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 1z87_1_A DATA FIRST_RESID 2 DATA SEQUENCE ASGRRAPRTG LLELRCGAGS GAGGERWQRV LLSLAEDALT VSPADGEPGP DATA SEQUENCE EPEPAQLNGA AEPGAAPPQL PEALLLQRRR VTVRKADAGG LGISIKGGRE DATA SEQUENCE NKMPILISKI FKGLAADQTE ALFVGDAILS VNGEDLSSAT HDEAVQALKK DATA SEQUENCE TGKEVVLEVK YMKEVSPYFK NSAGGTSVGW DSPPASPLQR QPSSPGPQPR DATA SEQUENCE NLSEAKHVSL KMAYVSRRCT PTDPEPRYLE ICAADGQDAV FLRAKDEASA DATA SEQUENCE RSWAGAIQAQ IGT 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 2 A HA 0.000 4.323 4.320 0.005 0.000 0.244 2 A C 0.000 177.587 177.584 0.005 0.000 1.274 2 A CA 0.000 52.040 52.037 0.005 0.000 0.836 2 A CB 0.000 19.003 19.000 0.005 0.000 0.831 3 S N 1.604 117.307 115.700 0.006 0.000 2.599 3 S HA 0.051 4.525 4.470 0.007 0.000 0.269 3 S C -1.252 173.351 174.600 0.006 0.000 1.135 3 S CA 0.661 58.865 58.200 0.006 0.000 1.027 3 S CB 1.141 64.343 63.200 0.005 0.000 1.129 3 S HN 0.035 8.348 8.310 0.006 0.000 0.458 4 G N 5.160 113.964 108.800 0.007 0.000 4.943 4 G HA2 0.182 4.146 3.960 0.005 0.000 0.315 4 G HA3 0.182 4.147 3.960 0.007 0.000 0.315 4 G C -0.256 174.648 174.900 0.006 0.000 1.437 4 G CA 0.325 45.429 45.100 0.006 0.000 1.027 4 G HN 0.453 8.748 8.290 0.008 0.000 0.567 5 R N -1.412 119.090 120.500 0.005 0.000 1.300 5 R HA -0.391 3.951 4.340 0.003 0.000 0.029 5 R C 0.044 176.346 176.300 0.004 0.000 0.959 5 R CA 1.806 57.908 56.100 0.003 0.000 1.961 5 R CB -1.009 29.293 30.300 0.003 0.000 0.177 5 R HN 0.078 8.351 8.270 0.004 0.000 0.727 6 R N 1.361 121.864 120.500 0.006 0.000 2.756 6 R HA -0.149 4.195 4.340 0.005 0.000 0.264 6 R C -1.649 174.657 176.300 0.010 0.000 1.026 6 R CA 0.407 56.511 56.100 0.008 0.000 1.121 6 R CB 0.304 30.610 30.300 0.010 0.000 0.999 6 R HN -0.038 8.201 8.270 0.006 0.035 0.449 7 A N 1.274 124.101 122.820 0.012 0.000 2.465 7 A HA 0.336 4.667 4.320 0.017 0.000 0.292 7 A C -2.750 174.848 177.584 0.024 0.000 1.041 7 A CA -1.793 50.254 52.037 0.016 0.000 0.718 7 A CB 1.775 20.782 19.000 0.012 0.000 1.266 7 A HN 0.073 8.229 8.150 0.011 0.000 0.403 8 P HA -0.016 4.518 4.420 0.055 -0.081 0.271 8 P C -1.363 175.977 177.300 0.066 0.000 1.216 8 P CA -0.742 62.389 63.100 0.052 0.000 0.771 8 P CB 0.672 32.403 31.700 0.051 0.000 0.864 9 R N 4.375 124.928 120.500 0.088 0.000 2.343 9 R HA -0.075 4.296 4.340 0.053 0.000 0.326 9 R C -0.765 175.674 176.300 0.231 0.000 1.055 9 R CA 0.483 56.644 56.100 0.101 0.000 0.961 9 R CB 0.185 30.503 30.300 0.029 0.000 0.978 9 R HN 0.097 8.421 8.270 0.089 0.000 0.443 10 T N 4.377 119.041 114.554 0.183 0.000 2.824 10 T HA 0.995 5.767 4.350 0.251 -0.272 0.280 10 T C -0.156 174.706 174.700 0.271 0.000 0.995 10 T CA -2.672 59.555 62.100 0.212 0.000 1.009 10 T CB 1.417 70.346 68.868 0.102 0.000 0.955 10 T HN -0.122 8.186 8.240 0.113 0.000 0.452 11 G N 2.346 111.356 108.800 0.349 0.000 2.677 11 G HA2 0.250 4.354 3.960 0.240 0.000 0.291 11 G HA3 0.250 4.609 3.960 0.665 0.000 0.291 11 G C -3.068 171.950 174.900 0.196 0.000 1.435 11 G CA -0.049 45.273 45.100 0.371 0.000 0.826 11 G HN 0.075 8.529 8.290 0.273 0.000 0.491 12 L N 0.311 121.629 121.223 0.159 0.000 2.350 12 L HA 0.379 4.888 4.340 0.015 -0.160 0.275 12 L C -0.732 176.167 176.870 0.048 0.000 1.099 12 L CA -0.011 54.868 54.840 0.066 0.000 0.808 12 L CB 1.263 43.359 42.059 0.061 0.000 1.149 12 L HN 0.220 8.562 8.230 0.187 0.000 0.442 13 L N 0.366 121.565 121.223 -0.040 0.000 2.415 13 L HA 0.517 4.958 4.340 0.007 -0.097 0.256 13 L C -1.548 175.293 176.870 -0.048 0.000 1.010 13 L CA -1.797 53.003 54.840 -0.066 0.000 0.826 13 L CB 4.555 46.477 42.059 -0.228 0.000 1.405 13 L HN 0.977 9.054 8.230 -0.059 0.118 0.410 14 E N 0.992 121.193 120.200 0.001 0.000 2.081 14 E HA 0.467 5.039 4.350 0.031 -0.203 0.281 14 E C -1.076 175.463 176.600 -0.101 0.000 0.986 14 E CA -0.289 56.140 56.400 0.049 0.000 0.796 14 E CB 1.232 31.059 29.700 0.212 0.000 1.085 14 E HN 0.589 8.848 8.360 0.033 0.121 0.398 15 L N 5.394 126.482 121.223 -0.225 0.000 2.331 15 L HA 0.497 4.479 4.340 -0.835 -0.143 0.275 15 L C -1.427 175.101 176.870 -0.570 0.000 1.022 15 L CA -1.533 52.996 54.840 -0.519 0.000 0.812 15 L CB 4.032 45.857 42.059 -0.391 0.000 1.257 15 L HN 0.935 9.085 8.230 -0.134 0.000 0.435 16 R N 2.016 121.964 120.500 -0.921 0.000 2.543 16 R HA 0.493 4.529 4.340 -0.831 -0.195 0.268 16 R C -0.833 175.217 176.300 -0.416 0.000 1.067 16 R CA -0.635 54.976 56.100 -0.816 0.000 1.142 16 R CB 1.582 31.315 30.300 -0.945 0.000 1.110 16 R HN 0.258 7.770 8.270 -1.264 0.000 0.549 17 C N 0.637 119.764 119.300 -0.289 0.000 2.701 17 C HA 0.140 4.506 4.460 -0.156 0.000 0.336 17 C C 0.520 175.445 174.990 -0.108 0.000 1.123 17 C CA -0.322 58.599 59.018 -0.161 0.000 1.326 17 C CB 1.783 29.453 27.740 -0.116 0.000 1.833 17 C HN 0.283 8.246 8.230 -0.316 0.078 0.473 18 G N 7.151 115.904 108.800 -0.079 0.000 2.454 18 G HA2 -0.343 3.593 3.960 -0.040 0.000 0.225 18 G HA3 -0.343 3.593 3.960 -0.039 0.000 0.225 18 G C -0.905 173.967 174.900 -0.046 0.000 1.138 18 G CA 0.866 45.937 45.100 -0.050 0.000 0.667 18 G HN 0.484 8.726 8.290 -0.080 0.000 0.512 19 A N 3.734 126.516 122.820 -0.064 0.000 2.981 19 A HA 0.156 4.457 4.320 -0.031 0.000 0.280 19 A C -0.509 177.044 177.584 -0.052 0.000 1.743 19 A CA -0.423 51.583 52.037 -0.052 0.000 1.430 19 A CB -1.279 17.685 19.000 -0.061 0.000 1.085 19 A HN -0.382 7.618 8.150 -0.091 0.094 0.597 20 G N -1.359 107.418 108.800 -0.038 0.000 2.747 20 G HA2 0.089 4.030 3.960 -0.031 0.000 0.202 20 G HA3 0.089 4.032 3.960 -0.028 0.000 0.202 20 G C 0.143 175.027 174.900 -0.025 0.000 1.090 20 G CA 0.361 45.443 45.100 -0.031 0.000 0.779 20 G HN -0.123 8.115 8.290 -0.032 0.033 0.535 21 S N -1.709 113.978 115.700 -0.021 0.000 2.885 21 S HA 0.109 4.568 4.470 -0.018 0.000 0.238 21 S C 0.040 174.633 174.600 -0.012 0.000 0.766 21 S CA 1.038 59.229 58.200 -0.016 0.000 1.089 21 S CB -0.020 63.172 63.200 -0.013 0.000 1.396 21 S HN -0.221 8.077 8.310 -0.021 0.000 0.509 22 G N 0.975 109.769 108.800 -0.011 0.000 2.687 22 G HA2 0.138 4.095 3.960 -0.005 0.000 0.201 22 G HA3 0.138 4.095 3.960 -0.006 0.000 0.201 22 G C -0.627 174.272 174.900 -0.001 0.000 1.211 22 G CA 0.424 45.520 45.100 -0.006 0.000 0.637 22 G HN 0.148 8.429 8.290 -0.015 0.000 0.900 23 A N 0.461 123.281 122.820 -0.001 0.000 2.846 23 A HA -0.158 4.169 4.320 0.011 0.000 0.287 23 A C 0.371 177.964 177.584 0.015 0.000 1.469 23 A CA 0.760 52.802 52.037 0.009 0.000 0.757 23 A CB -1.971 17.034 19.000 0.009 0.000 1.033 23 A HN -0.066 8.080 8.150 -0.007 0.000 0.516 24 G N -1.958 106.850 108.800 0.013 0.000 4.864 24 G HA2 -0.040 3.932 3.960 0.019 0.000 0.280 24 G HA3 -0.040 3.927 3.960 0.011 0.000 0.280 24 G C -0.418 174.494 174.900 0.020 0.000 1.239 24 G CA -0.420 44.690 45.100 0.016 0.000 0.951 24 G HN 0.198 8.493 8.290 0.008 0.000 0.583 25 G N -0.248 108.571 108.800 0.030 0.000 2.237 25 G HA2 -0.199 3.788 3.960 0.046 0.000 0.234 25 G HA3 -0.199 3.777 3.960 0.026 0.000 0.234 25 G C -0.808 174.119 174.900 0.045 0.000 1.842 25 G CA -0.547 44.575 45.100 0.037 0.000 1.208 25 G HN -0.398 7.914 8.290 0.036 0.000 0.644 26 E N 0.324 120.573 120.200 0.082 0.000 2.569 26 E HA -0.076 4.291 4.350 0.030 0.000 0.258 26 E C -0.009 176.660 176.600 0.115 0.000 1.390 26 E CA -0.110 56.354 56.400 0.106 0.000 1.049 26 E CB 0.870 30.733 29.700 0.272 0.000 1.009 26 E HN -0.183 8.235 8.360 0.096 0.000 0.580 27 R N -0.575 119.990 120.500 0.107 0.000 3.599 27 R HA 0.053 4.534 4.340 0.235 0.000 0.310 27 R C -2.537 173.792 176.300 0.049 0.000 1.004 27 R CA -0.355 55.822 56.100 0.128 0.000 1.105 27 R CB 1.180 31.498 30.300 0.030 0.000 1.350 27 R HN 0.147 8.401 8.270 -0.025 0.000 0.412 28 W N 2.587 123.866 121.300 -0.035 0.000 2.349 28 W HA 0.570 5.399 4.660 -0.095 -0.226 0.309 28 W C -0.212 176.272 176.519 -0.058 0.000 1.083 28 W CA -1.897 55.412 57.345 -0.061 0.000 1.224 28 W CB 0.617 30.050 29.460 -0.044 0.000 1.256 28 W HN 0.246 8.801 8.180 0.626 0.000 0.461 29 Q N 1.270 121.120 119.800 0.083 0.000 2.458 29 Q HA 0.455 4.835 4.340 0.066 0.000 0.282 29 Q C -1.399 174.607 176.000 0.010 0.000 1.106 29 Q CA -1.326 54.500 55.803 0.038 0.000 0.814 29 Q CB 5.032 33.767 28.738 -0.005 0.000 1.425 29 Q HN 0.796 8.958 8.270 -0.008 0.103 0.437 30 R N 1.378 121.883 120.500 0.008 0.000 2.340 30 R HA 0.491 5.013 4.340 -0.000 -0.182 0.300 30 R C -0.474 175.807 176.300 -0.032 0.000 1.069 30 R CA -0.198 55.899 56.100 -0.004 0.000 0.984 30 R CB 0.491 30.797 30.300 0.011 0.000 1.003 30 R HN 0.317 8.595 8.270 0.014 0.000 0.459 31 V N -2.288 117.593 119.914 -0.054 0.000 2.888 31 V HA 0.371 4.457 4.120 -0.057 0.000 0.309 31 V C -2.640 173.407 176.094 -0.078 0.000 1.114 31 V CA -2.745 59.510 62.300 -0.074 0.000 0.940 31 V CB 3.457 35.213 31.823 -0.111 0.000 1.021 31 V HN 0.880 8.927 8.190 -0.054 0.110 0.426 32 L N 4.821 126.006 121.223 -0.064 0.000 2.371 32 L HA 0.564 5.080 4.340 -0.036 -0.198 0.272 32 L C -1.948 174.864 176.870 -0.097 0.000 1.124 32 L CA -0.918 53.890 54.840 -0.053 0.000 0.816 32 L CB 1.727 43.773 42.059 -0.023 0.000 1.129 32 L HN 0.464 8.660 8.230 -0.056 0.000 0.448 33 L N 5.594 126.745 121.223 -0.121 0.000 2.376 33 L HA 0.417 4.665 4.340 -0.153 0.000 0.275 33 L C -2.139 174.694 176.870 -0.063 0.000 0.987 33 L CA -0.256 54.473 54.840 -0.185 0.000 0.828 33 L CB 3.580 45.371 42.059 -0.447 0.000 1.249 33 L HN 1.102 9.179 8.230 -0.077 0.107 0.409 34 S N 6.725 122.406 115.700 -0.032 0.000 2.461 34 S HA 0.352 5.055 4.470 0.106 -0.170 0.322 34 S C -1.894 172.743 174.600 0.061 0.000 1.063 34 S CA -0.672 57.550 58.200 0.037 0.000 1.120 34 S CB 0.650 63.845 63.200 -0.009 0.000 0.968 34 S HN 0.509 8.674 8.310 -0.069 0.104 0.467 35 L N 7.673 128.987 121.223 0.151 0.000 2.277 35 L HA 0.423 4.831 4.340 0.113 0.000 0.284 35 L C -1.833 175.112 176.870 0.125 0.000 1.028 35 L CA -1.197 53.736 54.840 0.156 0.000 0.835 35 L CB 1.703 43.919 42.059 0.262 0.000 1.215 35 L HN 0.274 8.644 8.230 0.234 0.000 0.425 36 A N 7.821 130.698 122.820 0.095 0.000 1.903 36 A HA 0.146 4.505 4.320 0.066 0.000 0.217 36 A C 0.481 178.103 177.584 0.063 0.000 1.387 36 A CA 2.121 54.202 52.037 0.073 0.000 0.604 36 A CB 0.415 19.458 19.000 0.072 0.000 1.043 36 A HN 0.485 8.694 8.150 0.098 0.000 0.481 37 E N -3.982 116.253 120.200 0.058 0.000 3.968 37 E HA 0.100 4.474 4.350 0.040 0.000 0.219 37 E C -1.428 175.194 176.600 0.036 0.000 1.310 37 E CA 0.567 56.992 56.400 0.041 0.000 1.622 37 E CB 2.482 32.199 29.700 0.029 0.000 1.730 37 E HN 0.074 8.474 8.360 0.067 0.000 0.629 38 D N -0.859 119.559 120.400 0.031 0.000 2.525 38 D HA 0.067 4.715 4.640 0.014 0.000 0.229 38 D C -1.591 174.721 176.300 0.019 0.000 1.202 38 D CA -0.863 53.147 54.000 0.017 0.000 0.828 38 D CB 0.447 41.248 40.800 0.002 0.000 1.008 38 D HN -0.105 8.285 8.370 0.033 0.000 0.493 39 A N -1.633 121.221 122.820 0.055 0.000 2.582 39 A HA 0.481 4.980 4.320 0.047 -0.151 0.297 39 A C -2.732 174.947 177.584 0.159 0.000 1.059 39 A CA -0.390 51.701 52.037 0.091 0.000 0.705 39 A CB 2.705 21.759 19.000 0.090 0.000 1.279 39 A HN -0.598 7.506 8.150 0.066 0.085 0.404 40 L N -1.098 120.239 121.223 0.189 0.000 2.343 40 L HA 1.045 5.625 4.340 0.100 -0.180 0.278 40 L C -1.005 175.948 176.870 0.137 0.000 0.996 40 L CA -1.033 53.885 54.840 0.130 0.000 0.831 40 L CB 2.128 44.225 42.059 0.063 0.000 1.232 40 L HN 0.775 9.118 8.230 0.189 0.000 0.413 41 T N 6.106 120.629 114.554 -0.053 0.000 2.801 41 T HA 0.183 4.378 4.350 -0.259 0.000 0.306 41 T C -0.962 173.651 174.700 -0.145 0.000 1.020 41 T CA -0.370 61.572 62.100 -0.263 0.000 0.948 41 T CB 0.199 68.740 68.868 -0.545 0.000 0.962 41 T HN 0.939 9.063 8.240 -0.037 0.094 0.465 42 V N 8.564 128.413 119.914 -0.108 0.000 2.904 42 V HA 0.360 4.538 4.120 -0.106 -0.121 0.305 42 V C -0.404 175.635 176.094 -0.091 0.000 1.067 42 V CA -0.580 61.661 62.300 -0.099 0.000 1.044 42 V CB 0.965 32.732 31.823 -0.094 0.000 1.050 42 V HN 0.064 8.084 8.190 -0.084 0.120 0.475 43 S N 1.532 117.184 115.700 -0.081 0.000 2.586 43 S HA 0.549 5.211 4.470 -0.062 -0.230 0.277 43 S C -2.803 171.764 174.600 -0.055 0.000 1.131 43 S CA -2.120 56.041 58.200 -0.064 0.000 0.848 43 S CB 2.110 65.273 63.200 -0.060 0.000 1.091 43 S HN 0.882 9.140 8.310 -0.086 0.000 0.453 44 P HA 0.028 4.423 4.420 -0.042 0.000 0.271 44 P C -1.254 176.030 177.300 -0.026 0.000 1.233 44 P CA -0.280 62.798 63.100 -0.037 0.000 0.789 44 P CB 0.520 32.201 31.700 -0.031 0.000 0.951 45 A N 0.544 123.353 122.820 -0.019 0.000 2.313 45 A HA 0.123 4.439 4.320 -0.007 0.000 0.323 45 A C -0.761 176.820 177.584 -0.004 0.000 1.133 45 A CA -1.236 50.796 52.037 -0.008 0.000 0.847 45 A CB 1.342 20.341 19.000 -0.001 0.000 1.308 45 A HN -0.006 8.131 8.150 -0.021 0.000 0.475 46 D N -1.052 119.348 120.400 0.000 0.000 2.440 46 D HA -0.026 4.614 4.640 -0.001 0.000 0.269 46 D C 0.606 176.908 176.300 0.004 0.000 1.249 46 D CA -0.491 53.509 54.000 0.001 0.000 1.055 46 D CB 1.419 42.221 40.800 0.003 0.000 1.104 46 D HN -0.036 8.336 8.370 0.003 0.000 0.561 47 G N -1.662 107.141 108.800 0.004 0.000 2.501 47 G HA2 0.162 4.126 3.960 0.007 0.000 0.211 47 G HA3 0.162 4.124 3.960 0.005 0.000 0.211 47 G C -0.344 174.560 174.900 0.006 0.000 1.409 47 G CA 0.198 45.301 45.100 0.006 0.000 0.531 47 G HN -0.035 8.257 8.290 0.003 0.000 1.086 48 E N 2.251 122.454 120.200 0.004 0.000 2.384 48 E HA 0.138 4.491 4.350 0.005 0.000 0.266 48 E C -1.799 174.804 176.600 0.005 0.000 1.012 48 E CA -1.080 55.322 56.400 0.004 0.000 0.901 48 E CB 0.173 29.875 29.700 0.003 0.000 0.967 48 E HN -0.204 8.158 8.360 0.003 0.000 0.435 49 P HA 0.089 4.513 4.420 0.007 0.000 0.276 49 P C -0.771 176.532 177.300 0.005 0.000 1.230 49 P CA -0.274 62.829 63.100 0.006 0.000 0.776 49 P CB 0.966 32.669 31.700 0.006 0.000 0.888 50 G N 2.425 111.228 108.800 0.005 0.000 2.687 50 G HA2 0.195 4.157 3.960 0.004 0.000 0.222 50 G HA3 0.195 4.158 3.960 0.004 0.000 0.222 50 G C -1.749 173.153 174.900 0.004 0.000 1.445 50 G CA 0.188 45.291 45.100 0.004 0.000 0.836 50 G HN 0.342 8.636 8.290 0.006 0.000 0.598 51 P HA 0.050 4.472 4.420 0.003 0.000 0.276 51 P C -1.082 176.220 177.300 0.004 0.000 1.264 51 P CA -0.308 62.795 63.100 0.004 0.000 0.769 51 P CB 0.305 32.008 31.700 0.005 0.000 0.840 52 E N 4.945 125.148 120.200 0.003 0.000 2.349 52 E HA 0.097 4.449 4.350 0.004 0.000 0.265 52 E C -1.055 175.547 176.600 0.003 0.000 1.064 52 E CA -2.411 53.991 56.400 0.003 0.000 0.886 52 E CB 0.976 30.678 29.700 0.003 0.000 1.036 52 E HN 0.093 8.455 8.360 0.003 0.000 0.413 53 P HA 0.142 4.564 4.420 0.003 0.000 0.249 53 P C -1.170 176.131 177.300 0.002 0.000 1.229 53 P CA 0.261 63.363 63.100 0.003 0.000 0.788 53 P CB 0.591 32.294 31.700 0.004 0.000 1.072 54 E N -0.370 119.831 120.200 0.002 0.000 2.057 54 E HA 0.149 4.500 4.350 0.001 0.000 0.190 54 E C -1.253 175.347 176.600 0.001 0.000 0.969 54 E CA 0.248 56.648 56.400 0.001 0.000 0.812 54 E CB -1.197 28.503 29.700 0.001 0.000 0.777 54 E HN -0.056 8.218 8.360 0.002 0.087 0.455 55 P HA -0.111 4.309 4.420 0.000 0.000 0.267 55 P C -1.946 175.354 177.300 0.000 0.000 1.201 55 P CA 0.266 63.366 63.100 0.000 0.000 0.775 55 P CB 0.628 32.329 31.700 0.001 0.000 0.854 56 A N 2.093 124.912 122.820 -0.000 0.000 3.448 56 A HA 0.199 4.518 4.320 -0.000 0.000 0.232 56 A C -0.824 176.759 177.584 -0.001 0.000 1.018 56 A CA -0.034 52.003 52.037 -0.001 0.000 0.996 56 A CB 0.678 19.677 19.000 -0.001 0.000 1.283 56 A HN -0.036 8.113 8.150 -0.000 0.000 0.586 57 Q N -1.187 118.613 119.800 -0.000 0.000 0.503 57 Q HA -0.308 4.032 4.340 -0.000 0.000 0.219 57 Q C -1.223 174.777 176.000 -0.001 0.000 1.105 57 Q CA 0.649 56.452 55.803 -0.001 0.000 0.198 57 Q CB 0.279 29.017 28.738 -0.001 0.000 5.618 57 Q HN 0.098 8.368 8.270 -0.000 0.000 0.294 58 L N -0.304 120.919 121.223 -0.001 0.000 3.141 58 L HA 0.200 4.539 4.340 -0.001 0.000 0.267 58 L C -0.768 176.101 176.870 -0.001 0.000 1.281 58 L CA -0.557 54.283 54.840 -0.001 0.000 1.037 58 L CB -0.162 41.896 42.059 -0.001 0.000 1.407 58 L HN 0.204 8.434 8.230 -0.001 0.000 0.566 59 N N 0.378 119.077 118.700 -0.001 0.000 2.385 59 N HA -0.291 4.448 4.740 -0.002 0.000 0.290 59 N C -1.061 174.449 175.510 -0.001 0.000 1.440 59 N CA 0.900 53.949 53.050 -0.002 0.000 0.633 59 N CB -0.350 38.136 38.487 -0.002 0.000 0.927 59 N HN -0.353 7.954 8.380 -0.001 0.072 0.496 60 G N 2.036 110.836 108.800 -0.001 0.000 2.725 60 G HA2 0.049 4.009 3.960 -0.001 0.000 0.098 60 G HA3 0.049 4.009 3.960 -0.000 0.000 0.098 60 G C -1.519 173.381 174.900 -0.000 0.000 1.188 60 G CA 0.622 45.722 45.100 -0.001 0.000 1.237 60 G HN -0.268 8.126 8.290 -0.001 -0.105 0.596 61 A N 1.620 124.439 122.820 -0.000 0.000 1.346 61 A HA -0.339 3.982 4.320 0.000 0.000 0.342 61 A C -0.923 176.662 177.584 0.000 0.000 1.689 61 A CA 1.489 53.526 52.037 0.000 0.000 1.090 61 A CB -0.965 18.035 19.000 -0.000 0.000 1.472 61 A HN 0.213 8.363 8.150 -0.000 0.000 0.721 62 A N 0.846 123.666 122.820 0.000 0.000 2.305 62 A HA 0.252 4.573 4.320 0.001 0.000 0.322 62 A C -0.360 177.224 177.584 0.000 0.000 1.187 62 A CA -0.752 51.285 52.037 0.000 0.000 0.825 62 A CB 1.085 20.085 19.000 0.000 0.000 1.164 62 A HN -0.106 8.019 8.150 -0.000 0.024 0.498 63 E N 2.170 122.370 120.200 0.001 0.000 2.014 63 E HA 0.024 4.374 4.350 0.000 0.000 0.190 63 E C -0.750 175.850 176.600 0.001 0.000 0.980 63 E CA 1.471 57.871 56.400 0.001 0.000 0.807 63 E CB -1.166 28.534 29.700 0.001 0.000 0.770 63 E HN 0.531 8.892 8.360 0.001 0.000 0.451 64 P HA 0.064 4.485 4.420 0.001 0.000 0.307 64 P C -0.109 177.192 177.300 0.001 0.000 1.306 64 P CA -0.342 62.758 63.100 0.001 0.000 0.742 64 P CB 0.289 31.991 31.700 0.002 0.000 1.349 65 G N -1.482 107.319 108.800 0.001 0.000 2.601 65 G HA2 -0.284 3.676 3.960 0.001 0.000 0.261 65 G HA3 -0.284 3.676 3.960 0.001 0.000 0.261 65 G C -1.318 173.582 174.900 -0.001 0.000 1.289 65 G CA -0.469 44.631 45.100 0.001 0.000 0.920 65 G HN -0.068 8.223 8.290 0.002 0.000 0.571 66 A N 0.523 123.341 122.820 -0.003 0.000 2.758 66 A HA 0.139 4.456 4.320 -0.004 0.000 0.223 66 A C -1.913 175.667 177.584 -0.007 0.000 0.877 66 A CA 0.304 52.338 52.037 -0.005 0.000 1.152 66 A CB 0.797 19.793 19.000 -0.007 0.000 1.239 66 A HN 0.177 8.325 8.150 -0.003 0.000 0.470 67 A N -0.353 122.464 122.820 -0.005 0.000 2.596 67 A HA 0.310 4.627 4.320 -0.005 0.000 0.305 67 A C -3.484 174.098 177.584 -0.003 0.000 1.032 67 A CA -0.504 51.530 52.037 -0.005 0.000 0.776 67 A CB 0.831 19.826 19.000 -0.008 0.000 1.253 67 A HN -0.325 7.823 8.150 -0.003 0.000 0.402 68 P HA 0.244 4.663 4.420 -0.001 0.000 0.259 68 P C -2.280 175.020 177.300 -0.000 0.000 1.211 68 P CA -0.918 62.182 63.100 -0.001 0.000 0.810 68 P CB -0.469 31.231 31.700 -0.001 0.000 0.815 69 P HA -0.018 4.403 4.420 0.001 0.000 0.285 69 P C -1.419 175.882 177.300 0.001 0.000 1.282 69 P CA -0.501 62.599 63.100 0.001 0.000 0.778 69 P CB 0.706 32.407 31.700 0.002 0.000 1.222 70 Q N -4.315 115.486 119.800 0.001 0.000 2.460 70 Q HA -0.183 4.158 4.340 0.001 0.000 0.311 70 Q C -1.134 174.866 176.000 0.000 0.000 1.396 70 Q CA 0.526 56.329 55.803 0.001 0.000 0.838 70 Q CB -1.195 27.543 28.738 0.001 0.000 1.140 70 Q HN -0.014 8.258 8.270 0.002 0.000 0.415 71 L N 0.826 122.049 121.223 0.000 0.000 2.270 71 L HA 0.260 4.599 4.340 -0.000 0.000 0.286 71 L C -1.396 175.473 176.870 -0.002 0.000 1.059 71 L CA -1.451 53.389 54.840 -0.000 0.000 0.839 71 L CB 0.302 42.361 42.059 0.000 0.000 1.221 71 L HN -0.182 8.049 8.230 0.001 0.000 0.431 72 P HA 0.103 4.520 4.420 -0.006 0.000 0.272 72 P C -0.731 176.565 177.300 -0.007 0.000 1.230 72 P CA -0.519 62.578 63.100 -0.005 0.000 0.788 72 P CB 1.474 33.171 31.700 -0.005 0.000 0.949 73 E N 0.500 120.693 120.200 -0.011 0.000 2.068 73 E HA -0.074 4.270 4.350 -0.010 0.000 0.201 73 E C 1.507 178.097 176.600 -0.017 0.000 0.947 73 E CA 0.921 57.313 56.400 -0.013 0.000 0.909 73 E CB 0.079 29.769 29.700 -0.017 0.000 1.015 73 E HN 0.219 8.572 8.360 -0.012 0.000 0.484 74 A N -1.225 121.581 122.820 -0.024 0.000 3.941 74 A HA -0.278 4.017 4.320 -0.042 0.000 0.355 74 A C 0.904 178.468 177.584 -0.033 0.000 1.675 74 A CA 2.581 54.599 52.037 -0.033 0.000 0.874 74 A CB -1.663 17.321 19.000 -0.027 0.000 1.486 74 A HN 0.057 8.191 8.150 -0.025 0.000 0.583 75 L N -1.322 119.887 121.223 -0.024 0.000 2.857 75 L HA 0.053 4.377 4.340 -0.026 0.000 0.249 75 L C 0.203 177.067 176.870 -0.010 0.000 1.172 75 L CA 0.444 55.272 54.840 -0.020 0.000 0.980 75 L CB 0.750 42.800 42.059 -0.015 0.000 1.299 75 L HN -0.053 8.165 8.230 -0.019 0.000 0.535 76 L N -3.661 117.556 121.223 -0.009 0.000 2.731 76 L HA 0.143 4.483 4.340 0.001 0.000 0.240 76 L C 0.539 177.409 176.870 -0.001 0.000 1.120 76 L CA 0.004 54.842 54.840 -0.002 0.000 0.913 76 L CB 0.581 42.639 42.059 -0.001 0.000 1.213 76 L HN 0.137 8.148 8.230 -0.012 0.212 0.515 77 L N -5.888 115.331 121.223 -0.008 0.000 2.450 77 L HA -0.173 4.163 4.340 -0.007 0.000 0.224 77 L C -0.290 176.578 176.870 -0.002 0.000 1.149 77 L CA 0.386 55.220 54.840 -0.009 0.000 0.816 77 L CB -0.360 41.687 42.059 -0.020 0.000 0.932 77 L HN -0.716 7.506 8.230 -0.013 0.000 0.449 78 Q N 0.025 119.827 119.800 0.003 0.000 2.352 78 Q HA -0.102 4.246 4.340 0.013 0.000 0.260 78 Q C 0.145 176.162 176.000 0.029 0.000 0.976 78 Q CA 0.396 56.208 55.803 0.014 0.000 0.881 78 Q CB 0.720 29.465 28.738 0.011 0.000 1.235 78 Q HN -0.433 7.770 8.270 -0.000 0.067 0.419 79 R N -0.727 119.802 120.500 0.047 0.000 3.493 79 R HA -0.424 3.976 4.340 0.100 0.000 0.605 79 R C -1.631 174.714 176.300 0.074 0.000 0.241 79 R CA 1.282 57.424 56.100 0.070 0.000 1.865 79 R CB -0.724 29.607 30.300 0.052 0.000 0.883 79 R HN 0.123 8.421 8.270 0.047 0.000 0.616 80 R N 0.230 120.776 120.500 0.077 0.000 2.621 80 R HA 0.298 4.672 4.340 0.058 0.000 0.284 80 R C -1.697 174.627 176.300 0.039 0.000 0.998 80 R CA -1.029 55.112 56.100 0.069 0.000 0.895 80 R CB 3.899 34.267 30.300 0.112 0.000 1.195 80 R HN 0.218 8.531 8.270 0.072 0.000 0.450 81 R N 2.020 122.535 120.500 0.024 0.000 2.860 81 R HA 0.223 4.662 4.340 0.011 -0.093 0.282 81 R C -0.557 175.743 176.300 0.001 0.000 1.408 81 R CA -0.717 55.390 56.100 0.011 0.000 1.636 81 R CB -0.688 29.617 30.300 0.009 0.000 1.187 81 R HN 0.277 8.562 8.270 0.025 0.000 0.611 82 V N 2.523 122.435 119.914 -0.005 0.000 3.237 82 V HA -0.075 4.030 4.120 -0.025 0.000 0.305 82 V C -0.979 175.103 176.094 -0.021 0.000 1.096 82 V CA 0.402 62.689 62.300 -0.022 0.000 1.130 82 V CB 0.730 32.531 31.823 -0.038 0.000 1.048 82 V HN 0.026 8.216 8.190 0.001 0.000 0.484 83 T N 2.910 117.448 114.554 -0.027 0.000 2.900 83 T HA 0.250 4.722 4.350 -0.018 -0.133 0.303 83 T C -0.988 173.697 174.700 -0.026 0.000 1.142 83 T CA -1.077 61.010 62.100 -0.022 0.000 1.007 83 T CB 3.615 72.473 68.868 -0.016 0.000 1.156 83 T HN -0.071 8.147 8.240 -0.035 0.000 0.490 84 V N 1.894 121.796 119.914 -0.020 0.000 2.380 84 V HA 0.168 4.274 4.120 -0.023 0.000 0.272 84 V C -1.263 174.822 176.094 -0.015 0.000 1.011 84 V CA -0.587 61.701 62.300 -0.020 0.000 0.826 84 V CB 1.414 33.226 31.823 -0.019 0.000 1.040 84 V HN -0.207 7.925 8.190 -0.017 0.048 0.441 85 R N 7.508 128.000 120.500 -0.014 0.000 2.216 85 R HA 0.193 4.644 4.340 -0.010 -0.117 0.332 85 R C 0.422 176.716 176.300 -0.009 0.000 1.056 85 R CA -0.242 55.852 56.100 -0.011 0.000 0.901 85 R CB 0.224 30.518 30.300 -0.010 0.000 1.039 85 R HN 0.376 8.636 8.270 -0.016 0.000 0.456 86 K N 5.356 125.751 120.400 -0.009 0.000 2.228 86 K HA -0.057 4.503 4.320 -0.007 -0.244 0.202 86 K C 0.983 177.579 176.600 -0.006 0.000 1.051 86 K CA 2.331 58.613 56.287 -0.008 0.000 0.960 86 K CB 0.387 32.882 32.500 -0.008 0.000 0.743 86 K HN -0.080 8.058 8.250 -0.009 0.107 0.458 87 A N -3.324 119.492 122.820 -0.006 0.000 2.640 87 A HA 0.066 4.384 4.320 -0.004 0.000 0.282 87 A C -0.914 176.667 177.584 -0.004 0.000 1.357 87 A CA 0.211 52.245 52.037 -0.005 0.000 0.946 87 A CB -0.959 18.038 19.000 -0.005 0.000 1.065 87 A HN -0.251 7.872 8.150 -0.007 0.023 0.541 88 D N -1.988 118.409 120.400 -0.005 0.000 2.278 88 D HA -0.025 4.613 4.640 -0.003 0.000 0.228 88 D C 0.533 176.830 176.300 -0.004 0.000 1.364 88 D CA 0.665 54.662 54.000 -0.004 0.000 1.345 88 D CB 1.148 41.945 40.800 -0.005 0.000 1.961 88 D HN -0.322 7.943 8.370 -0.005 0.102 0.396 89 A N 0.614 123.430 122.820 -0.006 0.000 1.859 89 A HA 0.202 4.519 4.320 -0.005 0.000 0.212 89 A C 0.356 177.938 177.584 -0.004 0.000 1.238 89 A CA 1.262 53.295 52.037 -0.006 0.000 0.613 89 A CB 1.428 20.422 19.000 -0.010 0.000 0.904 89 A HN 0.190 8.236 8.150 -0.007 0.100 0.457 90 G N -2.728 106.069 108.800 -0.005 0.000 2.350 90 G HA2 -0.067 3.891 3.960 -0.003 0.000 0.276 90 G HA3 -0.067 3.892 3.960 -0.000 0.000 0.276 90 G C -2.031 172.867 174.900 -0.004 0.000 1.313 90 G CA -0.558 44.541 45.100 -0.003 0.000 0.903 90 G HN -0.403 7.883 8.290 -0.007 0.000 0.490 91 G N -2.470 106.329 108.800 -0.002 0.000 2.616 91 G HA2 0.180 4.136 3.960 -0.006 0.000 0.268 91 G HA3 0.180 4.138 3.960 -0.004 0.000 0.268 91 G C -1.775 173.124 174.900 -0.000 0.000 1.213 91 G CA -1.351 43.747 45.100 -0.003 0.000 0.926 91 G HN -0.102 8.188 8.290 0.000 0.000 0.523 92 L N -2.078 119.144 121.223 -0.002 0.000 2.334 92 L HA 0.366 4.711 4.340 0.008 0.000 0.273 92 L C -0.804 176.073 176.870 0.012 0.000 1.013 92 L CA -0.509 54.333 54.840 0.004 0.000 0.816 92 L CB 2.599 44.657 42.059 -0.002 0.000 1.278 92 L HN -0.031 8.195 8.230 -0.006 0.000 0.431 93 G N 3.594 112.416 108.800 0.037 0.000 3.829 93 G HA2 0.220 4.192 3.960 0.021 0.000 0.289 93 G HA3 0.220 4.222 3.960 0.069 0.000 0.289 93 G C -1.872 173.114 174.900 0.143 0.000 1.274 93 G CA -0.053 45.084 45.100 0.062 0.000 0.698 93 G HN 0.059 8.374 8.290 0.042 0.000 0.488 94 I N -3.170 117.473 120.570 0.121 0.000 2.910 94 I HA 0.346 4.774 4.170 0.228 -0.120 0.310 94 I C -2.388 173.850 176.117 0.203 0.000 1.043 94 I CA -2.289 59.113 61.300 0.169 0.000 1.053 94 I CB 3.200 41.255 38.000 0.092 0.000 1.242 94 I HN -0.523 7.729 8.210 0.069 0.000 0.452 95 S N 2.276 118.121 115.700 0.242 0.000 2.577 95 S HA 0.333 4.925 4.470 0.204 0.000 0.294 95 S C -0.922 173.776 174.600 0.163 0.000 1.161 95 S CA -1.910 56.433 58.200 0.237 0.000 1.143 95 S CB 0.051 63.466 63.200 0.359 0.000 0.991 95 S HN 0.356 8.638 8.310 0.207 0.152 0.475 96 I N 1.558 122.230 120.570 0.169 0.000 3.110 96 I HA 0.430 4.855 4.170 0.123 -0.182 0.314 96 I C -0.942 175.345 176.117 0.282 0.000 1.020 96 I CA -1.550 59.863 61.300 0.189 0.000 1.169 96 I CB 1.893 39.994 38.000 0.168 0.000 1.437 96 I HN -0.016 8.289 8.210 0.159 0.000 0.595 97 K N -0.623 119.866 120.400 0.150 0.000 2.557 97 K HA 0.387 4.239 4.320 -0.781 0.000 0.257 97 K C -1.458 175.031 176.600 -0.185 0.000 0.933 97 K CA -0.274 55.878 56.287 -0.225 0.000 0.820 97 K CB 4.682 37.091 32.500 -0.153 0.000 1.330 97 K HN 0.074 8.406 8.250 0.137 0.000 0.432 98 G N 0.291 108.836 108.800 -0.426 0.000 2.559 98 G HA2 0.587 4.506 3.960 -0.069 0.000 0.291 98 G HA3 0.587 4.586 3.960 0.065 0.000 0.291 98 G C -2.085 172.764 174.900 -0.084 0.000 1.424 98 G CA 0.151 45.194 45.100 -0.094 0.000 0.786 98 G HN -0.047 7.562 8.290 -1.136 0.000 0.485 99 G N -2.309 106.487 108.800 -0.006 0.000 4.193 99 G HA2 0.257 4.237 3.960 0.032 0.000 0.265 99 G HA3 0.257 4.207 3.960 -0.018 0.000 0.265 99 G C -1.138 173.772 174.900 0.017 0.000 3.257 99 G CA 0.040 45.143 45.100 0.006 0.000 0.596 99 G HN 0.410 8.593 8.290 0.007 0.112 0.281 100 R N 1.720 122.239 120.500 0.031 0.000 2.285 100 R HA -0.229 4.189 4.340 0.019 -0.067 0.213 100 R C 0.700 177.012 176.300 0.019 0.000 1.068 100 R CA 2.207 58.321 56.100 0.024 0.000 1.004 100 R CB -0.222 30.094 30.300 0.027 0.000 0.873 100 R HN 0.274 8.573 8.270 0.048 0.000 0.467 101 E N -2.423 117.789 120.200 0.020 0.000 2.187 101 E HA -0.279 4.081 4.350 0.016 0.000 0.199 101 E C 0.415 177.022 176.600 0.011 0.000 1.004 101 E CA 2.302 58.711 56.400 0.016 0.000 0.813 101 E CB -0.412 29.298 29.700 0.016 0.000 0.736 101 E HN 0.270 8.578 8.360 0.025 0.066 0.468 102 N N -3.219 115.486 118.700 0.009 0.000 2.905 102 N HA 0.007 4.751 4.740 0.007 0.000 0.237 102 N C -0.065 175.450 175.510 0.008 0.000 1.017 102 N CA 1.262 54.316 53.050 0.007 0.000 1.127 102 N CB 2.103 40.593 38.487 0.005 0.000 1.608 102 N HN -0.668 7.686 8.380 0.010 0.033 0.522 103 K N -3.438 116.967 120.400 0.008 0.000 3.020 103 K HA 0.065 4.391 4.320 0.011 0.000 0.133 103 K C -1.714 174.891 176.600 0.008 0.000 1.033 103 K CA -0.020 56.272 56.287 0.009 0.000 1.091 103 K CB -0.687 31.818 32.500 0.009 0.000 0.737 103 K HN -0.369 7.885 8.250 0.006 0.000 0.374 104 M N 4.476 124.080 119.600 0.006 0.000 2.080 104 M HA 0.365 4.846 4.480 0.002 0.000 0.350 104 M C -2.525 173.780 176.300 0.009 0.000 1.143 104 M CA -2.835 52.467 55.300 0.002 0.000 1.064 104 M CB 1.643 34.237 32.600 -0.011 0.000 1.429 104 M HN -0.080 8.137 8.290 0.007 0.077 0.418 105 P HA 0.098 4.532 4.420 0.024 0.000 0.272 105 P C -1.077 176.237 177.300 0.024 0.000 1.223 105 P CA -1.011 62.100 63.100 0.018 0.000 0.784 105 P CB 1.019 32.727 31.700 0.014 0.000 0.923 106 I N 0.084 120.679 120.570 0.043 0.000 2.496 106 I HA -0.058 4.318 4.170 0.088 -0.152 0.285 106 I C -0.481 175.661 176.117 0.041 0.000 1.080 106 I CA -1.300 60.042 61.300 0.071 0.000 1.404 106 I CB -1.755 36.303 38.000 0.097 0.000 1.403 106 I HN 0.289 8.523 8.210 0.041 0.000 0.539 107 L N 4.807 126.053 121.223 0.039 0.000 2.403 107 L HA 0.643 5.148 4.340 -0.001 -0.166 0.253 107 L C -0.726 176.156 176.870 0.021 0.000 1.045 107 L CA -1.117 53.728 54.840 0.008 0.000 0.845 107 L CB 4.509 46.557 42.059 -0.018 0.000 1.447 107 L HN 0.109 8.372 8.230 0.055 0.000 0.411 108 I N 0.290 120.860 120.570 -0.000 0.000 2.505 108 I HA -0.078 4.115 4.170 0.038 0.000 0.287 108 I C -0.418 175.710 176.117 0.018 0.000 1.104 108 I CA -0.188 61.122 61.300 0.017 0.000 1.387 108 I CB -2.221 35.784 38.000 0.007 0.000 1.404 108 I HN 0.128 8.322 8.210 -0.027 0.000 0.528 109 S N 7.478 123.202 115.700 0.039 0.000 2.492 109 S HA 0.090 4.565 4.470 0.008 0.000 0.218 109 S C -0.574 174.040 174.600 0.023 0.000 1.016 109 S CA 1.002 59.218 58.200 0.027 0.000 0.916 109 S CB 1.543 64.764 63.200 0.037 0.000 0.791 109 S HN 0.054 8.401 8.310 0.062 0.000 0.513 110 K N -0.782 119.643 120.400 0.043 0.000 2.685 110 K HA 0.169 4.478 4.320 -0.019 0.000 0.290 110 K C -2.078 174.553 176.600 0.051 0.000 1.018 110 K CA 0.026 56.318 56.287 0.009 0.000 0.860 110 K CB 3.447 35.918 32.500 -0.048 0.000 1.498 110 K HN -0.628 7.661 8.250 0.065 0.000 0.390 111 I N 1.391 121.967 120.570 0.010 0.000 2.833 111 I HA 0.188 4.419 4.170 0.102 0.000 0.286 111 I C -1.962 174.189 176.117 0.056 0.000 1.287 111 I CA -1.280 60.057 61.300 0.062 0.000 1.046 111 I CB -0.045 37.996 38.000 0.068 0.000 1.612 111 I HN 0.387 8.561 8.210 -0.059 0.000 0.585 112 F N 4.425 124.389 119.950 0.024 0.000 2.604 112 F HA -0.341 4.199 4.527 0.020 0.000 0.390 112 F C 0.428 176.239 175.800 0.018 0.000 1.053 112 F CA 2.140 60.151 58.000 0.019 0.000 1.256 112 F CB 0.473 39.482 39.000 0.015 0.000 0.996 112 F HN -0.214 8.287 8.300 0.334 0.000 0.564 113 K N 2.910 123.413 120.400 0.171 0.000 1.929 113 K HA -0.347 4.022 4.320 0.081 0.000 0.545 113 K C 0.452 177.099 176.600 0.079 0.000 1.695 113 K CA 1.342 57.697 56.287 0.114 0.000 1.020 113 K CB 0.153 32.731 32.500 0.129 0.000 1.614 113 K HN 0.133 8.455 8.250 0.120 0.000 0.730 114 G N -1.619 107.218 108.800 0.061 0.000 4.126 114 G HA2 0.111 4.172 3.960 0.050 0.000 0.282 114 G HA3 0.111 4.121 3.960 0.041 -0.026 0.282 114 G C -1.125 173.799 174.900 0.039 0.000 1.221 114 G CA -0.903 44.225 45.100 0.048 0.000 1.527 114 G HN 0.057 8.382 8.290 0.059 0.000 0.612 115 L N 0.161 121.411 121.223 0.044 0.000 2.682 115 L HA -0.052 4.303 4.340 0.025 0.000 0.209 115 L C 0.903 177.780 176.870 0.013 0.000 1.195 115 L CA -0.349 54.509 54.840 0.030 0.000 0.869 115 L CB 0.548 42.629 42.059 0.037 0.000 1.599 115 L HN -0.889 7.319 8.230 0.059 0.057 0.518 116 A N -0.176 122.647 122.820 0.004 0.000 1.958 116 A HA -0.428 3.885 4.320 -0.011 0.000 0.221 116 A C 1.313 178.882 177.584 -0.025 0.000 1.178 116 A CA 3.358 55.389 52.037 -0.010 0.000 0.642 116 A CB -0.816 18.178 19.000 -0.011 0.000 0.816 116 A HN 0.627 8.781 8.150 0.007 0.000 0.453 117 A N -4.255 118.555 122.820 -0.017 0.000 2.019 117 A HA -0.178 4.106 4.320 -0.059 0.000 0.219 117 A C 0.613 178.160 177.584 -0.062 0.000 1.164 117 A CA 2.291 54.305 52.037 -0.038 0.000 0.644 117 A CB -0.542 18.454 19.000 -0.006 0.000 0.805 117 A HN 0.201 8.333 8.150 -0.001 0.018 0.449 118 D N -2.441 117.946 120.400 -0.022 0.000 2.106 118 D HA -0.184 4.456 4.640 -0.000 0.000 0.203 118 D C 1.987 178.269 176.300 -0.030 0.000 0.977 118 D CA 2.468 56.465 54.000 -0.005 0.000 0.844 118 D CB 0.773 41.593 40.800 0.034 0.000 1.002 118 D HN -0.258 7.939 8.370 -0.002 0.172 0.461 119 Q N -4.399 115.390 119.800 -0.020 0.000 2.297 119 Q HA -0.226 4.114 4.340 0.000 0.000 0.208 119 Q C 1.358 177.325 176.000 -0.055 0.000 0.981 119 Q CA 1.946 57.737 55.803 -0.019 0.000 0.876 119 Q CB -0.290 28.442 28.738 -0.009 0.000 0.921 119 Q HN -0.440 7.824 8.270 -0.010 0.000 0.446 120 T N -0.102 114.394 114.554 -0.096 0.000 3.688 120 T HA 0.142 4.433 4.350 -0.097 0.000 0.307 120 T C 0.210 174.743 174.700 -0.279 0.000 1.382 120 T CA -1.662 60.356 62.100 -0.137 0.000 1.136 120 T CB -1.301 67.498 68.868 -0.116 0.000 1.207 120 T HN -0.465 7.679 8.240 -0.087 0.043 0.854 121 E N 4.602 124.649 120.200 -0.255 0.000 2.233 121 E HA -0.520 3.318 4.350 -0.853 0.000 0.199 121 E C 0.628 176.913 176.600 -0.524 0.000 1.004 121 E CA 3.285 59.421 56.400 -0.439 0.000 0.819 121 E CB -1.188 28.503 29.700 -0.015 0.000 0.738 121 E HN -0.372 7.873 8.360 -0.130 0.037 0.478 122 A N -0.360 122.314 122.820 -0.244 0.000 1.997 122 A HA -0.197 4.097 4.320 -0.044 0.000 0.221 122 A C 0.084 177.570 177.584 -0.163 0.000 1.172 122 A CA 1.954 53.914 52.037 -0.129 0.000 0.645 122 A CB -0.275 18.679 19.000 -0.077 0.000 0.813 122 A HN 0.041 8.042 8.150 -0.180 0.041 0.454 123 L N -4.316 116.696 121.223 -0.352 0.000 2.322 123 L HA 0.192 4.467 4.340 -0.108 0.000 0.269 123 L C -2.036 174.505 176.870 -0.548 0.000 1.012 123 L CA -0.725 53.947 54.840 -0.280 0.000 0.815 123 L CB 3.004 44.958 42.059 -0.175 0.000 1.295 123 L HN -0.213 7.604 8.230 -0.438 0.150 0.438 124 F N -2.309 117.649 119.950 0.012 0.000 2.770 124 F HA 0.117 4.650 4.527 0.011 0.000 0.313 124 F C -1.233 174.537 175.800 -0.050 0.000 1.154 124 F CA -1.011 56.992 58.000 0.004 0.000 0.923 124 F CB 3.570 42.606 39.000 0.059 0.000 1.301 124 F HN -0.204 8.107 8.300 0.018 0.000 0.449 125 V N 3.291 123.335 119.914 0.216 0.000 2.278 125 V HA -0.162 3.984 4.120 0.044 0.000 0.235 125 V C -0.480 175.612 176.094 -0.004 0.000 1.281 125 V CA 1.450 63.790 62.300 0.067 0.000 1.351 125 V CB -1.461 30.389 31.823 0.044 0.000 1.411 125 V HN 0.278 8.655 8.190 0.311 0.000 0.491 126 G N 5.428 114.178 108.800 -0.082 0.000 4.154 126 G HA2 -0.066 3.813 3.960 -0.134 0.000 0.228 126 G HA3 -0.066 3.770 3.960 -0.206 0.000 0.228 126 G C -2.347 172.303 174.900 -0.418 0.000 2.157 126 G CA 0.446 45.425 45.100 -0.203 0.000 1.088 126 G HN 0.253 8.475 8.290 -0.070 0.026 0.506 127 D N -1.112 119.129 120.400 -0.265 0.000 2.756 127 D HA 0.380 4.814 4.640 -0.344 0.000 0.226 127 D C -2.590 173.646 176.300 -0.107 0.000 1.186 127 D CA -0.328 53.519 54.000 -0.255 0.000 0.845 127 D CB 4.801 45.469 40.800 -0.219 0.000 1.610 127 D HN -0.723 7.556 8.370 -0.152 0.000 0.465 128 A N 2.291 125.069 122.820 -0.070 0.000 2.271 128 A HA 0.794 5.283 4.320 -0.018 -0.180 0.317 128 A C -0.502 177.077 177.584 -0.007 0.000 1.245 128 A CA -1.917 50.105 52.037 -0.024 0.000 0.857 128 A CB 1.901 20.894 19.000 -0.012 0.000 1.175 128 A HN 0.140 8.244 8.150 -0.076 0.000 0.512 129 I N 3.522 124.093 120.570 0.001 0.000 3.004 129 I HA -0.232 4.057 4.170 0.002 -0.118 0.287 129 I C 0.166 176.289 176.117 0.009 0.000 1.144 129 I CA 1.906 63.208 61.300 0.005 0.000 1.353 129 I CB 0.425 38.428 38.000 0.005 0.000 1.417 129 I HN -0.270 7.943 8.210 0.005 0.000 0.602 130 L N -3.807 117.421 121.223 0.008 0.000 1.967 130 L HA 0.377 4.723 4.340 0.010 0.000 0.222 130 L C -1.036 175.838 176.870 0.007 0.000 1.189 130 L CA 1.382 56.227 54.840 0.009 0.000 1.303 130 L CB 1.536 43.602 42.059 0.012 0.000 2.607 130 L HN -0.158 8.075 8.230 0.006 0.000 0.524 131 S N 2.131 117.835 115.700 0.006 0.000 2.601 131 S HA 0.386 5.030 4.470 0.003 -0.172 0.312 131 S C -1.093 173.508 174.600 0.001 0.000 1.107 131 S CA -0.505 57.698 58.200 0.004 0.000 1.129 131 S CB 0.781 63.985 63.200 0.007 0.000 0.982 131 S HN -0.495 7.819 8.310 0.008 0.000 0.469 132 V N 4.590 124.503 119.914 -0.002 0.000 2.732 132 V HA 0.261 4.576 4.120 -0.005 -0.198 0.310 132 V C 0.716 176.807 176.094 -0.005 0.000 1.053 132 V CA -2.534 59.764 62.300 -0.005 0.000 0.957 132 V CB 2.111 33.929 31.823 -0.008 0.000 1.018 132 V HN -0.075 8.114 8.190 -0.002 0.000 0.452 133 N N 4.041 122.737 118.700 -0.006 0.000 2.693 133 N HA -0.450 4.286 4.740 -0.006 0.000 0.250 133 N C -0.032 175.475 175.510 -0.004 0.000 1.033 133 N CA 1.232 54.279 53.050 -0.006 0.000 0.747 133 N CB -0.314 38.169 38.487 -0.008 0.000 0.964 133 N HN 0.582 8.840 8.380 -0.007 0.117 0.540 134 G N -4.199 104.600 108.800 -0.002 0.000 2.353 134 G HA2 -0.464 3.496 3.960 0.001 0.000 0.294 134 G HA3 -0.464 3.495 3.960 -0.001 0.000 0.294 134 G C -1.602 173.298 174.900 -0.001 0.000 1.077 134 G CA 0.347 45.446 45.100 -0.001 0.000 1.098 134 G HN -0.035 8.225 8.290 -0.002 0.029 0.511 135 E N -1.431 118.768 120.200 -0.000 0.000 2.539 135 E HA -0.030 4.320 4.350 0.001 0.000 0.332 135 E C -2.373 174.227 176.600 0.000 0.000 0.910 135 E CA -1.204 55.196 56.400 -0.000 0.000 0.785 135 E CB 3.220 32.919 29.700 -0.002 0.000 1.406 135 E HN -0.676 7.683 8.360 -0.000 0.000 0.391 136 D N 4.376 124.777 120.400 0.002 0.000 2.363 136 D HA 0.098 4.968 4.640 0.004 -0.227 0.263 136 D C 0.920 177.222 176.300 0.003 0.000 1.258 136 D CA 0.779 54.782 54.000 0.004 0.000 0.907 136 D CB 0.297 41.100 40.800 0.006 0.000 1.107 136 D HN 0.355 8.727 8.370 0.003 0.000 0.495 137 L N 1.713 122.937 121.223 0.003 0.000 3.017 137 L HA 0.523 4.864 4.340 0.002 0.000 0.255 137 L C -0.169 176.704 176.870 0.006 0.000 1.247 137 L CA -1.107 53.734 54.840 0.002 0.000 1.038 137 L CB -0.640 41.417 42.059 -0.002 0.000 1.380 137 L HN 0.832 8.954 8.230 0.003 0.109 0.548 138 S N 1.370 117.075 115.700 0.008 0.000 2.423 138 S HA -0.374 4.104 4.470 0.013 0.000 0.238 138 S C 0.494 175.102 174.600 0.012 0.000 1.028 138 S CA 3.470 61.676 58.200 0.011 0.000 1.000 138 S CB 0.049 63.256 63.200 0.011 0.000 0.797 138 S HN -0.211 8.173 8.310 0.007 -0.069 0.487 139 S N -2.055 113.651 115.700 0.010 0.000 2.582 139 S HA 0.155 4.632 4.470 0.012 0.000 0.249 139 S C -0.952 173.654 174.600 0.009 0.000 1.072 139 S CA -0.509 57.697 58.200 0.010 0.000 1.115 139 S CB -0.321 62.883 63.200 0.008 0.000 0.790 139 S HN -0.318 7.952 8.310 0.008 0.044 0.459 140 A N 2.067 124.894 122.820 0.011 0.000 2.815 140 A HA 0.324 4.649 4.320 0.008 0.000 0.318 140 A C -1.238 176.357 177.584 0.018 0.000 1.186 140 A CA -0.573 51.470 52.037 0.009 0.000 0.754 140 A CB 0.667 19.667 19.000 0.001 0.000 1.151 140 A HN -0.374 7.681 8.150 0.013 0.102 0.452 141 T N 1.210 115.781 114.554 0.029 0.000 2.623 141 T HA -0.389 3.996 4.350 0.058 0.000 0.359 141 T C 0.816 175.562 174.700 0.077 0.000 1.077 141 T CA -0.131 62.002 62.100 0.055 0.000 1.075 141 T CB 0.836 69.737 68.868 0.055 0.000 0.999 141 T HN -0.520 7.734 8.240 0.023 0.000 0.548 142 H N 1.737 120.808 119.070 0.002 0.000 2.266 142 H HA -0.563 3.994 4.556 0.002 0.000 0.286 142 H C 1.628 176.957 175.328 0.002 0.000 1.102 142 H CA 4.499 60.549 56.048 0.002 0.000 1.182 142 H CB 0.162 29.926 29.762 0.004 0.000 1.345 142 H HN 0.632 9.027 8.280 0.192 0.000 0.485 143 D N -1.795 118.580 120.400 -0.042 0.000 2.157 143 D HA -0.368 4.160 4.640 -0.186 0.000 0.191 143 D C 2.491 178.729 176.300 -0.103 0.000 1.004 143 D CA 4.031 57.970 54.000 -0.103 0.000 0.854 143 D CB -0.633 40.158 40.800 -0.013 0.000 0.936 143 D HN 0.368 8.804 8.370 0.110 0.000 0.446 144 E N -1.789 118.380 120.200 -0.052 0.000 2.204 144 E HA -0.255 4.071 4.350 -0.040 0.000 0.195 144 E C 2.061 178.627 176.600 -0.057 0.000 0.990 144 E CA 2.365 58.740 56.400 -0.041 0.000 0.821 144 E CB -0.490 29.201 29.700 -0.016 0.000 0.750 144 E HN -0.309 8.038 8.360 -0.022 -0.000 0.477 145 A N -0.331 122.441 122.820 -0.079 0.000 1.898 145 A HA -0.195 4.100 4.320 -0.043 0.000 0.216 145 A C 2.247 179.768 177.584 -0.106 0.000 1.181 145 A CA 3.020 55.011 52.037 -0.077 0.000 0.620 145 A CB -0.777 18.188 19.000 -0.059 0.000 0.819 145 A HN 0.051 7.982 8.150 -0.085 0.167 0.442 146 V N -0.385 119.423 119.914 -0.176 0.000 2.261 146 V HA -0.539 3.504 4.120 -0.129 0.000 0.246 146 V C 2.406 178.446 176.094 -0.089 0.000 1.047 146 V CA 4.483 66.693 62.300 -0.150 0.000 1.015 146 V CB -0.594 31.111 31.823 -0.197 0.000 0.642 146 V HN -0.341 7.617 8.190 -0.243 0.087 0.446 147 Q N -1.881 117.872 119.800 -0.079 0.000 2.170 147 Q HA -0.363 3.948 4.340 -0.048 0.000 0.203 147 Q C 2.599 178.574 176.000 -0.041 0.000 0.976 147 Q CA 2.989 58.761 55.803 -0.052 0.000 0.858 147 Q CB -0.833 27.878 28.738 -0.043 0.000 0.907 147 Q HN -0.341 7.872 8.270 -0.094 0.000 0.433 148 A N -0.319 122.476 122.820 -0.042 0.000 1.877 148 A HA -0.250 4.055 4.320 -0.024 0.000 0.216 148 A C 1.955 179.523 177.584 -0.027 0.000 1.186 148 A CA 3.133 55.152 52.037 -0.030 0.000 0.620 148 A CB -0.376 18.608 19.000 -0.027 0.000 0.822 148 A HN -0.006 8.001 8.150 -0.052 0.112 0.443 149 L N -7.412 113.792 121.223 -0.033 0.000 2.477 149 L HA 0.232 4.559 4.340 -0.022 0.000 0.220 149 L C 0.761 177.614 176.870 -0.028 0.000 1.106 149 L CA 1.643 56.466 54.840 -0.027 0.000 0.851 149 L CB -0.242 41.801 42.059 -0.026 0.000 0.994 149 L HN -0.636 7.569 8.230 -0.041 0.000 0.462 150 K N -1.314 119.066 120.400 -0.034 0.000 2.098 150 K HA -0.187 4.115 4.320 -0.030 0.000 0.203 150 K C 1.282 177.866 176.600 -0.027 0.000 1.051 150 K CA 2.346 58.613 56.287 -0.033 0.000 0.957 150 K CB 0.320 32.796 32.500 -0.041 0.000 0.738 150 K HN 0.299 8.299 8.250 -0.040 0.225 0.447 151 K N -3.942 116.443 120.400 -0.026 0.000 2.211 151 K HA -0.138 4.170 4.320 -0.020 0.000 0.203 151 K C 0.951 177.540 176.600 -0.017 0.000 1.050 151 K CA 1.357 57.632 56.287 -0.021 0.000 0.945 151 K CB -0.066 32.422 32.500 -0.020 0.000 0.732 151 K HN -0.316 7.805 8.250 -0.029 0.113 0.451 152 T N 1.786 116.329 114.554 -0.018 0.000 2.616 152 T HA -0.226 4.116 4.350 -0.013 0.000 0.327 152 T C -0.697 173.994 174.700 -0.014 0.000 1.049 152 T CA 1.678 63.769 62.100 -0.015 0.000 1.022 152 T CB 0.631 69.490 68.868 -0.015 0.000 1.009 152 T HN -0.762 7.441 8.240 -0.020 0.025 0.535 153 G N -2.251 106.542 108.800 -0.012 0.000 2.442 153 G HA2 -0.058 3.895 3.960 -0.012 0.000 0.296 153 G HA3 -0.058 3.896 3.960 -0.011 0.000 0.296 153 G C -1.038 173.856 174.900 -0.010 0.000 1.564 153 G CA 0.135 45.229 45.100 -0.011 0.000 0.828 153 G HN -0.313 7.970 8.290 -0.011 0.000 0.571 154 K N -1.168 119.226 120.400 -0.009 0.000 4.528 154 K HA -0.375 3.940 4.320 -0.007 0.000 0.441 154 K C -2.156 174.439 176.600 -0.008 0.000 0.390 154 K CA 2.007 58.289 56.287 -0.008 0.000 1.912 154 K CB -0.101 32.394 32.500 -0.007 0.000 0.729 154 K HN 0.378 8.623 8.250 -0.009 0.000 0.541 155 E N -2.925 117.269 120.200 -0.009 0.000 2.499 155 E HA 0.197 4.680 4.350 -0.010 -0.139 0.327 155 E C -1.671 174.923 176.600 -0.010 0.000 0.929 155 E CA -0.989 55.405 56.400 -0.009 0.000 0.788 155 E CB 1.890 31.585 29.700 -0.008 0.000 1.452 155 E HN -0.351 7.897 8.360 -0.009 0.107 0.387 156 V N 5.164 125.071 119.914 -0.012 0.000 2.247 156 V HA 0.192 4.305 4.120 -0.011 0.000 0.262 156 V C -1.067 175.020 176.094 -0.013 0.000 1.096 156 V CA -1.983 60.310 62.300 -0.013 0.000 0.895 156 V CB -0.912 30.902 31.823 -0.014 0.000 1.141 156 V HN 0.703 8.750 8.190 -0.013 0.136 0.478 157 V N 8.860 128.768 119.914 -0.010 0.000 2.341 157 V HA -0.159 4.098 4.120 -0.011 -0.143 0.248 157 V C -0.549 175.541 176.094 -0.008 0.000 1.107 157 V CA 0.300 62.594 62.300 -0.009 0.000 1.069 157 V CB -0.733 31.086 31.823 -0.006 0.000 1.177 157 V HN -0.144 8.040 8.190 -0.009 0.000 0.492 158 L N 10.018 131.235 121.223 -0.010 0.000 2.290 158 L HA 0.054 4.390 4.340 -0.007 0.000 0.284 158 L C -1.938 174.930 176.870 -0.003 0.000 1.078 158 L CA -0.196 54.639 54.840 -0.008 0.000 0.815 158 L CB 1.382 43.433 42.059 -0.013 0.000 1.162 158 L HN -0.149 7.994 8.230 -0.014 0.078 0.435 159 E N 4.923 125.124 120.200 0.002 0.000 2.073 159 E HA 0.563 5.131 4.350 0.012 -0.211 0.269 159 E C -0.641 175.967 176.600 0.013 0.000 0.917 159 E CA -1.672 54.733 56.400 0.009 0.000 0.757 159 E CB 1.546 31.252 29.700 0.010 0.000 1.111 159 E HN 0.492 8.746 8.360 0.001 0.107 0.410 160 V N 0.230 120.155 119.914 0.018 0.000 3.096 160 V HA 0.904 5.186 4.120 0.011 -0.155 0.319 160 V C -2.003 174.114 176.094 0.039 0.000 1.103 160 V CA -3.346 58.964 62.300 0.016 0.000 1.016 160 V CB 3.637 35.458 31.823 -0.003 0.000 1.090 160 V HN 0.262 8.465 8.190 0.022 0.000 0.449 161 K N 0.147 120.566 120.400 0.032 0.000 2.426 161 K HA 0.334 4.713 4.320 0.100 0.000 0.254 161 K C -1.244 175.398 176.600 0.069 0.000 0.936 161 K CA -1.636 54.692 56.287 0.067 0.000 0.801 161 K CB 3.849 36.380 32.500 0.051 0.000 1.139 161 K HN 0.157 8.302 8.250 0.008 0.110 0.424 162 Y N 6.509 126.826 120.300 0.029 0.000 2.601 162 Y HA -0.151 4.505 4.550 0.039 -0.082 0.350 162 Y C -0.483 175.433 175.900 0.026 0.000 1.230 162 Y CA 1.234 59.354 58.100 0.033 0.000 1.733 162 Y CB -0.862 37.619 38.460 0.035 0.000 1.497 162 Y HN 0.524 8.977 8.280 0.288 0.000 0.472 163 M N 5.230 124.862 119.600 0.053 0.000 2.162 163 M HA -0.006 4.522 4.480 0.079 0.000 0.356 163 M C -0.525 175.816 176.300 0.068 0.000 1.303 163 M CA 1.145 56.478 55.300 0.057 0.000 1.116 163 M CB 0.547 33.158 32.600 0.017 0.000 1.632 163 M HN -0.018 8.242 8.290 -0.050 0.000 0.469 164 K N 2.559 123.009 120.400 0.083 0.000 2.941 164 K HA 0.120 4.473 4.320 0.056 0.000 0.249 164 K C 0.127 176.760 176.600 0.055 0.000 2.165 164 K CA 0.336 56.667 56.287 0.074 0.000 1.282 164 K CB 1.040 33.607 32.500 0.111 0.000 2.449 164 K HN 0.510 8.809 8.250 0.082 0.000 0.426 165 E N 0.541 120.775 120.200 0.058 0.000 2.598 165 E HA 0.259 4.639 4.350 0.050 0.000 0.233 165 E C -0.146 176.489 176.600 0.059 0.000 1.173 165 E CA -0.312 56.119 56.400 0.052 0.000 1.473 165 E CB -0.184 29.542 29.700 0.043 0.000 1.398 165 E HN 0.287 8.687 8.360 0.067 0.000 0.431 166 V N -1.670 118.280 119.914 0.059 0.000 2.626 166 V HA -0.250 3.901 4.120 0.051 0.000 0.252 166 V C 0.259 176.388 176.094 0.058 0.000 1.067 166 V CA 1.264 63.597 62.300 0.055 0.000 1.081 166 V CB 0.216 32.069 31.823 0.049 0.000 0.686 166 V HN -0.232 7.918 8.190 0.058 0.075 0.468 167 S N -0.055 115.689 115.700 0.074 0.000 2.505 167 S HA 0.305 4.815 4.470 0.068 0.000 0.280 167 S C -1.897 172.786 174.600 0.138 0.000 1.197 167 S CA -2.269 55.984 58.200 0.089 0.000 1.138 167 S CB 0.500 63.755 63.200 0.092 0.000 1.010 167 S HN -0.346 7.983 8.310 0.076 0.026 0.480 168 P HA -0.057 4.460 4.420 0.161 0.000 0.270 168 P C -1.255 176.195 177.300 0.250 0.000 1.227 168 P CA -0.156 63.040 63.100 0.160 0.000 0.788 168 P CB 0.567 32.330 31.700 0.106 0.000 0.926 169 Y N -0.004 120.342 120.300 0.077 0.000 2.352 169 Y HA 0.078 4.688 4.550 0.101 0.000 0.339 169 Y C -0.167 175.863 175.900 0.216 0.000 0.992 169 Y CA -0.451 57.719 58.100 0.118 0.000 1.100 169 Y CB 1.533 40.053 38.460 0.101 0.000 1.192 169 Y HN -0.025 8.444 8.280 0.315 0.000 0.458 170 F N 3.395 123.298 119.950 -0.078 0.000 2.176 170 F HA -0.429 4.043 4.527 -0.091 0.000 0.326 170 F C -1.274 174.522 175.800 -0.007 0.000 1.164 170 F CA 0.662 58.637 58.000 -0.041 0.000 0.945 170 F CB 0.662 39.674 39.000 0.020 0.000 4.064 170 F HN 0.080 8.315 8.300 -0.109 0.000 0.208 171 K N 2.763 123.051 120.400 -0.185 0.000 2.310 171 K HA -0.028 4.274 4.320 -0.029 0.000 0.290 171 K C -0.815 175.847 176.600 0.103 0.000 1.077 171 K CA 0.748 56.996 56.287 -0.064 0.000 0.922 171 K CB 0.053 32.448 32.500 -0.174 0.000 1.057 171 K HN 0.134 7.930 8.250 -0.757 0.000 0.479 172 N N 2.336 121.099 118.700 0.106 0.000 2.423 172 N HA 0.029 4.834 4.740 0.108 0.000 0.262 172 N C -1.414 174.140 175.510 0.072 0.000 1.467 172 N CA 0.030 53.148 53.050 0.113 0.000 0.847 172 N CB 0.373 38.950 38.487 0.150 0.000 1.394 172 N HN 0.386 8.813 8.380 0.079 0.000 0.495 173 S N 0.185 115.915 115.700 0.051 0.000 2.567 173 S HA 0.028 4.520 4.470 0.038 0.000 0.270 173 S C -1.340 173.276 174.600 0.026 0.000 1.152 173 S CA -0.215 58.008 58.200 0.038 0.000 0.835 173 S CB 2.145 65.369 63.200 0.040 0.000 1.115 173 S HN -0.661 7.675 8.310 0.043 0.000 0.459 174 A N 0.351 123.185 122.820 0.022 0.000 1.563 174 A HA -0.134 4.196 4.320 0.017 0.000 0.268 174 A C -0.785 176.808 177.584 0.016 0.000 1.078 174 A CA 0.316 52.363 52.037 0.017 0.000 0.560 174 A CB -0.591 18.417 19.000 0.013 0.000 1.588 174 A HN 0.257 8.421 8.150 0.024 0.000 0.222 175 G N 0.638 109.449 108.800 0.018 0.000 2.931 175 G HA2 -0.120 3.850 3.960 0.017 0.000 0.675 175 G HA3 -0.120 3.849 3.960 0.015 0.000 0.675 175 G C -0.641 174.274 174.900 0.026 0.000 1.339 175 G CA -0.583 44.529 45.100 0.018 0.000 0.866 175 G HN 0.236 8.538 8.290 0.019 0.000 0.616 176 G N -0.289 108.529 108.800 0.029 0.000 2.556 176 G HA2 0.162 4.145 3.960 0.039 0.000 0.294 176 G HA3 0.162 4.148 3.960 0.043 0.000 0.294 176 G C -1.433 173.495 174.900 0.046 0.000 1.516 176 G CA 0.208 45.332 45.100 0.039 0.000 0.824 176 G HN -0.325 7.981 8.290 0.026 0.000 0.535 177 T N 0.722 115.309 114.554 0.055 0.000 2.934 177 T HA 0.356 4.743 4.350 0.061 0.000 0.328 177 T C 0.297 175.051 174.700 0.091 0.000 1.068 177 T CA -0.026 62.111 62.100 0.061 0.000 1.018 177 T CB 0.250 69.142 68.868 0.040 0.000 1.009 177 T HN -0.163 8.110 8.240 0.054 0.000 0.471 178 S N 6.455 122.239 115.700 0.140 0.000 2.335 178 S HA -0.205 4.414 4.470 0.248 0.000 0.217 178 S C -0.487 174.201 174.600 0.147 0.000 1.032 178 S CA 1.184 59.533 58.200 0.248 0.000 0.985 178 S CB 0.051 63.512 63.200 0.435 0.000 0.896 178 S HN 0.534 8.922 8.310 0.130 0.000 0.445 179 V N -2.308 117.673 119.914 0.111 0.000 3.910 179 V HA -0.253 3.879 4.120 0.021 0.000 0.510 179 V C -0.674 175.319 176.094 -0.167 0.000 0.682 179 V CA 0.782 63.081 62.300 -0.002 0.000 2.016 179 V CB -0.379 31.435 31.823 -0.014 0.000 2.410 179 V HN -0.344 7.939 8.190 0.154 0.000 0.511 180 G N 2.872 111.537 108.800 -0.225 0.000 2.485 180 G HA2 -0.120 3.669 3.960 -0.285 0.000 0.181 180 G HA3 -0.120 3.462 3.960 -0.629 0.000 0.181 180 G C 0.148 174.745 174.900 -0.503 0.000 0.999 180 G CA -0.506 44.331 45.100 -0.438 0.000 0.721 180 G HN 0.291 8.524 8.290 -0.095 0.000 0.486 181 W N -0.347 120.952 121.300 -0.001 0.000 2.987 181 W HA 0.212 4.873 4.660 0.001 0.000 0.441 181 W C -1.665 174.845 176.519 -0.016 0.000 0.853 181 W CA -1.061 56.283 57.345 -0.001 0.000 2.222 181 W CB 0.027 29.493 29.460 0.011 0.000 1.139 181 W HN -0.111 8.045 8.180 -0.041 0.000 0.819 182 D N -1.558 118.898 120.400 0.093 0.000 2.651 182 D HA 0.225 4.901 4.640 0.060 0.000 0.280 182 D C -1.032 175.272 176.300 0.007 0.000 1.496 182 D CA -0.009 54.021 54.000 0.050 0.000 0.792 182 D CB 1.134 41.958 40.800 0.040 0.000 1.144 182 D HN -0.117 8.168 8.370 0.012 0.092 0.470 183 S N 0.753 116.449 115.700 -0.007 0.000 2.279 183 S HA 0.353 4.811 4.470 -0.019 0.000 0.176 183 S C -1.573 173.016 174.600 -0.020 0.000 1.554 183 S CA -1.721 56.465 58.200 -0.024 0.000 1.242 183 S CB 0.780 63.953 63.200 -0.045 0.000 1.163 183 S HN -0.367 7.943 8.310 -0.000 0.000 0.449 184 P HA 0.345 4.768 4.420 0.004 0.000 0.274 184 P C -1.078 176.216 177.300 -0.010 0.000 1.231 184 P CA -1.171 61.924 63.100 -0.008 0.000 0.790 184 P CB 0.018 31.707 31.700 -0.018 0.000 0.951 185 P HA -0.078 4.336 4.420 -0.010 0.000 0.217 185 P C -0.893 176.405 177.300 -0.004 0.000 1.154 185 P CA 0.708 63.805 63.100 -0.005 0.000 0.841 185 P CB 0.494 32.195 31.700 0.002 0.000 0.788 186 A N -0.985 121.834 122.820 -0.001 0.000 2.437 186 A HA 0.179 4.497 4.320 -0.004 0.000 0.293 186 A C -1.398 176.184 177.584 -0.003 0.000 1.038 186 A CA 0.121 52.157 52.037 -0.002 0.000 0.708 186 A CB 1.250 20.252 19.000 0.003 0.000 1.251 186 A HN -0.476 7.675 8.150 0.002 0.000 0.409 187 S N 2.129 117.825 115.700 -0.007 0.000 2.620 187 S HA 0.345 4.810 4.470 -0.008 0.000 0.244 187 S C -2.621 171.974 174.600 -0.007 0.000 1.192 187 S CA -1.738 56.456 58.200 -0.010 0.000 1.148 187 S CB 0.503 63.691 63.200 -0.020 0.000 1.106 187 S HN 0.035 8.341 8.310 -0.007 0.000 0.474 188 P HA 0.025 4.444 4.420 -0.002 0.000 0.261 188 P C -1.702 175.596 177.300 -0.004 0.000 1.183 188 P CA 0.057 63.156 63.100 -0.002 0.000 0.761 188 P CB 0.659 32.359 31.700 0.002 0.000 0.785 189 L N 2.837 124.058 121.223 -0.004 0.000 3.218 189 L HA 0.277 4.614 4.340 -0.005 0.000 0.279 189 L C 0.264 177.132 176.870 -0.003 0.000 1.287 189 L CA 0.671 55.508 54.840 -0.005 0.000 1.024 189 L CB 0.715 42.770 42.059 -0.007 0.000 1.409 189 L HN 0.160 8.388 8.230 -0.003 0.000 0.580 190 Q N 0.056 119.854 119.800 -0.002 0.000 2.506 190 Q HA 0.204 4.543 4.340 -0.002 0.000 0.239 190 Q C 0.616 176.616 176.000 -0.000 0.000 0.782 190 Q CA 0.958 56.760 55.803 -0.001 0.000 0.972 190 Q CB 0.893 29.631 28.738 -0.001 0.000 1.304 190 Q HN -0.133 8.073 8.270 -0.001 0.064 0.534 191 R N -0.491 120.010 120.500 0.001 0.000 2.555 191 R HA 0.130 4.471 4.340 0.002 0.000 0.272 191 R C 0.507 176.809 176.300 0.003 0.000 1.089 191 R CA 0.290 56.391 56.100 0.002 0.000 1.126 191 R CB -0.095 30.207 30.300 0.003 0.000 1.250 191 R HN 0.012 8.283 8.270 0.001 0.000 0.551 192 Q N -0.438 119.363 119.800 0.002 0.000 2.107 192 Q HA 0.129 4.472 4.340 0.005 0.000 0.195 192 Q C 0.067 176.068 176.000 0.003 0.000 0.964 192 Q CA 2.234 58.039 55.803 0.003 0.000 0.833 192 Q CB -0.951 27.788 28.738 0.001 0.000 0.910 192 Q HN -0.031 8.136 8.270 0.001 0.103 0.465 193 P HA -0.082 4.338 4.420 0.000 0.000 0.216 193 P C -0.399 176.902 177.300 0.001 0.000 1.153 193 P CA 0.489 63.589 63.100 0.000 0.000 0.858 193 P CB 0.113 31.813 31.700 -0.001 0.000 0.789 194 S N -4.058 111.643 115.700 0.001 0.000 3.795 194 S HA -0.288 4.183 4.470 0.002 0.000 0.682 194 S C -1.126 173.474 174.600 0.001 0.000 1.792 194 S CA -0.419 57.782 58.200 0.002 0.000 1.892 194 S CB 0.754 63.956 63.200 0.003 0.000 0.343 194 S HN -0.038 8.262 8.310 0.001 0.010 1.341 195 S N 2.016 117.717 115.700 0.001 0.000 2.566 195 S HA 0.117 4.587 4.470 -0.000 0.000 0.280 195 S C -1.493 173.107 174.600 -0.000 0.000 1.343 195 S CA -0.417 57.784 58.200 0.000 0.000 1.036 195 S CB -0.161 63.040 63.200 0.000 0.000 0.866 195 S HN -0.030 8.281 8.310 0.001 0.000 0.526 196 P HA 0.023 4.442 4.420 -0.001 0.000 0.276 196 P C -0.862 176.437 177.300 -0.001 0.000 1.253 196 P CA -0.339 62.761 63.100 -0.001 0.000 0.766 196 P CB 0.177 31.876 31.700 -0.001 0.000 0.845 197 G N 4.715 113.514 108.800 -0.001 0.000 2.500 197 G HA2 0.104 4.063 3.960 -0.001 0.000 0.299 197 G HA3 0.104 4.063 3.960 -0.001 0.000 0.299 197 G C -3.350 171.549 174.900 -0.001 0.000 1.242 197 G CA 0.090 45.190 45.100 -0.001 0.000 0.859 197 G HN -0.220 8.070 8.290 -0.001 0.000 0.481 198 P HA -0.089 4.330 4.420 -0.001 0.000 0.257 198 P C -1.237 176.063 177.300 -0.001 0.000 1.189 198 P CA 0.463 63.562 63.100 -0.001 0.000 0.780 198 P CB 0.235 31.934 31.700 -0.001 0.000 0.772 199 Q N 2.439 122.239 119.800 -0.001 0.000 2.650 199 Q HA 0.228 4.568 4.340 0.001 0.000 0.239 199 Q C -2.272 173.728 176.000 -0.000 0.000 0.893 199 Q CA -1.489 54.314 55.803 -0.000 0.000 0.755 199 Q CB 1.513 30.251 28.738 -0.000 0.000 1.349 199 Q HN -0.027 8.242 8.270 -0.001 0.000 0.461 200 P HA -0.108 4.313 4.420 0.001 0.000 0.245 200 P C -1.403 175.898 177.300 0.001 0.000 1.670 200 P CA 0.399 63.500 63.100 0.002 0.000 1.146 200 P CB -0.883 30.820 31.700 0.004 0.000 1.954 201 R N 0.160 120.658 120.500 -0.003 0.000 2.690 201 R HA 0.225 4.562 4.340 -0.005 0.000 0.419 201 R C -1.505 174.787 176.300 -0.012 0.000 1.090 201 R CA -0.666 55.430 56.100 -0.006 0.000 1.064 201 R CB 0.695 30.993 30.300 -0.005 0.000 1.391 201 R HN -0.105 8.127 8.270 -0.003 0.037 0.586 202 N N -1.006 117.687 118.700 -0.012 0.000 2.361 202 N HA 0.067 4.795 4.740 -0.020 0.000 0.302 202 N C -1.153 174.344 175.510 -0.022 0.000 1.074 202 N CA -0.554 52.486 53.050 -0.017 0.000 0.850 202 N CB 1.839 40.318 38.487 -0.012 0.000 1.228 202 N HN -0.314 8.000 8.380 -0.008 0.061 0.491 203 L N 2.578 123.784 121.223 -0.029 0.000 2.272 203 L HA 0.298 4.617 4.340 -0.036 0.000 0.284 203 L C -0.466 176.385 176.870 -0.031 0.000 1.045 203 L CA -0.155 54.663 54.840 -0.037 0.000 0.842 203 L CB 0.213 42.240 42.059 -0.052 0.000 1.224 203 L HN 0.364 8.576 8.230 -0.030 0.000 0.430 204 S N 6.223 121.907 115.700 -0.027 0.000 2.826 204 S HA -0.008 4.448 4.470 -0.022 0.000 0.193 204 S C -0.005 174.579 174.600 -0.026 0.000 0.838 204 S CA 0.858 59.044 58.200 -0.023 0.000 0.844 204 S CB 0.976 64.167 63.200 -0.016 0.000 0.816 204 S HN 0.732 9.026 8.310 -0.025 0.000 0.626 205 E N -1.186 118.999 120.200 -0.025 0.000 2.502 205 E HA 0.137 4.468 4.350 -0.031 0.000 0.206 205 E C -2.089 174.489 176.600 -0.037 0.000 0.821 205 E CA 0.459 56.842 56.400 -0.029 0.000 1.354 205 E CB 0.579 30.266 29.700 -0.023 0.000 1.336 205 E HN 0.219 8.566 8.360 -0.022 0.000 0.675 206 A N -0.785 122.015 122.820 -0.034 0.000 2.414 206 A HA 0.545 5.037 4.320 -0.057 -0.207 0.306 206 A C -0.962 176.606 177.584 -0.027 0.000 1.054 206 A CA -0.973 51.038 52.037 -0.044 0.000 0.724 206 A CB 2.514 21.481 19.000 -0.055 0.000 1.267 206 A HN -0.408 7.727 8.150 -0.025 0.000 0.418 207 K N 2.569 122.950 120.400 -0.032 0.000 2.540 207 K HA 0.293 4.622 4.320 0.016 0.000 0.218 207 K C -1.027 175.602 176.600 0.049 0.000 1.017 207 K CA -0.686 55.601 56.287 -0.000 0.000 1.029 207 K CB 0.611 33.096 32.500 -0.026 0.000 1.348 207 K HN 0.007 8.103 8.250 -0.057 0.120 0.508 208 H N 5.531 124.588 119.070 -0.021 0.000 2.690 208 H HA 0.279 5.041 4.556 -0.017 -0.216 0.314 208 H C -0.383 174.938 175.328 -0.012 0.000 1.069 208 H CA -0.448 55.591 56.048 -0.015 0.000 1.436 208 H CB 0.940 30.696 29.762 -0.010 0.000 1.462 208 H HN 0.319 8.687 8.280 0.147 0.000 0.511 209 V N 6.387 126.408 119.914 0.180 0.000 2.789 209 V HA 0.245 4.371 4.120 0.009 0.000 0.311 209 V C -1.624 174.473 176.094 0.006 0.000 1.073 209 V CA -1.547 60.781 62.300 0.047 0.000 0.921 209 V CB 4.224 36.074 31.823 0.045 0.000 1.009 209 V HN 0.684 9.065 8.190 0.318 0.000 0.426 210 S N 3.973 119.649 115.700 -0.039 0.000 2.565 210 S HA -0.038 4.392 4.470 -0.066 0.000 0.276 210 S C -0.310 174.283 174.600 -0.012 0.000 1.326 210 S CA -0.215 57.957 58.200 -0.046 0.000 1.045 210 S CB 0.670 63.836 63.200 -0.057 0.000 0.918 210 S HN 0.424 8.711 8.310 -0.038 0.000 0.505 211 L N 5.043 126.262 121.223 -0.008 0.000 2.851 211 L HA 0.206 4.546 4.340 0.000 0.000 0.237 211 L C -0.413 176.445 176.870 -0.021 0.000 1.257 211 L CA -1.021 53.817 54.840 -0.004 0.000 1.061 211 L CB -0.516 41.550 42.059 0.011 0.000 1.372 211 L HN 0.184 8.309 8.230 -0.012 0.097 0.493 212 K N -0.256 120.129 120.400 -0.024 0.000 2.005 212 K HA -0.100 4.202 4.320 -0.030 0.000 0.206 212 K C 0.017 176.593 176.600 -0.040 0.000 1.044 212 K CA 2.488 58.757 56.287 -0.029 0.000 0.942 212 K CB 0.578 33.064 32.500 -0.024 0.000 0.727 212 K HN -0.717 7.420 8.250 -0.021 0.100 0.439 213 M N -2.709 116.873 119.600 -0.030 0.000 2.785 213 M HA 0.112 4.551 4.480 -0.070 0.000 0.374 213 M C -1.380 174.906 176.300 -0.022 0.000 1.221 213 M CA -1.019 54.260 55.300 -0.034 0.000 0.912 213 M CB 0.517 33.118 32.600 0.001 0.000 1.355 213 M HN -0.203 8.076 8.290 -0.018 0.000 0.513 214 A N -0.557 122.244 122.820 -0.033 0.000 2.386 214 A HA 0.042 4.578 4.320 0.058 -0.182 0.248 214 A C -1.116 176.449 177.584 -0.031 0.000 1.082 214 A CA -0.585 51.457 52.037 0.008 0.000 0.789 214 A CB 0.854 19.862 19.000 0.014 0.000 1.025 214 A HN -0.629 7.428 8.150 -0.042 0.068 0.490 215 Y N 0.833 121.146 120.300 0.023 0.000 2.446 215 Y HA 0.148 4.707 4.550 0.016 0.000 0.345 215 Y C -1.906 174.012 175.900 0.030 0.000 0.984 215 Y CA -0.581 57.532 58.100 0.022 0.000 1.058 215 Y CB 4.316 42.789 38.460 0.023 0.000 1.220 215 Y HN -0.030 8.261 8.280 0.193 0.104 0.455 216 V N 0.736 120.821 119.914 0.285 0.000 2.417 216 V HA 0.840 5.291 4.120 0.160 -0.235 0.291 216 V C -1.070 175.126 176.094 0.170 0.000 1.024 216 V CA -3.009 59.399 62.300 0.181 0.000 0.861 216 V CB 1.341 33.233 31.823 0.115 0.000 0.985 216 V HN 0.101 8.482 8.190 0.319 0.000 0.436 217 S N 5.275 121.049 115.700 0.123 0.000 2.648 217 S HA 0.287 4.792 4.470 0.059 0.000 0.305 217 S C -1.091 173.530 174.600 0.035 0.000 1.094 217 S CA -1.727 56.513 58.200 0.067 0.000 0.983 217 S CB 2.141 65.366 63.200 0.041 0.000 1.101 217 S HN 0.248 8.534 8.310 0.134 0.104 0.514 218 R N 0.945 121.427 120.500 -0.029 0.000 2.539 218 R HA 0.423 4.874 4.340 -0.108 -0.175 0.295 218 R C -1.267 174.901 176.300 -0.221 0.000 1.138 218 R CA -0.295 55.745 56.100 -0.100 0.000 0.936 218 R CB 1.964 32.238 30.300 -0.042 0.000 1.182 218 R HN 0.336 8.591 8.270 -0.025 0.000 0.459 219 R N 2.751 122.929 120.500 -0.536 0.000 2.670 219 R HA 0.448 4.603 4.340 -0.309 0.000 0.289 219 R C -2.264 173.510 176.300 -0.878 0.000 0.965 219 R CA -1.562 54.158 56.100 -0.632 0.000 0.899 219 R CB 4.647 34.642 30.300 -0.510 0.000 1.173 219 R HN 0.344 8.178 8.270 -0.728 0.000 0.456 220 C N -0.512 118.601 119.300 -0.312 0.000 2.399 220 C HA 0.425 4.828 4.460 -0.095 0.000 0.348 220 C C -0.216 174.847 174.990 0.122 0.000 1.183 220 C CA -1.605 57.361 59.018 -0.086 0.000 2.023 220 C CB 3.283 31.002 27.740 -0.034 0.000 2.361 220 C HN 0.522 8.640 8.230 -0.187 0.000 0.521 221 T N -0.065 114.607 114.554 0.197 0.000 3.908 221 T HA 0.048 4.471 4.350 0.122 0.000 0.282 221 T C -2.186 172.567 174.700 0.089 0.000 0.854 221 T CA 1.542 63.751 62.100 0.183 0.000 1.194 221 T CB -0.046 69.006 68.868 0.308 0.000 0.975 221 T HN 0.131 8.473 8.240 0.171 0.000 0.426 222 P HA 0.139 4.493 4.420 -0.109 0.000 0.241 222 P C -1.205 176.061 177.300 -0.057 0.000 1.760 222 P CA -0.157 62.883 63.100 -0.099 0.000 1.081 222 P CB -1.524 29.973 31.700 -0.338 0.000 1.975 223 T N -0.195 114.345 114.554 -0.023 0.000 3.795 223 T HA -0.352 3.995 4.350 -0.005 0.000 0.370 223 T C -1.605 173.095 174.700 -0.001 0.000 0.761 223 T CA 1.061 63.152 62.100 -0.014 0.000 1.923 223 T CB -0.499 68.351 68.868 -0.029 0.000 1.795 223 T HN 0.053 8.244 8.240 -0.013 0.041 0.762 224 D N -0.521 119.891 120.400 0.019 0.000 2.485 224 D HA 0.305 4.959 4.640 0.025 0.000 0.256 224 D C -1.584 174.727 176.300 0.019 0.000 1.141 224 D CA -2.338 51.680 54.000 0.030 0.000 0.942 224 D CB 0.479 41.317 40.800 0.063 0.000 1.003 224 D HN -0.238 8.145 8.370 0.028 0.005 0.507 225 P HA 0.109 4.534 4.420 0.008 0.000 0.253 225 P C -1.028 176.279 177.300 0.011 0.000 1.459 225 P CA 0.008 63.114 63.100 0.010 0.000 0.908 225 P CB 0.561 32.265 31.700 0.008 0.000 1.470 226 E N -2.247 117.962 120.200 0.014 0.000 2.628 226 E HA 0.074 4.432 4.350 0.014 0.000 0.275 226 E C -1.613 175.001 176.600 0.024 0.000 1.118 226 E CA 0.842 57.252 56.400 0.017 0.000 1.989 226 E CB -1.280 28.431 29.700 0.019 0.000 2.738 226 E HN -0.214 8.045 8.360 0.017 0.111 1.053 227 P HA -0.167 4.292 4.420 0.064 0.000 0.210 227 P C -0.632 176.703 177.300 0.059 0.000 1.189 227 P CA 1.017 64.153 63.100 0.060 0.000 0.920 227 P CB 0.421 32.166 31.700 0.074 0.000 0.782 228 R N -6.844 113.691 120.500 0.059 0.000 3.829 228 R HA -0.422 4.044 4.340 0.046 -0.099 0.511 228 R C -1.050 175.321 176.300 0.118 0.000 0.243 228 R CA 0.366 56.477 56.100 0.018 0.000 1.594 228 R CB -0.528 29.708 30.300 -0.107 0.000 1.067 228 R HN -0.296 8.014 8.270 0.067 0.000 0.536 229 Y N -5.766 114.667 120.300 0.222 0.000 2.334 229 Y HA 0.191 4.915 4.550 0.290 0.000 0.328 229 Y C -1.490 174.573 175.900 0.270 0.000 1.130 229 Y CA -2.105 56.191 58.100 0.328 0.000 1.163 229 Y CB 0.573 39.404 38.460 0.618 0.000 1.207 229 Y HN -0.137 7.910 8.280 -0.389 0.000 0.471 230 L N 1.071 122.535 121.223 0.400 0.000 2.421 230 L HA 0.686 5.356 4.340 0.172 -0.226 0.263 230 L C 0.484 177.587 176.870 0.388 0.000 1.122 230 L CA -1.169 53.834 54.840 0.273 0.000 0.804 230 L CB 1.235 43.402 42.059 0.180 0.000 1.150 230 L HN 0.695 9.064 8.230 0.394 0.097 0.457 231 E N -1.087 119.269 120.200 0.260 0.000 2.241 231 E HA 0.305 4.876 4.350 0.369 0.000 0.263 231 E C -1.343 175.360 176.600 0.171 0.000 0.882 231 E CA -1.006 55.550 56.400 0.260 0.000 0.769 231 E CB 2.711 32.527 29.700 0.194 0.000 1.185 231 E HN 0.012 8.482 8.360 0.183 0.000 0.415 232 I N 5.690 126.348 120.570 0.146 0.000 2.361 232 I HA 0.473 4.955 4.170 0.121 -0.240 0.282 232 I C -0.844 175.333 176.117 0.101 0.000 1.075 232 I CA -1.144 60.220 61.300 0.107 0.000 1.205 232 I CB 0.969 39.004 38.000 0.059 0.000 1.406 232 I HN 0.761 8.943 8.210 0.161 0.125 0.481 233 C N 8.080 127.453 119.300 0.123 0.000 2.225 233 C HA 0.246 4.889 4.460 0.081 -0.134 0.328 233 C C -0.416 174.639 174.990 0.107 0.000 1.187 233 C CA -0.684 58.398 59.018 0.106 0.000 1.665 233 C CB 0.357 28.158 27.740 0.102 0.000 2.253 233 C HN 0.315 8.639 8.230 0.157 0.000 0.497 234 A N 6.124 128.986 122.820 0.071 0.000 2.785 234 A HA -0.045 4.307 4.320 0.054 0.000 0.294 234 A C -0.421 177.198 177.584 0.058 0.000 1.597 234 A CA -0.362 51.707 52.037 0.054 0.000 1.283 234 A CB -0.982 18.037 19.000 0.033 0.000 1.088 234 A HN 0.714 8.781 8.150 0.059 0.119 0.568 235 A N 3.962 126.831 122.820 0.081 0.000 2.798 235 A HA -0.384 4.107 4.320 0.120 -0.100 0.282 235 A C -0.749 176.882 177.584 0.078 0.000 1.464 235 A CA 0.784 52.872 52.037 0.085 0.000 0.844 235 A CB -1.525 17.504 19.000 0.048 0.000 1.006 235 A HN 0.146 8.353 8.150 0.095 0.000 0.577 236 D N -5.209 115.240 120.400 0.080 0.000 2.782 236 D HA -0.375 4.293 4.640 0.047 0.000 0.231 236 D C -1.073 175.248 176.300 0.035 0.000 1.163 236 D CA 1.284 55.315 54.000 0.052 0.000 0.680 236 D CB -1.137 39.688 40.800 0.042 0.000 1.062 236 D HN 0.261 8.537 8.370 0.098 0.152 0.425 237 G N -5.755 103.065 108.800 0.033 0.000 5.070 237 G HA2 0.235 4.206 3.960 0.018 0.000 0.249 237 G HA3 0.235 4.209 3.960 0.022 0.000 0.249 237 G C -1.277 173.633 174.900 0.017 0.000 0.931 237 G CA 0.220 45.334 45.100 0.022 0.000 0.753 237 G HN -0.304 7.974 8.290 0.038 0.034 0.320 238 Q N -3.033 116.778 119.800 0.019 0.000 2.486 238 Q HA 0.201 4.547 4.340 0.009 0.000 0.204 238 Q C -1.876 174.132 176.000 0.014 0.000 0.736 238 Q CA -0.127 55.684 55.803 0.013 0.000 0.933 238 Q CB 2.359 31.104 28.738 0.011 0.000 1.308 238 Q HN -0.518 7.767 8.270 0.025 0.000 0.469 239 D N -1.412 119.000 120.400 0.020 0.000 2.692 239 D HA 0.160 4.809 4.640 0.015 0.000 0.290 239 D C -2.559 173.760 176.300 0.031 0.000 1.281 239 D CA -0.416 53.596 54.000 0.020 0.000 0.804 239 D CB 3.682 44.492 40.800 0.017 0.000 1.331 239 D HN -0.831 7.555 8.370 0.026 0.000 0.432 240 A N 0.776 123.614 122.820 0.031 0.000 2.741 240 A HA 0.649 5.258 4.320 0.061 -0.253 0.298 240 A C -1.653 175.964 177.584 0.056 0.000 1.153 240 A CA -0.319 51.748 52.037 0.051 0.000 0.816 240 A CB 1.362 20.393 19.000 0.051 0.000 1.396 240 A HN 0.187 8.349 8.150 0.020 0.000 0.407 241 V N -0.304 119.637 119.914 0.046 0.000 2.347 241 V HA 0.513 4.625 4.120 -0.013 0.000 0.280 241 V C -2.145 173.982 176.094 0.056 0.000 1.021 241 V CA -1.235 61.069 62.300 0.006 0.000 0.847 241 V CB 0.868 32.662 31.823 -0.049 0.000 0.990 241 V HN 0.275 8.493 8.190 0.045 0.000 0.444 242 F N 8.611 128.522 119.950 -0.065 0.000 2.469 242 F HA 0.782 5.401 4.527 0.014 -0.083 0.332 242 F C -2.269 173.493 175.800 -0.063 0.000 1.103 242 F CA -2.155 55.829 58.000 -0.026 0.000 0.979 242 F CB 3.090 42.094 39.000 0.006 0.000 1.137 242 F HN 0.013 8.325 8.300 0.020 0.000 0.463 243 L N -3.979 117.151 121.223 -0.156 0.000 2.671 243 L HA 0.780 4.926 4.340 -0.590 -0.160 0.259 243 L C -2.261 174.675 176.870 0.110 0.000 1.021 243 L CA -1.175 53.511 54.840 -0.257 0.000 0.871 243 L CB 3.683 45.568 42.059 -0.291 0.000 1.472 243 L HN 0.628 8.866 8.230 0.169 0.094 0.410 244 R N -0.856 119.743 120.500 0.164 0.000 2.711 244 R HA 0.403 4.901 4.340 0.262 0.000 0.284 244 R C -1.576 174.817 176.300 0.156 0.000 0.968 244 R CA -1.872 54.376 56.100 0.247 0.000 0.924 244 R CB 3.812 34.333 30.300 0.368 0.000 1.162 244 R HN 0.186 8.414 8.270 0.106 0.106 0.465 245 A N 4.547 127.486 122.820 0.198 0.000 2.257 245 A HA 0.199 4.642 4.320 0.206 0.000 0.290 245 A C -0.327 177.363 177.584 0.177 0.000 1.201 245 A CA -1.043 51.137 52.037 0.238 0.000 0.863 245 A CB 0.903 20.159 19.000 0.427 0.000 1.256 245 A HN 0.708 8.994 8.150 0.226 0.000 0.506 246 K N -1.047 119.453 120.400 0.167 0.000 1.984 246 K HA -0.223 4.154 4.320 0.095 0.000 0.209 246 K C -0.056 176.599 176.600 0.091 0.000 1.046 246 K CA 3.115 59.468 56.287 0.110 0.000 0.934 246 K CB 0.282 32.840 32.500 0.095 0.000 0.717 246 K HN 0.519 8.895 8.250 0.209 0.000 0.438 247 D N -3.607 116.848 120.400 0.092 0.000 2.449 247 D HA 0.057 4.733 4.640 0.060 0.000 0.250 247 D C 0.729 177.077 176.300 0.080 0.000 1.050 247 D CA -1.308 52.733 54.000 0.069 0.000 1.024 247 D CB 2.291 43.118 40.800 0.045 0.000 1.218 247 D HN -0.847 7.586 8.370 0.105 0.000 0.566 248 E N 0.378 120.614 120.200 0.060 0.000 2.110 248 E HA -0.354 4.042 4.350 0.077 0.000 0.193 248 E C 0.903 177.536 176.600 0.055 0.000 0.988 248 E CA 3.178 59.614 56.400 0.060 0.000 0.804 248 E CB -0.272 29.452 29.700 0.041 0.000 0.745 248 E HN 0.483 8.871 8.360 0.047 0.000 0.458 249 A N -0.010 122.830 122.820 0.034 0.000 1.898 249 A HA -0.192 4.133 4.320 0.009 0.000 0.216 249 A C 2.179 179.760 177.584 -0.005 0.000 1.181 249 A CA 3.128 55.171 52.037 0.009 0.000 0.620 249 A CB -1.042 17.954 19.000 -0.006 0.000 0.819 249 A HN -0.211 7.946 8.150 0.031 0.012 0.442 250 S N -0.519 115.190 115.700 0.014 0.000 2.400 250 S HA -0.339 4.038 4.470 -0.155 0.000 0.232 250 S C 2.115 176.769 174.600 0.091 0.000 1.025 250 S CA 3.308 61.500 58.200 -0.013 0.000 0.993 250 S CB -0.341 62.917 63.200 0.097 0.000 0.808 250 S HN 0.115 8.446 8.310 0.036 0.000 0.478 251 A N 0.499 123.440 122.820 0.202 0.000 1.970 251 A HA -0.095 4.531 4.320 0.510 0.000 0.216 251 A C 1.324 179.017 177.584 0.182 0.000 1.170 251 A CA 2.492 54.702 52.037 0.288 0.000 0.645 251 A CB -0.701 18.430 19.000 0.217 0.000 0.816 251 A HN -0.492 7.632 8.150 0.148 0.115 0.447 252 R N -1.797 118.755 120.500 0.086 0.000 2.096 252 R HA -0.379 3.995 4.340 0.057 0.000 0.235 252 R C 1.854 178.165 176.300 0.019 0.000 1.127 252 R CA 3.573 59.700 56.100 0.045 0.000 0.968 252 R CB -0.034 30.276 30.300 0.016 0.000 0.861 252 R HN 0.026 8.229 8.270 0.070 0.109 0.440 253 S N -1.010 114.663 115.700 -0.045 0.000 2.414 253 S HA -0.170 4.247 4.470 -0.089 0.000 0.227 253 S C 1.959 176.500 174.600 -0.098 0.000 1.022 253 S CA 3.698 61.817 58.200 -0.134 0.000 0.958 253 S CB -0.287 62.746 63.200 -0.278 0.000 0.797 253 S HN 0.132 8.396 8.310 -0.056 0.012 0.493 254 W N 1.416 122.728 121.300 0.020 0.000 2.381 254 W HA -0.360 4.313 4.660 0.021 0.000 0.321 254 W C 1.317 177.850 176.519 0.024 0.000 1.196 254 W CA 3.085 60.445 57.345 0.025 0.000 1.304 254 W CB 0.004 29.487 29.460 0.038 0.000 1.166 254 W HN -0.396 7.731 8.180 0.079 0.100 0.473 255 A N -2.942 120.060 122.820 0.304 0.000 1.978 255 A HA -0.264 4.160 4.320 0.172 0.000 0.220 255 A C 2.377 180.025 177.584 0.107 0.000 1.170 255 A CA 2.997 55.138 52.037 0.173 0.000 0.636 255 A CB -0.994 18.082 19.000 0.127 0.000 0.810 255 A HN 0.585 8.932 8.150 0.328 0.000 0.448 256 G N -3.295 105.555 108.800 0.083 0.000 2.448 256 G HA2 -0.239 3.732 3.960 0.017 0.000 0.218 256 G HA3 -0.239 3.826 3.960 0.012 -0.098 0.218 256 G C 0.695 175.614 174.900 0.032 0.000 1.135 256 G CA 1.161 46.280 45.100 0.032 0.000 0.784 256 G HN -0.230 7.930 8.290 0.098 0.188 0.543 257 A N 2.012 124.870 122.820 0.063 0.000 1.898 257 A HA -0.175 4.159 4.320 0.023 0.000 0.214 257 A C 1.720 179.357 177.584 0.089 0.000 1.183 257 A CA 2.407 54.482 52.037 0.063 0.000 0.622 257 A CB -0.114 18.928 19.000 0.069 0.000 0.824 257 A HN -0.167 7.807 8.150 0.098 0.235 0.444 258 I N -1.605 119.044 120.570 0.132 0.000 2.315 258 I HA -0.583 3.645 4.170 0.096 0.000 0.248 258 I C 1.645 177.787 176.117 0.041 0.000 1.117 258 I CA 4.244 65.604 61.300 0.099 0.000 1.404 258 I CB -0.174 37.895 38.000 0.115 0.000 1.071 258 I HN 0.445 8.763 8.210 0.181 0.000 0.419 259 Q N 0.096 119.915 119.800 0.032 0.000 2.079 259 Q HA -0.395 3.925 4.340 -0.035 0.000 0.200 259 Q C 2.285 178.270 176.000 -0.025 0.000 0.974 259 Q CA 3.393 59.189 55.803 -0.012 0.000 0.840 259 Q CB -0.026 28.704 28.738 -0.014 0.000 0.898 259 Q HN -0.095 8.209 8.270 0.056 0.000 0.430 260 A N -2.069 120.746 122.820 -0.009 0.000 2.014 260 A HA -0.161 4.144 4.320 -0.026 0.000 0.218 260 A C 2.131 179.708 177.584 -0.011 0.000 1.163 260 A CA 2.418 54.446 52.037 -0.015 0.000 0.652 260 A CB -0.701 18.293 19.000 -0.010 0.000 0.808 260 A HN -0.455 7.699 8.150 0.007 0.000 0.449 261 Q N -1.694 118.107 119.800 0.001 0.000 2.036 261 Q HA -0.165 4.176 4.340 0.002 0.000 0.195 261 Q C 2.048 178.041 176.000 -0.012 0.000 0.971 261 Q CA 1.831 57.637 55.803 0.004 0.000 0.826 261 Q CB 0.419 29.173 28.738 0.027 0.000 0.896 261 Q HN -0.476 7.673 8.270 0.012 0.128 0.449 262 I N -2.509 118.049 120.570 -0.021 0.000 2.090 262 I HA -0.374 3.937 4.170 -0.036 -0.162 0.236 262 I C 1.550 177.627 176.117 -0.067 0.000 1.064 262 I CA 2.307 63.579 61.300 -0.047 0.000 1.324 262 I CB 0.619 38.577 38.000 -0.070 0.000 1.044 262 I HN 0.076 8.172 8.210 -0.010 0.107 0.399 263 G N -2.460 106.290 108.800 -0.082 0.000 2.258 263 G HA2 -0.436 3.515 3.960 -0.091 0.000 0.274 263 G HA3 -0.436 3.487 3.960 -0.061 0.000 0.274 263 G C -0.043 174.793 174.900 -0.107 0.000 1.021 263 G CA 0.618 45.667 45.100 -0.086 0.000 0.798 263 G HN -0.504 7.737 8.290 -0.081 0.000 0.507 264 T N 0.000 114.457 114.554 -0.162 0.000 3.816 264 T HA 0.000 4.282 4.350 -0.113 0.000 0.228 264 T CA 0.000 61.995 62.100 -0.176 0.000 1.349 264 T CB 0.000 68.714 68.868 -0.257 0.000 0.612 264 T HN 0.000 8.100 8.240 -0.188 0.027 0.658