.800 0.037 0.000 1.102 171 F CA 3.486 61.575 58.000 0.150 0.000 1.247 171 F CB 0.534 39.837 39.000 0.507 0.000 1.017 171 F HN -0.730 7.886 8.300 0.528 0.000 0.475 172 K N -0.473 119.813 120.400 -0.189 0.000 2.211 172 K HA -0.286 3.503 4.320 -0.885 0.000 0.204 172 K C 2.006 178.448 176.600 -0.262 0.000 1.047 172 K CA 2.944 58.962 56.287 -0.448 0.000 0.935 172 K CB -0.776 31.584 32.500 -0.233 0.000 0.728 172 K HN -0.392 7.988 8.250 0.216 0.000 0.452 173 V N 0.278 120.124 119.914 -0.113 0.000 2.220 173 V HA -0.481 3.587 4.120 -0.086 0.000 0.242 173 V C 1.640 177.657 176.094 -0.128 0.000 1.041 173 V CA 3.903 66.153 62.300 -0.083 0.000 0.990 173 V CB -0.316 31.498 31.823 -0.015 0.000 0.634 173 V HN -0.782 7.372 8.190 -0.031 0.017 0.452 174 L N -0.259 120.908 121.223 -0.093 0.000 1.990 174 L HA -0.355 3.905 4.340 -0.134 0.000 0.213 174 L C 1.419 178.137 176.870 -0.252 0.000 1.072 174 L CA 3.666 58.424 54.840 -0.137 0.000 0.755 174 L CB -0.365 41.653 42.059 -0.068 0.000 0.889 174 L HN 0.116 8.226 8.230 -0.026 0.105 0.432 175 R N -3.541 116.779 120.500 -0.300 0.000 2.148 175 R HA -0.317 3.801 4.340 -0.369 0.000 0.227 175 R C 2.021 178.051 176.300 -0.449 0.000 1.103 175 R CA 2.889 58.737 56.100 -0.420 0.000 0.983 175 R CB -0.950 29.014 30.300 -0.560 0.000 0.874 175 R HN 0.627 8.631 8.270 -0.261 0.109 0.451 176 N N 0.025 118.493 118.700 -0.387 0.000 2.251 176 N HA -0.095 4.459 4.740 -0.310 0.000 0.181 176 N C 1.993 177.395 175.510 -0.179 0.000 1.019 176 N CA 2.400 55.279 53.050 -0.285 0.000 0.862 176 N CB -0.216 38.129 38.487 -0.237 0.000 0.992 176 N HN -0.561 7.472 8.380 -0.362 0.129 0.429 177 V N 0.469 120.292 119.914 -0.151 0.000 2.324 177 V HA -0.462 3.657 4.120 -0.003 0.000 0.250 177 V C 1.758 177.827 176.094 -0.042 0.000 1.060 177 V CA 4.226 66.490 62.300 -0.060 0.000 1.042 177 V CB -0.230 31.565 31.823 -0.046 0.000 0.650 177 V HN 0.373 8.457 8.190 -0.177 0.000 0.450 178 T N 3.060 117.442 114.554 -0.288 0.000 2.639 178 T HA -0.247 3.762 4.350 -0.568 0.000 0.261 178 T C 1.661 176.264 174.700 -0.162 0.000 1.053 178 T CA 4.946 66.781 62.100 -0.442 0.000 1.158 178 T CB -0.033 68.431 68.868 -0.673 0.000 0.863 178 T HN 0.281 8.126 8.240 -0.337 0.193 0.413 179 V N 1.943 121.733 119.914 -0.208 0.000 2.743 179 V HA -0.094 3.982 4.120 -0.073 0.000 0.356 179 V C -0.929 175.127 176.094 -0.063 0.000 1.594 179 V CA 1.108 63.326 62.300 -0.137 0.000 1.652 179 V CB -2.045 29.635 31.823 -0.239 0.000 1.389 179 V HN 0.225 8.117 8.190 -0.296 0.121 0.514 180 V N 0.942 120.869 119.914 0.021 0.000 4.311 180 V HA 0.010 4.163 4.120 0.055 0.000 0.154 180 V C -0.436 175.730 176.094 0.121 0.000 1.381 180 V CA 2.470 64.803 62.300 0.055 0.000 1.066 180 V CB 2.479 34.312 31.823 0.017 0.000 1.129 180 V HN 0.098 8.223 8.190 0.074 0.110 0.612 181 L N -0.755 120.561 121.223 0.155 0.000 2.552 181 L HA -0.132 4.233 4.340 0.042 0.000 0.227 181 L C 0.347 177.284 176.870 0.113 0.000 1.146 181 L CA 2.473 57.373 54.840 0.099 0.000 0.858 181 L CB 0.234 42.312 42.059 0.033 0.000 0.969 181 L HN 0.052 8.268 8.230 0.159 0.110 0.451 182 W N -2.792 118.380 121.300 -0.214 0.000 2.357 182 W HA 0.156 4.941 4.660 0.015 -0.116 0.386 182 W C -0.628 175.871 176.519 -0.032 0.000 0.889 182 W CA -1.021 56.281 57.345 -0.071 0.000 2.425 182 W CB 0.497 29.944 29.460 -0.021 0.000 1.244 182 W HN 0.321 8.651 8.180 0.465 0.129 0.646 183 S N -0.166 115.692 115.700 0.262 0.000 2.503 183 S HA 0.058 4.639 4.470 0.186 0.000 0.215 183 S C -0.132 174.632 174.600 0.274 0.000 1.003 183 S CA 1.860 60.182 58.200 0.203 0.000 0.910 183 S CB 1.171 64.441 63.200 0.117 0.000 0.790 183 S HN -0.315 7.996 8.310 0.247 0.146 0.514 184 A N 0.666 123.663 122.820 0.295 0.000 3.041 184 A HA 0.230 4.928 4.320 0.630 0.000 0.307 184 A C -1.922 175.791 177.584 0.215 0.000 1.116 184 A CA 0.489 52.785 52.037 0.432 0.000 1.001 184 A CB -0.034 19.156 19.000 0.317 0.000 1.112 184 A HN -0.091 8.062 8.150 0.235 0.138 0.556 185 Y N -2.766 117.427 120.300 -0.179 0.000 2.666 185 Y HA 0.291 3.642 4.550 -1.998 0.000 0.260 185 Y C -1.988 173.709 175.900 -0.339 0.000 1.089 185 Y CA -1.461 56.041 58.100 -0.995 0.000 1.246 185 Y CB 1.261 38.917 38.460 -1.340 0.000 1.353 185 Y HN 0.019 8.410 8.280 0.325 0.084 0.558 186 P HA 0.186 5.026 4.420 0.700 0.000 0.245 186 P C -0.084 177.669 177.300 0.756 0.000 1.146 186 P CA 0.922 64.338 63.100 0.527 0.000 0.923 186 P CB 1.152 32.875 31.700 0.037 0.000 1.081 187 V N 0.880 121.220 119.914 0.709 0.000 2.249 187 V HA -0.184 4.094 4.120 0.263 0.000 0.239 187 V C 0.815 176.907 176.094 -0.004 0.000 1.038 187 V CA 3.498 66.002 62.300 0.339 0.000 1.005 187 V CB 0.286 32.240 31.823 0.219 0.000 0.646 187 V HN -0.707 7.924 8.190 0.735 0.000 0.455 188 V N -1.880 117.694 119.914 -0.567 0.000 3.102 188 V HA -0.130 3.697 4.120 -0.489 0.000 0.371 188 V C -1.096 173.806 176.094 -1.987 0.000 1.414 188 V CA -0.253 61.452 62.300 -0.991 0.000 1.565 188 V CB -1.500 30.019 31.823 -0.507 0.000 1.273 188 V HN 0.026 8.082 8.190 -0.224 0.000 0.478 189 W N -2.224 119.253 121.300 0.295 0.000 2.304 189 W HA 0.223 5.239 4.660 0.417 -0.106 0.326 189 W C -0.445 176.232 176.519 0.263 0.000 0.920 189 W CA -0.866 56.697 57.345 0.364 0.000 1.518 189 W CB 0.968 30.730 29.460 0.503 0.000 1.112 189 W HN 0.034 7.869 8.180 -0.333 0.145 0.528 190 L N 1.931 123.223 121.223 0.116 0.000 1.961 190 L HA -0.303 4.134 4.340 0.092 -0.042 0.209 190 L C 1.207 178.075 176.870 -0.004 0.000 1.075 190 L CA 4.761 59.639 54.840 0.064 0.000 0.749 190 L CB 0.255 42.346 42.059 0.053 0.000 0.890 190 L HN 0.420 8.556 8.230 0.036 0.115 0.433 191 I N -7.820 112.704 120.570 -0.076 0.000 3.702 191 I HA 0.028 4.171 4.170 -0.045 0.000 0.305 191 I C -0.499 175.532 176.117 -0.143 0.000 1.346 191 I CA -0.250 60.997 61.300 -0.089 0.000 1.258 191 I CB -2.216 35.740 38.000 -0.074 0.000 1.121 191 I HN -0.832 7.318 8.210 -0.100 0.000 0.437 192 G N -0.144 108.586 108.800 -0.116 0.000 4.988 192 G HA2 0.218 4.339 3.960 0.068 0.000 0.227 192 G HA3 0.218 4.311 3.960 -0.039 -0.157 0.227 192 G C -1.798 173.294 174.900 0.321 0.000 0.955 192 G CA -0.572 44.564 45.100 0.060 0.000 0.784 192 G HN -0.483 7.564 8.290 -0.047 0.214 0.537 193 S N -1.265 114.531 115.700 0.161 0.000 3.454 193 S HA -0.358 4.151 4.470 0.066 0.000 0.508 193 S C 0.665 175.329 174.600 0.108 0.000 0.738 193 S CA 0.725 59.010 58.200 0.142 0.000 1.383 193 S CB -2.019 61.290 63.200 0.181 0.000 0.945 193 S HN -0.511 7.838 8.310 0.065 0.000 0.768 194 E N 1.709 121.944 120.200 0.058 0.000 2.236 194 E HA -0.398 4.136 4.350 0.061 -0.147 0.205 194 E C 0.846 177.412 176.600 -0.056 0.000 1.028 194 E CA 2.066 58.483 56.400 0.028 0.000 0.827 194 E CB 0.173 29.898 29.700 0.041 0.000 0.735 194 E HN 0.168 8.498 8.360 0.052 0.062 0.470 195 G N -3.072 105.689 108.800 -0.066 0.000 2.509 195 G HA2 0.226 4.148 3.960 0.019 0.000 0.328 195 G HA3 0.226 4.196 3.960 0.016 0.000 0.328 195 G C -1.645 173.252 174.900 -0.005 0.000 1.194 195 G CA -1.242 43.855 45.100 -0.004 0.000 0.967 195 G HN -0.578 7.640 8.290 -0.121 0.000 0.488 196 A N 0.547 123.373 122.820 0.009 0.000 2.182 196 A HA 0.096 4.415 4.320 -0.002 0.000 0.222 196 A C -0.685 176.916 177.584 0.030 0.000 1.904 196 A CA 0.989 53.032 52.037 0.009 0.000 0.808 196 A CB 0.760 19.766 19.000 0.011 0.000 1.404 196 A HN 0.437 8.596 8.150 0.015 0.000 0.587 197 G N -2.284 106.557 108.800 0.068 0.000 2.885 197 G HA2 0.123 4.239 3.960 0.260 0.000 0.233 197 G HA3 0.123 4.205 3.960 0.203 0.000 0.233 197 G C -1.113 173.914 174.900 0.211 0.000 2.964 197 G CA 0.516 45.738 45.100 0.203 0.000 0.824 197 G HN 0.130 8.445 8.290 0.042 0.000 0.441 198 I N -0.913 119.689 120.570 0.053 0.000 2.758 198 I HA 0.124 4.287 4.170 -0.011 0.000 0.283 198 I C -1.510 174.562 176.117 -0.075 0.000 1.566 198 I CA 0.057 61.339 61.300 -0.030 0.000 1.084 198 I CB 1.154 39.101 38.000 -0.088 0.000 1.469 198 I HN -0.677 7.545 8.210 0.019 0.000 0.422 199 V N 8.316 128.193 119.914 -0.061 0.000 2.267 199 V HA 0.043 4.140 4.120 -0.037 0.000 0.228 199 V C -0.301 175.751 176.094 -0.070 0.000 1.040 199 V CA 1.707 63.976 62.300 -0.051 0.000 1.010 199 V CB -1.708 30.095 31.823 -0.033 0.000 0.649 199 V HN 0.189 8.350 8.190 -0.048 0.000 0.464 200 P HA -0.112 4.270 4.420 -0.063 0.000 0.213 200 P C -0.270 176.969 177.300 -0.103 0.000 1.170 200 P CA 1.676 64.730 63.100 -0.078 0.000 0.902 200 P CB -0.312 31.345 31.700 -0.071 0.000 0.789 201 L N -5.296 115.845 121.223 -0.137 0.000 2.264 201 L HA 0.458 4.720 4.340 -0.129 0.000 0.289 201 L C -1.007 175.771 176.870 -0.153 0.000 1.044 201 L CA -0.314 54.433 54.840 -0.155 0.000 0.807 201 L CB 2.659 44.591 42.059 -0.212 0.000 1.192 201 L HN -0.240 7.897 8.230 -0.155 0.000 0.425 202 N N 3.868 122.492 118.700 -0.126 0.000 2.271 202 N HA -0.014 4.645 4.740 -0.134 0.000 0.267 202 N C 0.844 176.299 175.510 -0.091 0.000 0.987 202 N CA 0.620 53.603 53.050 -0.111 0.000 0.824 202 N CB 1.033 39.471 38.487 -0.082 0.000 1.775 202 N HN -0.077 8.236 8.380 -0.113 0.000 0.728 203 I N -2.202 118.325 120.570 -0.072 0.000 2.039 203 I HA -0.455 3.686 4.170 -0.048 0.000 0.233 203 I C 1.002 177.083 176.117 -0.060 0.000 1.040 203 I CA 3.240 64.505 61.300 -0.059 0.000 1.308 203 I CB -1.226 36.742 38.000 -0.053 0.000 1.035 203 I HN -0.258 7.910 8.210 -0.069 0.000 0.392 204 E N -0.532 119.634 120.200 -0.057 0.000 3.995 204 E HA -0.492 3.837 4.350 -0.035 0.000 0.245 204 E C -0.321 176.196 176.600 -0.140 0.000 1.300 204 E CA 2.717 59.065 56.400 -0.086 0.000 2.077 204 E CB -0.890 28.711 29.700 -0.165 0.000 1.830 204 E HN 0.433 8.759 8.360 -0.057 0.000 0.271 205 T N -7.663 106.700 114.554 -0.319 0.000 3.367 205 T HA 0.068 3.556 4.350 -1.437 0.000 0.273 205 T C 1.164 175.666 174.700 -0.330 0.000 0.879 205 T CA 1.563 63.249 62.100 -0.690 0.000 0.952 205 T CB 1.306 69.735 68.868 -0.732 0.000 1.236 205 T HN -0.617 7.485 8.240 -0.229 0.000 0.532 206 L N 2.935 124.045 121.223 -0.188 0.000 2.093 206 L HA -0.195 4.104 4.340 -0.068 0.000 0.208 206 L C 1.288 178.159 176.870 0.002 0.000 1.085 206 L CA 3.328 58.116 54.840 -0.086 0.000 0.755 206 L CB -0.925 41.074 42.059 -0.100 0.000 0.904 206 L HN -0.519 7.587 8.230 -0.206 0.000 0.435 207 L N -1.938 119.294 121.223 0.015 0.000 1.950 207 L HA -0.288 4.097 4.340 0.075 0.000 0.210 207 L C 1.862 178.865 176.870 0.221 0.000 1.079 207 L CA 2.482 57.370 54.840 0.080 0.000 0.754 207 L CB -1.091 40.986 42.059 0.030 0.000 0.889 207 L HN -0.327 7.885 8.230 -0.031 0.000 0.433 208 F N 0.997 121.005 119.950 0.096 0.000 2.068 208 F HA -0.556 4.254 4.527 0.473 0.000 0.289 208 F C 2.328 178.351 175.800 0.370 0.000 1.089 208 F CA 3.391 61.581 58.000 0.316 0.000 1.263 208 F CB -0.465 38.684 39.000 0.248 0.000 0.955 208 F HN -0.830 7.598 8.300 0.213 0.000 0.501 209 M N -3.501 116.422 119.600 0.539 0.000 2.562 209 M HA -0.274 4.812 4.480 0.673 -0.202 0.257 209 M C 1.716 178.208 176.300 0.321 0.000 1.099 209 M CA 2.602 58.187 55.300 0.475 0.000 1.099 209 M CB 0.080 32.887 32.600 0.345 0.000 1.427 209 M HN 0.250 8.577 8.290 0.263 0.122 0.489 210 V N 0.460 120.527 119.914 0.255 0.000 2.453 210 V HA -0.381 3.827 4.120 0.147 0.000 0.252 210 V C 0.725 176.916 176.094 0.161 0.000 1.068 210 V CA 4.217 66.625 62.300 0.180 0.000 1.070 210 V CB -0.405 31.509 31.823 0.151 0.000 0.664 210 V HN 0.134 8.331 8.190 0.266 0.153 0.461 211 L N -4.975 116.380 121.223 0.220 0.000 2.590 211 L HA 0.105 4.443 4.340 -0.003 0.000 0.227 211 L C 1.385 178.301 176.870 0.076 0.000 1.099 211 L CA 0.436 55.331 54.840 0.092 0.000 0.872 211 L CB 0.010 42.133 42.059 0.106 0.000 1.088 211 L HN -0.076 8.211 8.230 0.345 0.150 0.479 212 D N 2.036 122.572 120.400 0.227 0.000 2.158 212 D HA -0.292 4.432 4.640 0.141 0.000 0.197 212 D C 2.380 178.666 176.300 -0.024 0.000 0.995 212 D CA 4.341 58.433 54.000 0.153 0.000 0.846 212 D CB -0.237 40.736 40.800 0.288 0.000 0.941 212 D HN -0.433 8.012 8.370 0.352 0.136 0.456 213 V N -0.926 118.986 119.914 -0.003 0.000 2.250 213 V HA -0.540 3.524 4.120 -0.093 0.000 0.253 213 V C 1.735 177.795 176.094 -0.056 0.000 1.065 213 V CA 4.707 66.981 62.300 -0.043 0.000 1.039 213 V CB -0.263 31.565 31.823 0.010 0.000 0.647 213 V HN -0.595 7.635 8.190 0.080 0.008 0.446 214 S N -0.277 115.380 115.700 -0.072 0.000 2.382 214 S HA -0.308 4.340 4.470 0.006 -0.173 0.228 214 S C 1.243 175.851 174.600 0.014 0.000 1.027 214 S CA 3.112 61.270 58.200 -0.070 0.000 0.991 214 S CB -0.290 62.771 63.200 -0.233 0.000 0.823 214 S HN -0.438 7.708 8.310 -0.082 0.115 0.469 215 A N 0.872 123.685 122.820 -0.012 0.000 1.933 215 A HA -0.196 4.280 4.320 0.259 0.000 0.218 215 A C 2.106 179.730 177.584 0.067 0.000 1.175 215 A CA 2.710 54.823 52.037 0.128 0.000 0.628 215 A CB -0.334 18.768 19.000 0.171 0.000 0.814 215 A HN -0.654 7.375 8.150 -0.063 0.083 0.444 216 K N -4.470 115.899 120.400 -0.051 0.000 1.984 216 K HA -0.146 4.128 4.320 -0.077 0.000 0.209 216 K C 1.008 177.559 176.600 -0.082 0.000 1.046 216 K CA 1.667 57.893 56.287 -0.102 0.000 0.934 216 K CB 0.703 33.080 32.500 -0.204 0.000 0.717 216 K HN -0.333 7.731 8.250 -0.085 0.134 0.438 217 V N -8.894 110.979 119.914 -0.067 0.000 3.232 217 V HA 0.205 4.305 4.120 -0.034 0.000 0.303 217 V C -1.296 174.808 176.094 0.016 0.000 1.311 217 V CA -1.383 60.882 62.300 -0.058 0.000 1.061 217 V CB 2.785 34.506 31.823 -0.169 0.000 1.085 217 V HN -0.268 7.890 8.190 -0.053 0.000 0.447 218 G N 0.000 108.831 108.800 0.052 0.000 5.446 218 G HA2 0.000 nan 3.960 nan 0.000 0.244 218 G HA3 0.000 3.991 3.960 0.052 0.000 0.244 218 G CA 0.000 45.143 45.100 0.071 0.000 0.502 218 G HN 0.000 8.321 8.290 0.051 0.000 0.925