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 1p7w_1_A DATA FIRST_RESID 1 DATA SEQUENCE AAQTNAPWGL ARISSTSPGT STYYYDESAG QGScVYVIDT GIEASHPEFE DATA SEQUENCE GRAQMVKTYY YSSRDGNGHG THCAGTVGSR TYGVAKKTQL FGVKVLDDNG DATA SEQUENCE SGQYSTIIAG MDFVASDKNN RNcPKGVVAS LSLGGGYSSS VNSAAARLQS DATA SEQUENCE SGVMVAVAAG NNNADARNYS PASEPSVcTV GASDRYDRRS SFSNYGSVLD DATA SEQUENCE IFGPGTDILS TWIGGSTRSI SGTSMATPHV AGLAAYLMTL GKTTAASAcR DATA SEQUENCE YIADTANKGD LSNIPFGTVN LLAYNNYQA 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 1 A HA 0.000 4.164 4.320 -0.259 0.000 0.244 1 A C 0.000 177.347 177.584 -0.395 0.000 1.274 1 A CA 0.000 51.744 52.037 -0.488 0.000 0.836 1 A CB 0.000 18.430 19.000 -0.949 0.000 0.831 2 A N 0.695 123.412 122.820 -0.172 0.000 2.359 2 A HA 0.788 5.253 4.320 -0.071 -0.187 0.303 2 A C -1.463 176.098 177.584 -0.038 0.000 1.066 2 A CA -0.808 51.210 52.037 -0.032 0.000 0.730 2 A CB 2.628 21.730 19.000 0.170 0.000 1.211 2 A HN 0.193 8.255 8.150 -0.146 0.000 0.439 3 Q N 5.509 125.298 119.800 -0.019 0.000 2.400 3 Q HA 0.327 4.688 4.340 0.035 0.000 0.255 3 Q C -0.835 175.156 176.000 -0.014 0.000 1.008 3 Q CA -1.533 54.293 55.803 0.039 0.000 0.841 3 Q CB 1.874 30.699 28.738 0.145 0.000 1.220 3 Q HN 0.476 8.709 8.270 -0.062 0.000 0.474 4 T N 3.811 118.359 114.554 -0.010 0.000 2.898 4 T HA -0.045 4.291 4.350 -0.024 0.000 0.301 4 T C 0.137 174.837 174.700 -0.001 0.000 1.049 4 T CA 0.153 62.248 62.100 -0.008 0.000 1.095 4 T CB 0.718 69.592 68.868 0.011 0.000 0.976 4 T HN 0.307 8.547 8.240 -0.000 0.000 0.539 5 N N -1.422 117.283 118.700 0.008 0.000 2.714 5 N HA -0.493 4.265 4.740 0.030 0.000 0.252 5 N C -1.214 174.305 175.510 0.016 0.000 1.014 5 N CA 1.250 54.312 53.050 0.020 0.000 0.735 5 N CB -1.384 37.117 38.487 0.023 0.000 0.924 5 N HN 0.441 8.827 8.380 0.009 0.000 0.540 6 A N -1.094 121.732 122.820 0.011 0.000 2.332 6 A HA 0.189 4.493 4.320 -0.027 0.000 0.258 6 A C -2.261 175.332 177.584 0.016 0.000 1.087 6 A CA -1.209 50.825 52.037 -0.004 0.000 0.802 6 A CB 0.323 19.326 19.000 0.006 0.000 1.042 6 A HN -0.234 7.913 8.150 0.008 0.008 0.489 7 P HA -0.107 4.362 4.420 0.082 0.000 0.265 7 P C 0.623 177.905 177.300 -0.031 0.000 1.187 7 P CA 0.052 63.159 63.100 0.012 0.000 0.766 7 P CB 0.383 32.069 31.700 -0.023 0.000 0.820 8 W N 2.858 124.156 121.300 -0.003 0.000 2.342 8 W HA -0.349 4.290 4.660 -0.036 0.000 0.297 8 W C 1.203 177.697 176.519 -0.041 0.000 1.213 8 W CA 2.892 60.218 57.345 -0.033 0.000 1.251 8 W CB -1.191 28.234 29.460 -0.058 0.000 1.136 8 W HN 0.569 8.896 8.180 0.246 0.000 0.526 9 G N 0.175 108.333 108.800 -1.069 0.000 2.408 9 G HA2 -0.389 2.718 3.960 -1.421 0.000 0.217 9 G HA3 -0.389 2.857 3.960 -1.189 0.000 0.217 9 G C 0.668 175.293 174.900 -0.457 0.000 1.150 9 G CA 1.466 45.897 45.100 -1.116 0.000 0.776 9 G HN 0.135 7.669 8.290 -1.239 0.013 0.542 10 L N 1.627 122.635 121.223 -0.358 0.000 2.017 10 L HA -0.408 3.544 4.340 -0.647 0.000 0.208 10 L C 2.090 178.767 176.870 -0.322 0.000 1.073 10 L CA 2.526 57.025 54.840 -0.569 0.000 0.745 10 L CB -0.440 41.144 42.059 -0.791 0.000 0.894 10 L HN -0.794 7.235 8.230 -0.335 0.000 0.432 11 A N -2.224 120.538 122.820 -0.097 0.000 1.940 11 A HA -0.257 4.269 4.320 0.124 -0.131 0.219 11 A C 2.677 180.339 177.584 0.130 0.000 1.176 11 A CA 2.586 54.667 52.037 0.072 0.000 0.631 11 A CB -0.641 18.409 19.000 0.085 0.000 0.814 11 A HN -0.448 7.641 8.150 -0.101 0.000 0.446 12 R N -0.762 119.793 120.500 0.092 0.000 2.081 12 R HA -0.232 4.213 4.340 0.175 0.000 0.235 12 R C 2.523 178.911 176.300 0.146 0.000 1.131 12 R CA 2.182 58.367 56.100 0.142 0.000 0.960 12 R CB -0.314 30.101 30.300 0.192 0.000 0.856 12 R HN -0.286 7.902 8.270 0.028 0.099 0.436 13 I N -2.485 118.134 120.570 0.082 0.000 2.567 13 I HA -0.160 4.297 4.170 0.184 -0.177 0.257 13 I C -0.001 176.325 176.117 0.348 0.000 1.184 13 I CA 2.953 64.350 61.300 0.161 0.000 1.451 13 I CB -0.541 37.476 38.000 0.028 0.000 1.089 13 I HN -0.314 7.882 8.210 -0.023 0.000 0.441 14 S N -6.810 109.131 115.700 0.401 0.000 2.574 14 S HA 0.307 5.250 4.470 0.471 -0.190 0.242 14 S C -0.387 174.568 174.600 0.593 0.000 0.982 14 S CA -1.459 57.048 58.200 0.512 0.000 0.977 14 S CB -0.082 63.442 63.200 0.540 0.000 0.814 14 S HN -0.660 7.830 8.310 0.343 0.025 0.464 15 S N 0.714 116.700 115.700 0.477 0.000 2.526 15 S HA 0.244 4.917 4.470 0.338 0.000 0.293 15 S C 0.655 175.232 174.600 -0.038 0.000 1.092 15 S CA -1.691 56.679 58.200 0.283 0.000 0.980 15 S CB 1.315 64.640 63.200 0.208 0.000 1.048 15 S HN -0.603 7.903 8.310 0.422 0.057 0.483 16 T N 2.372 116.854 114.554 -0.121 0.000 3.035 16 T HA -0.141 3.878 4.350 -0.551 0.000 0.268 16 T C -0.021 174.599 174.700 -0.134 0.000 1.109 16 T CA 1.326 63.258 62.100 -0.280 0.000 1.119 16 T CB 0.034 68.802 68.868 -0.167 0.000 0.900 16 T HN 0.473 8.719 8.240 0.010 0.000 0.503 17 S N 2.185 117.864 115.700 -0.036 0.000 2.542 17 S HA 0.444 4.898 4.470 -0.026 0.000 0.293 17 S C -2.083 172.530 174.600 0.021 0.000 1.089 17 S CA -3.082 55.113 58.200 -0.008 0.000 0.961 17 S CB 1.495 64.701 63.200 0.010 0.000 1.062 17 S HN -0.507 7.759 8.310 0.004 0.046 0.483 18 P HA -0.028 4.408 4.420 0.026 0.000 0.274 18 P C 0.461 177.756 177.300 -0.009 0.000 1.256 18 P CA 0.275 63.372 63.100 -0.004 0.000 0.795 18 P CB 0.263 31.933 31.700 -0.052 0.000 1.038 19 G N -0.924 107.851 108.800 -0.041 0.000 2.131 19 G HA2 -0.299 3.602 3.960 -0.097 0.000 0.223 19 G HA3 -0.299 3.643 3.960 -0.029 0.000 0.223 19 G C -0.503 174.407 174.900 0.017 0.000 0.990 19 G CA 0.071 45.146 45.100 -0.041 0.000 0.671 19 G HN 0.574 8.829 8.290 -0.057 0.000 0.521 20 T N -3.307 111.281 114.554 0.057 0.000 2.940 20 T HA 0.327 4.720 4.350 0.071 0.000 0.288 20 T C -0.378 174.374 174.700 0.087 0.000 1.045 20 T CA -1.903 60.246 62.100 0.083 0.000 1.018 20 T CB 2.717 71.660 68.868 0.124 0.000 1.151 20 T HN -0.591 7.691 8.240 0.069 0.000 0.529 21 S N -1.726 114.017 115.700 0.071 0.000 2.893 21 S HA 0.168 4.684 4.470 0.077 0.000 0.258 21 S C -0.946 173.660 174.600 0.010 0.000 1.034 21 S CA -0.422 57.812 58.200 0.057 0.000 1.167 21 S CB 1.257 64.490 63.200 0.055 0.000 1.137 21 S HN 0.336 8.688 8.310 0.071 0.000 0.650 22 T N 3.821 118.343 114.554 -0.053 0.000 2.797 22 T HA 0.563 5.005 4.350 -0.147 -0.180 0.279 22 T C -1.247 173.234 174.700 -0.365 0.000 0.991 22 T CA -0.242 61.716 62.100 -0.237 0.000 0.979 22 T CB 2.625 71.278 68.868 -0.359 0.000 0.943 22 T HN -0.848 7.376 8.240 -0.026 0.000 0.444 23 Y N 9.342 129.406 120.300 -0.393 0.000 2.326 23 Y HA 0.283 4.710 4.550 -0.204 0.000 0.337 23 Y C -0.389 175.351 175.900 -0.266 0.000 1.023 23 Y CA -2.354 55.594 58.100 -0.253 0.000 1.143 23 Y CB 0.717 39.121 38.460 -0.093 0.000 1.183 23 Y HN 0.185 8.437 8.280 -0.047 0.000 0.485 24 Y N 8.994 129.314 120.300 0.033 0.000 2.352 24 Y HA 0.811 5.241 4.550 -0.199 0.000 0.339 24 Y C -1.082 174.585 175.900 -0.388 0.000 0.992 24 Y CA -1.893 56.148 58.100 -0.098 0.000 1.100 24 Y CB 2.058 40.647 38.460 0.215 0.000 1.192 24 Y HN -0.069 nan 8.280 nan 0.000 0.458 25 Y N -3.038 116.809 120.300 -0.756 0.000 2.592 25 Y HA 0.193 4.049 4.550 -1.156 0.000 0.334 25 Y C -2.289 172.916 175.900 -1.159 0.000 1.136 25 Y CA -1.546 55.898 58.100 -1.095 0.000 1.042 25 Y CB 2.293 40.158 38.460 -0.992 0.000 1.325 25 Y HN -0.018 7.691 8.280 -0.951 0.000 0.457 26 D N 1.828 121.762 120.400 -0.778 0.000 2.425 26 D HA -0.014 4.396 4.640 -0.382 0.000 0.247 26 D C 1.123 177.401 176.300 -0.037 0.000 1.147 26 D CA 0.690 54.507 54.000 -0.305 0.000 0.879 26 D CB 2.373 43.164 40.800 -0.015 0.000 1.179 26 D HN -0.157 7.999 8.370 -0.357 0.000 0.456 27 E N 6.461 126.596 120.200 -0.108 0.000 2.331 27 E HA -0.363 3.990 4.350 0.005 0.000 0.199 27 E C 1.379 178.023 176.600 0.072 0.000 1.008 27 E CA 2.475 58.864 56.400 -0.017 0.000 0.843 27 E CB -0.491 29.176 29.700 -0.055 0.000 0.761 27 E HN 0.654 8.939 8.360 -0.125 0.000 0.507 28 S N 0.712 116.434 115.700 0.036 0.000 2.387 28 S HA -0.379 4.096 4.470 0.009 0.000 0.230 28 S C 0.921 175.554 174.600 0.055 0.000 1.035 28 S CA 2.473 60.680 58.200 0.012 0.000 1.014 28 S CB 0.222 63.388 63.200 -0.056 0.000 0.836 28 S HN -0.285 8.308 8.310 0.009 -0.277 0.466 29 A N 0.652 123.568 122.820 0.161 0.000 2.832 29 A HA -0.405 4.121 4.320 0.344 0.000 0.280 29 A C -0.242 177.412 177.584 0.117 0.000 1.464 29 A CA 0.669 52.831 52.037 0.210 0.000 0.804 29 A CB -1.826 17.267 19.000 0.156 0.000 1.020 29 A HN -0.341 7.933 8.150 0.206 0.000 0.563 30 G N -6.552 102.295 108.800 0.079 0.000 2.148 30 G HA2 -0.590 3.374 3.960 0.007 0.000 0.254 30 G HA3 -0.590 3.399 3.960 0.049 0.000 0.254 30 G C -0.390 174.504 174.900 -0.010 0.000 0.981 30 G CA -0.095 45.022 45.100 0.029 0.000 0.670 30 G HN 0.390 8.685 8.290 0.033 0.015 0.528 31 Q N 0.768 120.562 119.800 -0.011 0.000 2.315 31 Q HA -0.393 4.117 4.340 -0.025 -0.185 0.289 31 Q C 0.390 176.373 176.000 -0.028 0.000 1.044 31 Q CA 1.712 57.503 55.803 -0.021 0.000 0.920 31 Q CB 0.427 29.157 28.738 -0.012 0.000 1.214 31 Q HN -0.600 7.630 8.270 -0.002 0.039 0.392 32 G N 3.344 112.126 108.800 -0.029 0.000 2.199 32 G HA2 -0.421 3.530 3.960 -0.016 0.000 0.254 32 G HA3 -0.421 3.528 3.960 -0.020 0.000 0.254 32 G C -0.664 174.224 174.900 -0.019 0.000 0.982 32 G CA -0.071 45.017 45.100 -0.022 0.000 0.632 32 G HN 0.640 8.910 8.290 -0.033 0.000 0.529 33 S N -0.190 115.491 115.700 -0.030 0.000 2.713 33 S HA 0.789 5.389 4.470 -0.005 -0.133 0.283 33 S C -0.797 173.767 174.600 -0.059 0.000 1.161 33 S CA -1.658 56.527 58.200 -0.024 0.000 0.999 33 S CB 2.819 66.008 63.200 -0.018 0.000 1.039 33 S HN -0.509 7.708 8.310 -0.037 0.071 0.548 34 c N -0.842 117.735 118.600 -0.038 0.000 2.698 34 c HA 0.793 5.373 4.570 -0.294 -0.186 0.309 34 c C -1.456 172.595 174.090 -0.066 0.000 1.186 34 c CA -1.011 55.237 56.329 -0.135 0.000 1.474 34 c CB 3.310 45.834 42.510 0.024 0.000 2.020 34 c HN 0.008 8.244 8.230 0.010 0.000 0.474 35 V N 0.936 120.737 119.914 -0.189 0.000 2.483 35 V HA 0.605 4.984 4.120 0.085 -0.208 0.297 35 V C -1.112 174.942 176.094 -0.067 0.000 1.027 35 V CA -1.710 60.564 62.300 -0.043 0.000 0.855 35 V CB 2.401 34.193 31.823 -0.051 0.000 0.995 35 V HN 0.774 8.747 8.190 -0.362 0.000 0.424 36 Y N 6.790 127.149 120.300 0.098 0.000 2.336 36 Y HA 0.215 5.088 4.550 0.201 -0.202 0.335 36 Y C -0.511 175.435 175.900 0.077 0.000 1.046 36 Y CA -0.269 57.921 58.100 0.150 0.000 1.198 36 Y CB 1.150 39.723 38.460 0.187 0.000 1.182 36 Y HN 0.616 9.187 8.280 0.484 0.000 0.502 37 V N 4.031 124.054 119.914 0.181 0.000 2.311 37 V HA 0.206 4.523 4.120 0.106 -0.133 0.275 37 V C -1.178 174.999 176.094 0.138 0.000 1.022 37 V CA -0.758 61.606 62.300 0.107 0.000 0.830 37 V CB 0.122 31.953 31.823 0.013 0.000 1.012 37 V HN 0.542 8.825 8.190 0.156 0.000 0.452 38 I N 9.253 129.910 120.570 0.145 0.000 2.287 38 I HA 0.367 4.809 4.170 0.159 -0.176 0.290 38 I C -1.376 174.813 176.117 0.120 0.000 1.069 38 I CA -0.091 61.295 61.300 0.144 0.000 1.237 38 I CB -0.495 37.586 38.000 0.135 0.000 1.418 38 I HN 0.176 8.467 8.210 0.135 0.000 0.481 39 D N 6.593 127.060 120.400 0.112 0.000 4.052 39 D HA 0.240 4.948 4.640 0.113 0.000 0.347 39 D C -0.698 175.642 176.300 0.067 0.000 1.574 39 D CA 0.088 54.153 54.000 0.109 0.000 0.972 39 D CB 2.728 43.610 40.800 0.137 0.000 1.472 39 D HN 0.268 8.705 8.370 0.112 0.000 0.623 40 T N -0.550 114.028 114.554 0.040 0.000 3.194 40 T HA 0.123 4.643 4.350 -0.070 -0.212 0.251 40 T C 0.108 174.774 174.700 -0.056 0.000 1.132 40 T CA 0.965 63.039 62.100 -0.043 0.000 1.028 40 T CB 0.219 69.038 68.868 -0.080 0.000 0.976 40 T HN 0.279 8.570 8.240 0.084 0.000 0.535 41 G N -0.553 108.234 108.800 -0.022 0.000 2.434 41 G HA2 -0.218 3.727 3.960 -0.025 0.000 0.671 41 G HA3 -0.218 3.707 3.960 -0.059 0.000 0.671 41 G C -3.142 171.721 174.900 -0.062 0.000 1.280 41 G CA -0.729 44.347 45.100 -0.041 0.000 0.975 41 G HN -0.612 7.610 8.290 0.007 0.072 0.510 42 I N -1.357 119.164 120.570 -0.081 0.000 2.607 42 I HA 0.147 4.262 4.170 -0.093 0.000 0.290 42 I C -1.317 174.763 176.117 -0.063 0.000 1.129 42 I CA -1.037 60.193 61.300 -0.117 0.000 1.042 42 I CB 4.018 41.860 38.000 -0.263 0.000 1.242 42 I HN -0.320 7.846 8.210 -0.073 0.000 0.421 43 E N 7.047 127.268 120.200 0.035 0.000 1.791 43 E HA -0.012 4.371 4.350 0.054 0.000 0.263 43 E C 0.144 176.869 176.600 0.209 0.000 1.213 43 E CA -1.001 55.467 56.400 0.112 0.000 0.991 43 E CB -0.210 29.583 29.700 0.156 0.000 1.068 43 E HN 0.213 8.616 8.360 0.071 0.000 0.417 44 A N 6.831 129.695 122.820 0.073 0.000 2.070 44 A HA -0.264 4.045 4.320 -0.018 0.000 0.220 44 A C 0.806 178.512 177.584 0.203 0.000 1.159 44 A CA 2.509 54.585 52.037 0.065 0.000 0.656 44 A CB -0.364 18.624 19.000 -0.020 0.000 0.800 44 A HN -0.006 8.158 8.150 0.023 0.000 0.453 45 S N -5.394 110.405 115.700 0.165 0.000 2.555 45 S HA -0.216 4.323 4.470 0.115 0.000 0.230 45 S C 0.331 175.032 174.600 0.170 0.000 0.978 45 S CA 0.378 58.658 58.200 0.134 0.000 0.934 45 S CB -0.150 63.092 63.200 0.069 0.000 0.766 45 S HN -0.390 7.970 8.310 0.132 0.029 0.533 46 H N 6.250 125.424 119.070 0.173 0.000 3.070 46 H HA -0.010 4.568 4.556 0.037 0.000 0.313 46 H C -0.531 174.797 175.328 0.001 0.000 0.997 46 H CA 0.238 56.325 56.048 0.065 0.000 1.438 46 H CB 1.063 30.824 29.762 -0.002 0.000 1.455 46 H HN -0.607 7.893 8.280 0.448 0.049 0.575 47 P HA -0.340 nan 4.420 nan 0.000 0.217 47 P C 2.464 179.820 177.300 0.092 0.000 1.148 47 P CA 2.036 65.200 63.100 0.107 0.000 0.828 47 P CB 0.069 31.793 31.700 0.039 0.000 0.783 48 E N -1.701 118.567 120.200 0.115 0.000 2.265 48 E HA -0.168 4.099 4.350 -0.137 0.000 0.196 48 E C 1.601 177.997 176.600 -0.340 0.000 0.996 48 E CA 1.476 57.731 56.400 -0.241 0.000 0.832 48 E CB -0.361 29.001 29.700 -0.564 0.000 0.756 48 E HN 0.510 nan 8.360 nan 0.000 0.491 49 F N -2.592 117.372 119.950 0.023 0.000 2.754 49 F HA 0.071 4.565 4.527 -0.054 0.000 0.297 49 F C -0.583 175.207 175.800 -0.017 0.000 1.122 49 F CA -1.203 56.783 58.000 -0.022 0.000 1.400 49 F CB 0.394 39.380 39.000 -0.024 0.000 1.117 49 F HN -0.427 7.766 8.300 -0.128 0.030 0.587 50 E N -3.182 117.099 120.200 0.136 0.000 2.586 50 E HA -0.355 4.031 4.350 0.061 0.000 0.259 50 E C 0.092 176.736 176.600 0.073 0.000 1.107 50 E CA 0.821 57.266 56.400 0.076 0.000 0.754 50 E CB -2.333 27.391 29.700 0.041 0.000 1.335 50 E HN -0.491 7.942 8.360 0.121 0.000 0.411 51 G N -5.775 103.083 108.800 0.097 0.000 2.184 51 G HA2 -0.386 3.613 3.960 0.065 0.000 0.264 51 G HA3 -0.386 3.601 3.960 0.045 0.000 0.264 51 G C 0.369 175.286 174.900 0.029 0.000 0.975 51 G CA 0.560 45.696 45.100 0.060 0.000 0.642 51 G HN 0.553 8.907 8.290 0.137 0.018 0.536 52 R N -1.979 118.538 120.500 0.028 0.000 2.310 52 R HA -0.074 4.231 4.340 -0.058 0.000 0.202 52 R C -1.464 174.752 176.300 -0.140 0.000 0.933 52 R CA -0.050 56.022 56.100 -0.046 0.000 1.054 52 R CB 0.559 30.837 30.300 -0.038 0.000 0.985 52 R HN -0.069 8.079 8.270 0.073 0.166 0.489 53 A N -3.165 119.574 122.820 -0.135 0.000 2.325 53 A HA 0.786 5.109 4.320 -0.339 -0.206 0.333 53 A C -1.746 175.754 177.584 -0.141 0.000 1.155 53 A CA -1.893 49.976 52.037 -0.280 0.000 0.814 53 A CB 2.445 21.075 19.000 -0.616 0.000 1.206 53 A HN -0.322 7.754 8.150 -0.048 0.045 0.482 54 Q N 0.087 119.829 119.800 -0.098 0.000 2.391 54 Q HA 0.303 4.630 4.340 -0.022 0.000 0.279 54 Q C -1.472 174.543 176.000 0.025 0.000 1.028 54 Q CA -1.464 54.340 55.803 0.001 0.000 0.836 54 Q CB 3.665 32.452 28.738 0.081 0.000 1.414 54 Q HN 0.199 8.395 8.270 -0.123 0.000 0.397 55 M N 2.286 121.889 119.600 0.004 0.000 2.217 55 M HA -0.063 4.541 4.480 0.010 -0.118 0.354 55 M C 0.444 176.756 176.300 0.020 0.000 1.225 55 M CA -0.215 55.088 55.300 0.004 0.000 1.137 55 M CB -0.306 32.279 32.600 -0.026 0.000 1.576 55 M HN 0.411 8.697 8.290 -0.007 0.000 0.461 56 V N -2.097 117.835 119.914 0.030 0.000 3.548 56 V HA 0.301 4.431 4.120 0.017 0.000 0.279 56 V C -0.578 175.462 176.094 -0.089 0.000 1.446 56 V CA -1.403 60.917 62.300 0.033 0.000 1.023 56 V CB 1.626 33.516 31.823 0.112 0.000 0.820 56 V HN 0.564 8.780 8.190 0.044 0.000 0.438 57 K N -1.008 119.256 120.400 -0.227 0.000 2.572 57 K HA 0.246 4.263 4.320 -0.505 0.000 0.263 57 K C -2.650 173.714 176.600 -0.393 0.000 0.932 57 K CA 0.030 56.001 56.287 -0.527 0.000 0.838 57 K CB 3.264 35.040 32.500 -1.207 0.000 1.366 57 K HN -0.734 7.429 8.250 -0.145 0.000 0.425 58 T N 3.636 117.912 114.554 -0.463 0.000 2.900 58 T HA 0.429 4.817 4.350 -0.184 -0.148 0.303 58 T C -1.150 173.198 174.700 -0.587 0.000 1.142 58 T CA -1.214 60.693 62.100 -0.322 0.000 1.007 58 T CB 1.086 69.876 68.868 -0.129 0.000 1.156 58 T HN -0.015 7.920 8.240 -0.509 0.000 0.490 59 Y N 3.199 123.345 120.300 -0.257 0.000 2.531 59 Y HA 0.166 4.508 4.550 -0.348 0.000 0.249 59 Y C -0.840 174.633 175.900 -0.712 0.000 1.168 59 Y CA -0.209 57.593 58.100 -0.497 0.000 1.226 59 Y CB 1.191 39.286 38.460 -0.607 0.000 1.177 59 Y HN 0.255 8.541 8.280 0.011 0.000 0.527 60 Y N -2.630 117.646 120.300 -0.039 0.000 2.686 60 Y HA 0.061 4.604 4.550 -0.011 0.000 0.330 60 Y C -0.266 175.568 175.900 -0.110 0.000 1.082 60 Y CA -1.480 56.569 58.100 -0.085 0.000 1.158 60 Y CB 1.233 39.572 38.460 -0.200 0.000 1.333 60 Y HN -0.480 7.719 8.280 -0.035 0.059 0.519 61 Y N -3.584 116.815 120.300 0.165 0.000 2.256 61 Y HA -0.221 4.355 4.550 0.043 0.000 0.288 61 Y C -0.164 175.764 175.900 0.046 0.000 1.155 61 Y CA 1.057 59.199 58.100 0.071 0.000 1.203 61 Y CB 0.042 38.536 38.460 0.057 0.000 0.980 61 Y HN 0.022 8.379 8.280 0.129 0.000 0.530 62 S N -3.425 112.127 115.700 -0.247 0.000 2.599 62 S HA 0.242 4.710 4.470 -0.003 0.000 0.287 62 S C 0.050 174.568 174.600 -0.137 0.000 1.105 62 S CA -2.363 55.764 58.200 -0.121 0.000 0.899 62 S CB 1.076 64.219 63.200 -0.095 0.000 1.100 62 S HN -0.869 7.068 8.310 -0.587 0.020 0.482 63 S N 1.985 117.638 115.700 -0.078 0.000 2.575 63 S HA 0.088 4.514 4.470 -0.073 0.000 0.215 63 S C 0.019 174.576 174.600 -0.071 0.000 0.966 63 S CA 0.082 58.239 58.200 -0.072 0.000 0.911 63 S CB 0.314 63.477 63.200 -0.061 0.000 0.780 63 S HN 0.447 8.727 8.310 -0.050 0.000 0.514 64 R N 2.660 123.115 120.500 -0.075 0.000 2.537 64 R HA -0.199 4.113 4.340 -0.047 0.000 0.280 64 R C -0.868 175.373 176.300 -0.097 0.000 1.058 64 R CA 0.748 56.810 56.100 -0.063 0.000 1.057 64 R CB 0.791 31.072 30.300 -0.033 0.000 0.973 64 R HN -0.729 7.449 8.270 -0.074 0.048 0.438 65 D N 4.223 124.569 120.400 -0.089 0.000 2.359 65 D HA -0.033 4.716 4.640 -0.134 -0.189 0.250 65 D C 0.571 176.793 176.300 -0.131 0.000 1.264 65 D CA -0.082 53.844 54.000 -0.123 0.000 0.911 65 D CB -0.412 40.311 40.800 -0.129 0.000 1.056 65 D HN 0.235 8.562 8.370 -0.071 0.000 0.499 66 G N 4.288 113.010 108.800 -0.130 0.000 3.141 66 G HA2 0.010 3.926 3.960 -0.073 0.000 0.218 66 G HA3 0.010 4.128 3.960 -0.072 -0.201 0.218 66 G C -0.683 174.152 174.900 -0.108 0.000 1.170 66 G CA -0.158 44.886 45.100 -0.094 0.000 0.769 66 G HN 0.032 8.504 8.290 -0.148 -0.271 0.546 67 N N -0.011 118.585 118.700 -0.172 0.000 2.607 67 N HA -0.013 4.675 4.740 -0.086 0.000 0.207 67 N C -0.353 174.913 175.510 -0.406 0.000 1.040 67 N CA 1.295 54.243 53.050 -0.171 0.000 0.947 67 N CB 2.632 41.036 38.487 -0.139 0.000 1.293 67 N HN -0.523 7.959 8.380 -0.196 -0.220 0.446 68 G N -2.541 105.854 108.800 -0.675 0.000 2.391 68 G HA2 -0.343 2.902 3.960 -1.280 0.000 0.204 68 G HA3 -0.343 1.878 3.960 -2.898 0.000 0.204 68 G C 0.293 174.562 174.900 -1.051 0.000 1.012 68 G CA 0.190 44.362 45.100 -1.546 0.000 0.651 68 G HN -0.240 8.233 8.290 -0.462 -0.460 0.494 69 H N 5.023 123.757 119.070 -0.560 0.000 2.319 69 H HA -0.369 4.186 4.556 -0.002 0.000 0.299 69 H C 0.918 176.207 175.328 -0.066 0.000 1.092 69 H CA 5.034 60.995 56.048 -0.145 0.000 1.302 69 H CB 0.325 30.056 29.762 -0.051 0.000 1.373 69 H HN -0.193 8.218 8.280 -0.243 -0.276 0.497 70 G N -2.607 106.203 108.800 0.017 0.000 2.422 70 G HA2 -0.330 3.694 3.960 0.028 0.000 0.218 70 G HA3 -0.330 3.798 3.960 0.008 -0.163 0.218 70 G C 1.297 176.171 174.900 -0.042 0.000 1.146 70 G CA 1.994 47.095 45.100 0.000 0.000 0.769 70 G HN 0.086 8.386 8.290 0.015 0.000 0.547 71 T N 4.428 118.937 114.554 -0.075 0.000 2.746 71 T HA -0.380 4.011 4.350 0.068 0.000 0.267 71 T C 1.440 176.193 174.700 0.088 0.000 1.039 71 T CA 5.541 67.653 62.100 0.021 0.000 1.142 71 T CB -0.402 68.450 68.868 -0.027 0.000 0.866 71 T HN -0.531 7.859 8.240 -0.147 -0.238 0.444 72 H N 3.381 122.428 119.070 -0.038 0.000 2.321 72 H HA -0.146 4.610 4.556 0.054 -0.167 0.300 72 H C 2.314 177.614 175.328 -0.047 0.000 1.087 72 H CA 4.376 60.443 56.048 0.031 0.000 1.319 72 H CB 0.214 30.085 29.762 0.183 0.000 1.379 72 H HN -0.239 8.087 8.280 0.077 0.000 0.501 73 C N -1.203 118.115 119.300 0.029 0.000 2.432 73 C HA -0.376 4.067 4.460 -0.028 0.000 0.277 73 C C 2.057 177.019 174.990 -0.047 0.000 1.249 73 C CA 4.503 63.497 59.018 -0.039 0.000 1.725 73 C CB -1.975 25.715 27.740 -0.083 0.000 2.028 73 C HN -0.236 7.993 8.230 -0.002 0.000 0.477 74 A N -0.922 121.887 122.820 -0.017 0.000 1.940 74 A HA -0.302 3.985 4.320 -0.054 0.000 0.219 74 A C 1.902 179.563 177.584 0.129 0.000 1.176 74 A CA 3.160 55.190 52.037 -0.012 0.000 0.631 74 A CB -0.947 17.968 19.000 -0.141 0.000 0.814 74 A HN 0.169 8.312 8.150 -0.012 0.000 0.446 75 G N -2.644 106.251 108.800 0.158 0.000 2.422 75 G HA2 -0.334 3.726 3.960 0.166 0.000 0.218 75 G HA3 -0.334 3.560 3.960 -0.111 0.000 0.218 75 G C 1.886 176.728 174.900 -0.097 0.000 1.146 75 G CA 2.115 47.238 45.100 0.038 0.000 0.769 75 G HN -0.096 8.181 8.290 0.115 0.082 0.547 76 T N 5.170 119.606 114.554 -0.197 0.000 2.904 76 T HA -0.121 4.233 4.350 -0.347 -0.212 0.267 76 T C 1.791 176.323 174.700 -0.279 0.000 1.059 76 T CA 4.036 65.943 62.100 -0.322 0.000 1.137 76 T CB -0.176 68.437 68.868 -0.424 0.000 0.879 76 T HN -0.535 7.500 8.240 -0.196 0.087 0.467 77 V N 0.546 120.364 119.914 -0.161 0.000 2.261 77 V HA -0.250 3.918 4.120 -0.134 -0.128 0.246 77 V C 1.558 177.591 176.094 -0.101 0.000 1.047 77 V CA 4.192 66.421 62.300 -0.118 0.000 1.015 77 V CB -0.160 31.617 31.823 -0.075 0.000 0.642 77 V HN -0.378 7.739 8.190 -0.122 0.000 0.446 78 G N -6.327 102.444 108.800 -0.048 0.000 4.162 78 G HA2 0.255 4.370 3.960 -0.058 0.000 0.252 78 G HA3 0.255 4.205 3.960 -0.016 0.000 0.252 78 G C -1.800 173.124 174.900 0.040 0.000 1.064 78 G CA -0.283 44.805 45.100 -0.020 0.000 0.850 78 G HN -0.269 8.016 8.290 -0.010 0.000 0.454 79 S N 1.069 116.784 115.700 0.024 0.000 2.593 79 S HA 0.186 4.741 4.470 -0.044 -0.112 0.269 79 S C 1.413 175.924 174.600 -0.149 0.000 1.334 79 S CA -0.295 57.847 58.200 -0.096 0.000 1.015 79 S CB 1.964 65.004 63.200 -0.266 0.000 0.912 79 S HN -0.505 7.703 8.310 0.012 0.110 0.541 80 R N 0.744 121.142 120.500 -0.171 0.000 2.081 80 R HA -0.276 3.989 4.340 -0.126 0.000 0.235 80 R C 2.038 178.189 176.300 -0.248 0.000 1.131 80 R CA 3.177 59.179 56.100 -0.163 0.000 0.960 80 R CB -0.465 29.764 30.300 -0.119 0.000 0.856 80 R HN 0.298 8.460 8.270 -0.180 0.000 0.436 81 T N 0.333 114.632 114.554 -0.425 0.000 2.983 81 T HA 0.012 4.092 4.350 -0.451 0.000 0.250 81 T C 1.251 175.503 174.700 -0.747 0.000 1.037 81 T CA 3.566 65.260 62.100 -0.676 0.000 1.142 81 T CB 1.286 69.503 68.868 -1.085 0.000 0.876 81 T HN 0.088 8.427 8.240 -0.443 -0.364 0.455 82 Y N -1.009 119.165 120.300 -0.210 0.000 2.458 82 Y HA 0.046 4.454 4.550 -0.236 0.000 0.256 82 Y C -0.237 175.480 175.900 -0.305 0.000 1.159 82 Y CA -0.223 57.724 58.100 -0.256 0.000 1.261 82 Y CB 0.002 38.288 38.460 -0.291 0.000 1.119 82 Y HN -0.555 7.426 8.280 -0.499 0.000 0.524 83 G N -2.186 106.488 108.800 -0.209 0.000 2.410 83 G HA2 0.286 4.268 3.960 -0.242 0.000 0.330 83 G HA3 0.286 4.295 3.960 -0.169 -0.151 0.330 83 G C -0.521 174.216 174.900 -0.272 0.000 1.142 83 G CA -1.230 43.737 45.100 -0.221 0.000 0.902 83 G HN -0.545 7.560 8.290 -0.226 0.050 0.491 84 V N 3.146 122.891 119.914 -0.281 0.000 2.323 84 V HA -0.262 3.649 4.120 -0.348 0.000 0.244 84 V C 0.270 176.279 176.094 -0.141 0.000 1.041 84 V CA 2.831 64.984 62.300 -0.246 0.000 1.025 84 V CB 0.257 31.957 31.823 -0.204 0.000 0.656 84 V HN -0.010 8.016 8.190 -0.274 0.000 0.451 85 A N -1.515 121.244 122.820 -0.101 0.000 2.654 85 A HA 0.204 4.526 4.320 0.005 0.000 0.345 85 A C -0.741 176.804 177.584 -0.065 0.000 1.368 85 A CA -1.218 50.800 52.037 -0.032 0.000 0.895 85 A CB -0.843 18.172 19.000 0.026 0.000 1.143 85 A HN -0.053 8.033 8.150 -0.106 0.000 0.490 86 K N 3.552 123.885 120.400 -0.111 0.000 2.525 86 K HA -0.124 4.138 4.320 -0.097 0.000 0.192 86 K C 0.803 177.378 176.600 -0.041 0.000 1.029 86 K CA 1.960 58.188 56.287 -0.099 0.000 1.029 86 K CB -0.073 32.335 32.500 -0.152 0.000 0.814 86 K HN 0.531 8.686 8.250 -0.158 0.000 0.503 87 K N -4.422 115.964 120.400 -0.022 0.000 2.469 87 K HA 0.337 4.647 4.320 -0.018 0.000 0.204 87 K C -0.678 175.898 176.600 -0.039 0.000 1.047 87 K CA -0.970 55.307 56.287 -0.017 0.000 1.072 87 K CB 1.285 33.788 32.500 0.004 0.000 0.863 87 K HN -0.203 7.984 8.250 -0.015 0.054 0.530 88 T N 2.238 116.759 114.554 -0.054 0.000 2.813 88 T HA -0.110 4.325 4.350 -0.086 -0.136 0.297 88 T C -0.746 173.857 174.700 -0.162 0.000 1.036 88 T CA 0.868 62.910 62.100 -0.096 0.000 1.044 88 T CB 1.213 70.026 68.868 -0.090 0.000 0.993 88 T HN -0.694 7.518 8.240 -0.046 0.000 0.535 89 Q N 2.619 122.264 119.800 -0.259 0.000 2.256 89 Q HA 0.342 4.601 4.340 -0.361 -0.136 0.254 89 Q C -0.910 174.678 176.000 -0.687 0.000 0.916 89 Q CA -0.755 54.776 55.803 -0.452 0.000 0.932 89 Q CB 1.083 29.511 28.738 -0.517 0.000 1.207 89 Q HN -0.192 7.934 8.270 -0.240 0.000 0.426 90 L N 3.097 123.920 121.223 -0.665 0.000 2.307 90 L HA 0.665 4.865 4.340 -0.562 -0.197 0.284 90 L C -1.244 175.221 176.870 -0.675 0.000 1.023 90 L CA -0.971 53.504 54.840 -0.609 0.000 0.810 90 L CB 2.027 43.819 42.059 -0.444 0.000 1.231 90 L HN 0.377 8.280 8.230 -0.545 0.000 0.423 91 F N 1.433 121.186 119.950 -0.327 0.000 2.477 91 F HA 0.732 5.301 4.527 -0.245 -0.189 0.335 91 F C 0.069 175.782 175.800 -0.145 0.000 1.130 91 F CA -2.627 55.183 58.000 -0.317 0.000 0.948 91 F CB 2.899 41.495 39.000 -0.674 0.000 1.154 91 F HN 0.416 8.475 8.300 -0.401 0.000 0.439 92 G N 1.862 110.722 108.800 0.099 0.000 2.332 92 G HA2 0.534 4.687 3.960 0.066 0.000 0.310 92 G HA3 0.534 4.497 3.960 0.005 0.000 0.310 92 G C -2.293 172.676 174.900 0.115 0.000 1.123 92 G CA -1.163 43.977 45.100 0.067 0.000 0.873 92 G HN 0.796 9.139 8.290 0.089 0.000 0.460 93 V N 4.760 124.759 119.914 0.141 0.000 2.376 93 V HA 0.333 4.636 4.120 0.021 -0.171 0.287 93 V C -1.812 174.348 176.094 0.111 0.000 1.015 93 V CA -1.778 60.589 62.300 0.111 0.000 0.834 93 V CB 1.940 33.891 31.823 0.213 0.000 1.001 93 V HN 0.071 8.350 8.190 0.149 0.000 0.428 94 K N 8.742 129.193 120.400 0.085 0.000 2.206 94 K HA 0.326 4.929 4.320 0.115 -0.214 0.268 94 K C -0.237 176.571 176.600 0.346 0.000 1.111 94 K CA -1.253 55.123 56.287 0.148 0.000 0.955 94 K CB -0.242 32.314 32.500 0.093 0.000 1.406 94 K HN 0.425 8.687 8.250 0.019 0.000 0.427 95 V N 1.300 121.388 119.914 0.290 0.000 3.590 95 V HA 0.140 4.467 4.120 0.346 0.000 0.265 95 V C -1.066 175.222 176.094 0.323 0.000 1.239 95 V CA 0.023 62.495 62.300 0.287 0.000 1.117 95 V CB 0.583 32.459 31.823 0.089 0.000 0.818 95 V HN -0.262 8.049 8.190 0.201 0.000 0.451 96 L N 0.241 121.562 121.223 0.163 0.000 2.317 96 L HA 0.374 4.862 4.340 0.003 -0.146 0.281 96 L C -0.628 176.018 176.870 -0.372 0.000 1.024 96 L CA -1.724 53.093 54.840 -0.039 0.000 0.810 96 L CB 1.826 43.845 42.059 -0.067 0.000 1.240 96 L HN -0.621 7.685 8.230 0.127 0.000 0.427 97 D N 2.828 122.859 120.400 -0.615 0.000 2.380 97 D HA -0.094 3.784 4.640 -1.270 0.000 0.254 97 D C 0.926 176.977 176.300 -0.414 0.000 1.288 97 D CA -1.049 52.450 54.000 -0.836 0.000 1.008 97 D CB 0.458 40.845 40.800 -0.688 0.000 1.099 97 D HN 0.573 8.692 8.370 -0.418 0.000 0.537 98 D N -3.838 116.364 120.400 -0.329 0.000 2.363 98 D HA -0.162 4.360 4.640 -0.197 0.000 0.220 98 D C 0.026 176.250 176.300 -0.127 0.000 0.994 98 D CA 2.157 56.041 54.000 -0.193 0.000 0.890 98 D CB -0.500 40.221 40.800 -0.131 0.000 0.906 98 D HN 0.258 8.420 8.370 -0.347 0.000 0.530 99 N N -2.795 115.827 118.700 -0.130 0.000 2.336 99 N HA -0.084 4.618 4.740 -0.064 0.000 0.189 99 N C 0.565 176.008 175.510 -0.111 0.000 1.113 99 N CA -0.028 52.968 53.050 -0.090 0.000 0.858 99 N CB 0.531 38.977 38.487 -0.069 0.000 0.970 99 N HN -0.503 7.955 8.380 -0.156 -0.172 0.471 100 G N -0.684 108.024 108.800 -0.154 0.000 2.141 100 G HA2 -0.378 3.459 3.960 -0.205 0.000 0.242 100 G HA3 -0.378 3.462 3.960 -0.199 0.000 0.242 100 G C -0.927 173.874 174.900 -0.166 0.000 0.982 100 G CA 0.254 45.242 45.100 -0.186 0.000 0.662 100 G HN -0.004 8.067 8.290 -0.177 0.113 0.527 101 S N 0.936 116.554 115.700 -0.136 0.000 2.578 101 S HA 0.283 4.696 4.470 -0.094 0.000 0.301 101 S C -1.558 173.007 174.600 -0.058 0.000 1.091 101 S CA -0.870 57.273 58.200 -0.096 0.000 1.032 101 S CB 2.070 65.223 63.200 -0.079 0.000 1.064 101 S HN -0.419 8.046 8.310 -0.148 -0.244 0.508 102 G N -0.377 108.411 108.800 -0.021 0.000 2.742 102 G HA2 0.097 4.126 3.960 0.114 0.000 0.296 102 G HA3 0.097 4.249 3.960 0.087 -0.139 0.296 102 G C -1.708 173.192 174.900 -0.000 0.000 1.436 102 G CA -0.125 45.008 45.100 0.054 0.000 0.928 102 G HN -0.040 8.222 8.290 -0.046 0.000 0.520 103 Q N 1.679 121.486 119.800 0.011 0.000 2.392 103 Q HA 0.013 4.303 4.340 -0.083 0.000 0.262 103 Q C 1.140 177.169 176.000 0.049 0.000 1.003 103 Q CA -0.280 55.508 55.803 -0.025 0.000 0.888 103 Q CB 0.756 29.484 28.738 -0.017 0.000 1.260 103 Q HN 0.288 8.585 8.270 0.045 0.000 0.435 104 Y N 2.216 122.485 120.300 -0.052 0.000 2.256 104 Y HA -0.406 4.105 4.550 -0.066 0.000 0.288 104 Y C 1.996 177.841 175.900 -0.093 0.000 1.155 104 Y CA 2.534 60.594 58.100 -0.067 0.000 1.203 104 Y CB -0.508 37.916 38.460 -0.060 0.000 0.980 104 Y HN 0.530 8.828 8.280 0.029 0.000 0.530 105 S N -2.678 113.061 115.700 0.064 0.000 2.370 105 S HA -0.397 4.055 4.470 -0.028 0.000 0.226 105 S C 2.217 176.740 174.600 -0.128 0.000 1.033 105 S CA 3.078 61.259 58.200 -0.031 0.000 1.011 105 S CB -0.560 62.618 63.200 -0.035 0.000 0.852 105 S HN 0.264 8.606 8.310 0.069 0.010 0.457 106 T N 5.416 119.865 114.554 -0.175 0.000 2.777 106 T HA -0.256 3.740 4.350 -0.590 0.000 0.266 106 T C 1.826 176.289 174.700 -0.394 0.000 1.040 106 T CA 3.819 65.670 62.100 -0.415 0.000 1.141 106 T CB -0.209 68.445 68.868 -0.356 0.000 0.868 106 T HN -0.724 7.448 8.240 -0.112 0.000 0.444 107 I N 1.675 122.157 120.570 -0.147 0.000 2.226 107 I HA -0.516 3.607 4.170 -0.078 0.000 0.245 107 I C 1.650 177.712 176.117 -0.091 0.000 1.100 107 I CA 4.335 65.593 61.300 -0.071 0.000 1.374 107 I CB -0.237 37.797 38.000 0.056 0.000 1.057 107 I HN -0.482 7.691 8.210 -0.062 0.000 0.413 108 I N -0.490 120.020 120.570 -0.101 0.000 2.179 108 I HA -0.598 3.518 4.170 -0.090 0.000 0.242 108 I C 1.531 177.601 176.117 -0.078 0.000 1.088 108 I CA 4.450 65.694 61.300 -0.094 0.000 1.357 108 I CB -0.326 37.617 38.000 -0.095 0.000 1.051 108 I HN -0.114 8.043 8.210 -0.089 0.000 0.409 109 A N -0.917 121.826 122.820 -0.129 0.000 1.940 109 A HA -0.331 3.988 4.320 -0.002 0.000 0.219 109 A C 2.047 179.661 177.584 0.051 0.000 1.176 109 A CA 3.088 55.084 52.037 -0.068 0.000 0.631 109 A CB -0.938 17.964 19.000 -0.163 0.000 0.814 109 A HN -0.292 7.749 8.150 -0.183 0.000 0.446 110 G N -2.386 106.386 108.800 -0.047 0.000 2.408 110 G HA2 -0.351 3.819 3.960 0.349 0.000 0.217 110 G HA3 -0.351 3.676 3.960 0.111 0.000 0.217 110 G C 1.308 176.307 174.900 0.165 0.000 1.150 110 G CA 1.755 46.953 45.100 0.163 0.000 0.776 110 G HN -0.196 7.962 8.290 -0.210 0.006 0.542 111 M N 1.735 121.368 119.600 0.055 0.000 2.099 111 M HA -0.443 4.045 4.480 0.014 0.000 0.262 111 M C 1.857 178.160 176.300 0.004 0.000 1.067 111 M CA 4.383 59.692 55.300 0.016 0.000 1.124 111 M CB -0.120 32.467 32.600 -0.022 0.000 1.353 111 M HN -0.495 7.802 8.290 0.013 0.000 0.410 112 D N -0.787 119.625 120.400 0.020 0.000 2.178 112 D HA -0.262 4.357 4.640 -0.035 0.000 0.201 112 D C 2.428 178.736 176.300 0.012 0.000 0.980 112 D CA 3.461 57.463 54.000 0.003 0.000 0.842 112 D CB -0.317 40.488 40.800 0.007 0.000 0.948 112 D HN -0.363 8.020 8.370 0.021 0.000 0.472 113 F N 1.776 121.710 119.950 -0.027 0.000 2.095 113 F HA -0.372 4.139 4.527 -0.026 0.000 0.298 113 F C 1.229 176.955 175.800 -0.124 0.000 1.104 113 F CA 3.462 61.444 58.000 -0.030 0.000 1.232 113 F CB 0.310 39.342 39.000 0.052 0.000 0.987 113 F HN -0.146 8.229 8.300 0.275 0.090 0.475 114 V N -0.879 118.942 119.914 -0.156 0.000 2.343 114 V HA -0.579 3.078 4.120 -0.773 0.000 0.247 114 V C 1.984 177.781 176.094 -0.494 0.000 1.051 114 V CA 3.939 65.914 62.300 -0.542 0.000 1.036 114 V CB -1.072 30.424 31.823 -0.545 0.000 0.654 114 V HN -0.416 7.803 8.190 0.048 0.000 0.451 115 A N -0.457 122.191 122.820 -0.285 0.000 1.940 115 A HA -0.307 3.896 4.320 -0.195 0.000 0.219 115 A C 2.042 179.495 177.584 -0.218 0.000 1.176 115 A CA 2.994 54.907 52.037 -0.207 0.000 0.631 115 A CB -0.751 18.172 19.000 -0.128 0.000 0.814 115 A HN -0.336 7.687 8.150 -0.212 0.000 0.446 116 S N -1.673 113.864 115.700 -0.272 0.000 2.371 116 S HA -0.209 4.148 4.470 -0.189 0.000 0.221 116 S C 2.149 176.548 174.600 -0.334 0.000 1.036 116 S CA 2.350 60.392 58.200 -0.263 0.000 0.965 116 S CB 0.085 63.138 63.200 -0.246 0.000 0.845 116 S HN -0.521 7.608 8.310 -0.296 0.003 0.475 117 D N 2.153 122.214 120.400 -0.565 0.000 2.218 117 D HA -0.206 4.147 4.640 -0.479 0.000 0.204 117 D C 2.338 178.492 176.300 -0.243 0.000 0.976 117 D CA 2.811 56.481 54.000 -0.550 0.000 0.853 117 D CB 0.183 40.403 40.800 -0.966 0.000 0.939 117 D HN 0.103 8.036 8.370 -0.728 0.000 0.481 118 K N -1.809 118.485 120.400 -0.177 0.000 2.211 118 K HA -0.286 4.128 4.320 0.157 0.000 0.204 118 K C 2.136 178.721 176.600 -0.025 0.000 1.047 118 K CA 2.695 58.991 56.287 0.015 0.000 0.935 118 K CB -0.666 31.854 32.500 0.033 0.000 0.728 118 K HN -0.429 7.636 8.250 -0.273 0.021 0.452 119 N N -1.066 117.585 118.700 -0.082 0.000 2.550 119 N HA -0.081 4.636 4.740 -0.039 0.000 0.186 119 N C 0.781 176.252 175.510 -0.065 0.000 1.110 119 N CA 1.831 54.843 53.050 -0.064 0.000 0.912 119 N CB 0.130 38.573 38.487 -0.075 0.000 0.968 119 N HN -0.192 8.097 8.380 -0.121 0.019 0.448 120 N N -2.323 116.322 118.700 -0.091 0.000 2.236 120 N HA 0.009 4.709 4.740 -0.068 0.000 0.196 120 N C -1.029 174.433 175.510 -0.081 0.000 1.114 120 N CA 0.531 53.528 53.050 -0.089 0.000 0.859 120 N CB 0.758 39.174 38.487 -0.119 0.000 0.982 120 N HN -0.013 8.121 8.380 -0.115 0.176 0.493 121 R N -0.836 119.629 120.500 -0.058 0.000 2.854 121 R HA 0.275 4.598 4.340 -0.029 0.000 0.271 121 R C -1.314 175.018 176.300 0.054 0.000 0.996 121 R CA -2.083 54.006 56.100 -0.019 0.000 0.961 121 R CB 1.786 32.049 30.300 -0.061 0.000 1.182 121 R HN -0.587 7.505 8.270 -0.039 0.154 0.479 122 N N 2.121 120.876 118.700 0.092 0.000 2.485 122 N HA 0.107 4.878 4.740 0.052 0.000 0.243 122 N C -1.188 174.375 175.510 0.089 0.000 0.987 122 N CA -0.191 52.902 53.050 0.072 0.000 0.940 122 N CB 0.259 38.777 38.487 0.052 0.000 1.122 122 N HN 0.195 8.646 8.380 0.119 0.000 0.509 123 c N 2.990 121.635 118.600 0.076 0.000 3.465 123 c HA 0.524 5.238 4.570 0.056 -0.110 0.193 123 c C -0.971 173.142 174.090 0.039 0.000 1.515 123 c CA -2.364 54.007 56.329 0.070 0.000 1.340 123 c CB -1.236 41.344 42.510 0.117 0.000 1.928 123 c HN 0.536 8.804 8.230 0.063 0.000 0.510 124 P HA -0.140 4.287 4.420 0.011 0.000 0.222 124 P C -0.242 177.058 177.300 0.000 0.000 1.147 124 P CA 1.650 64.755 63.100 0.009 0.000 0.790 124 P CB -0.057 31.645 31.700 0.003 0.000 0.780 125 K N -4.224 116.174 120.400 -0.003 0.000 2.404 125 K HA 0.197 4.504 4.320 -0.022 0.000 0.194 125 K C -0.066 176.530 176.600 -0.007 0.000 1.023 125 K CA -1.136 55.141 56.287 -0.016 0.000 1.094 125 K CB 0.554 33.036 32.500 -0.030 0.000 0.841 125 K HN -0.284 7.940 8.250 -0.001 0.025 0.523 126 G N -2.718 106.090 108.800 0.013 0.000 2.423 126 G HA2 -0.210 3.770 3.960 0.033 0.000 0.684 126 G HA3 -0.210 3.761 3.960 0.018 0.000 0.684 126 G C -2.790 172.144 174.900 0.057 0.000 1.309 126 G CA -0.645 44.472 45.100 0.028 0.000 0.950 126 G HN -0.411 7.735 8.290 0.021 0.156 0.587 127 V N -0.352 119.609 119.914 0.078 0.000 2.656 127 V HA 0.788 5.184 4.120 0.156 -0.182 0.307 127 V C -1.214 174.953 176.094 0.122 0.000 1.051 127 V CA -1.808 60.575 62.300 0.137 0.000 0.893 127 V CB 2.877 34.809 31.823 0.181 0.000 0.999 127 V HN 0.270 8.498 8.190 0.062 0.000 0.426 128 V N 5.088 125.095 119.914 0.155 0.000 2.823 128 V HA 0.607 4.949 4.120 0.100 -0.162 0.312 128 V C -2.192 174.016 176.094 0.190 0.000 1.072 128 V CA -2.388 59.988 62.300 0.128 0.000 0.937 128 V CB 4.058 35.934 31.823 0.088 0.000 1.013 128 V HN 0.506 8.808 8.190 0.186 0.000 0.430 129 A N 4.175 127.077 122.820 0.137 0.000 2.356 129 A HA 0.763 5.399 4.320 0.224 -0.182 0.310 129 A C -2.323 175.324 177.584 0.104 0.000 1.075 129 A CA -1.908 50.219 52.037 0.150 0.000 0.746 129 A CB 3.502 22.555 19.000 0.090 0.000 1.221 129 A HN 0.860 9.070 8.150 0.100 0.000 0.443 130 S N 2.505 118.271 115.700 0.109 0.000 2.474 130 S HA 0.705 5.363 4.470 0.070 -0.145 0.321 130 S C -1.533 173.118 174.600 0.085 0.000 1.080 130 S CA -2.026 56.222 58.200 0.080 0.000 1.106 130 S CB 1.197 64.432 63.200 0.060 0.000 0.984 130 S HN 0.548 8.939 8.310 0.135 0.000 0.464 131 L N 8.349 129.617 121.223 0.076 0.000 2.408 131 L HA 0.443 4.837 4.340 0.091 0.000 0.257 131 L C -1.288 175.636 176.870 0.089 0.000 1.053 131 L CA -0.739 54.149 54.840 0.080 0.000 0.922 131 L CB 0.816 42.912 42.059 0.060 0.000 1.261 131 L HN 0.371 8.642 8.230 0.067 0.000 0.458 132 S N 4.424 120.195 115.700 0.118 0.000 4.120 132 S HA 0.038 4.583 4.470 0.125 0.000 0.196 132 S C -0.929 173.784 174.600 0.188 0.000 1.447 132 S CA 0.152 58.447 58.200 0.158 0.000 0.939 132 S CB -1.144 62.158 63.200 0.170 0.000 1.496 132 S HN 0.421 8.805 8.310 0.123 0.000 0.460 133 L N -3.123 118.168 121.223 0.113 0.000 2.838 133 L HA 0.385 4.760 4.340 0.057 0.000 0.266 133 L C -2.152 174.770 176.870 0.086 0.000 1.040 133 L CA -0.497 54.392 54.840 0.081 0.000 0.906 133 L CB 1.890 43.995 42.059 0.077 0.000 1.501 133 L HN -0.755 7.488 8.230 0.098 0.045 0.407 134 G N -1.846 107.016 108.800 0.103 0.000 2.320 134 G HA2 0.148 4.300 3.960 0.225 0.000 0.297 134 G HA3 0.148 4.231 3.960 0.151 -0.033 0.297 134 G C -2.015 173.006 174.900 0.201 0.000 1.344 134 G CA 0.110 45.315 45.100 0.174 0.000 0.851 134 G HN 0.005 8.344 8.290 0.082 0.000 0.567 135 G N -2.296 106.704 108.800 0.332 0.000 2.871 135 G HA2 0.416 4.508 3.960 0.221 0.000 0.282 135 G HA3 0.416 4.480 3.960 0.173 0.000 0.282 135 G C -1.648 173.497 174.900 0.408 0.000 1.212 135 G CA 0.062 45.337 45.100 0.291 0.000 0.812 135 G HN 0.058 8.585 8.290 0.395 0.000 0.547 136 G N -1.690 107.275 108.800 0.276 0.000 2.636 136 G HA2 -0.025 4.061 3.960 0.009 0.000 0.246 136 G HA3 -0.025 3.988 3.960 0.090 0.000 0.246 136 G C -1.081 173.927 174.900 0.180 0.000 1.216 136 G CA -0.955 44.230 45.100 0.142 0.000 0.854 136 G HN -0.098 8.300 8.290 0.180 0.000 0.572 137 Y N 1.534 121.809 120.300 -0.043 0.000 2.810 137 Y HA -0.350 4.185 4.550 -0.026 0.000 0.332 137 Y C 1.187 177.095 175.900 0.013 0.000 1.243 137 Y CA 1.095 59.176 58.100 -0.032 0.000 1.537 137 Y CB 0.096 38.505 38.460 -0.083 0.000 1.265 137 Y HN -0.362 7.965 8.280 0.078 0.000 0.572 138 S N 7.338 122.549 115.700 -0.815 0.000 2.720 138 S HA 0.338 4.602 4.470 -0.344 0.000 0.278 138 S C 0.067 174.181 174.600 -0.811 0.000 1.172 138 S CA -1.190 56.653 58.200 -0.596 0.000 1.019 138 S CB 1.138 64.067 63.200 -0.450 0.000 1.049 138 S HN 0.310 nan 8.310 nan 0.000 0.483 139 S N 7.543 122.926 115.700 -0.527 0.000 2.399 139 S HA -0.228 4.020 4.470 -0.369 0.000 0.231 139 S C 1.849 176.312 174.600 -0.228 0.000 1.022 139 S CA 1.962 59.987 58.200 -0.293 0.000 0.983 139 S CB 0.247 63.437 63.200 -0.016 0.000 0.803 139 S HN 0.494 8.623 8.310 -0.302 0.000 0.480 140 S N 3.114 118.688 115.700 -0.211 0.000 2.368 140 S HA -0.231 4.161 4.470 -0.130 0.000 0.224 140 S C 1.827 176.286 174.600 -0.235 0.000 1.029 140 S CA 2.901 60.997 58.200 -0.174 0.000 0.988 140 S CB -0.153 62.969 63.200 -0.129 0.000 0.838 140 S HN -0.575 7.600 8.310 -0.204 0.012 0.462 141 V N 2.105 121.794 119.914 -0.375 0.000 2.358 141 V HA -0.426 3.484 4.120 -0.351 0.000 0.246 141 V C 1.628 177.546 176.094 -0.293 0.000 1.047 141 V CA 3.707 65.754 62.300 -0.423 0.000 1.035 141 V CB -0.453 30.911 31.823 -0.766 0.000 0.658 141 V HN -0.471 7.450 8.190 -0.448 0.000 0.452 142 N N -0.406 118.111 118.700 -0.305 0.000 2.120 142 N HA -0.321 4.318 4.740 -0.168 0.000 0.188 142 N C 2.162 177.595 175.510 -0.128 0.000 1.024 142 N CA 3.059 55.990 53.050 -0.198 0.000 0.852 142 N CB -0.779 37.592 38.487 -0.194 0.000 1.003 142 N HN -0.278 7.871 8.380 -0.385 0.000 0.424 143 S N 0.648 116.272 115.700 -0.127 0.000 2.382 143 S HA -0.342 4.090 4.470 -0.063 0.000 0.228 143 S C 1.549 176.102 174.600 -0.078 0.000 1.027 143 S CA 3.141 61.291 58.200 -0.083 0.000 0.991 143 S CB -0.373 62.783 63.200 -0.073 0.000 0.823 143 S HN -0.119 8.099 8.310 -0.154 0.000 0.469 144 A N 1.139 123.900 122.820 -0.098 0.000 1.902 144 A HA -0.300 3.979 4.320 -0.068 0.000 0.217 144 A C 1.490 179.033 177.584 -0.069 0.000 1.181 144 A CA 2.894 54.882 52.037 -0.082 0.000 0.623 144 A CB -0.704 18.238 19.000 -0.097 0.000 0.818 144 A HN -0.451 7.625 8.150 -0.124 0.000 0.443 145 A N -1.792 120.981 122.820 -0.077 0.000 1.930 145 A HA -0.231 4.062 4.320 -0.046 0.000 0.217 145 A C 1.686 179.246 177.584 -0.039 0.000 1.175 145 A CA 2.676 54.681 52.037 -0.054 0.000 0.627 145 A CB -0.505 18.462 19.000 -0.056 0.000 0.815 145 A HN -0.391 7.700 8.150 -0.098 0.000 0.443 146 A N -1.131 121.664 122.820 -0.042 0.000 1.902 146 A HA -0.178 4.130 4.320 -0.020 0.000 0.217 146 A C 2.127 179.694 177.584 -0.028 0.000 1.181 146 A CA 2.687 54.708 52.037 -0.028 0.000 0.623 146 A CB -0.551 18.433 19.000 -0.026 0.000 0.818 146 A HN 0.053 8.172 8.150 -0.052 0.000 0.443 147 R N -1.560 118.919 120.500 -0.036 0.000 2.081 147 R HA -0.323 3.999 4.340 -0.031 0.000 0.235 147 R C 2.314 178.591 176.300 -0.039 0.000 1.131 147 R CA 3.110 59.189 56.100 -0.036 0.000 0.960 147 R CB -0.139 30.137 30.300 -0.041 0.000 0.856 147 R HN -0.305 7.939 8.270 -0.042 0.000 0.436 148 L N -0.405 120.792 121.223 -0.043 0.000 2.012 148 L HA -0.305 3.998 4.340 -0.062 0.000 0.210 148 L C 1.713 178.562 176.870 -0.036 0.000 1.073 148 L CA 3.011 57.822 54.840 -0.050 0.000 0.748 148 L CB -0.398 41.631 42.059 -0.050 0.000 0.891 148 L HN -0.253 7.951 8.230 -0.044 0.000 0.431 149 Q N -0.672 119.115 119.800 -0.022 0.000 2.050 149 Q HA -0.281 4.308 4.340 -0.004 -0.251 0.202 149 Q C 2.902 178.896 176.000 -0.010 0.000 0.980 149 Q CA 2.398 58.195 55.803 -0.009 0.000 0.840 149 Q CB -0.432 28.304 28.738 -0.002 0.000 0.898 149 Q HN -0.344 7.912 8.270 -0.022 0.000 0.424 150 S N -0.878 114.814 115.700 -0.014 0.000 2.400 150 S HA -0.264 4.201 4.470 -0.008 0.000 0.232 150 S C 1.756 176.346 174.600 -0.017 0.000 1.025 150 S CA 2.477 60.669 58.200 -0.013 0.000 0.993 150 S CB -0.128 63.063 63.200 -0.015 0.000 0.808 150 S HN -0.131 8.169 8.310 -0.017 0.000 0.478 151 S N -1.959 113.725 115.700 -0.027 0.000 2.555 151 S HA -0.097 4.354 4.470 -0.031 0.000 0.230 151 S C 0.870 175.455 174.600 -0.026 0.000 0.978 151 S CA 0.790 58.970 58.200 -0.033 0.000 0.934 151 S CB 0.846 64.014 63.200 -0.052 0.000 0.766 151 S HN -0.463 7.806 8.310 -0.030 0.023 0.533 152 G N 1.097 109.887 108.800 -0.016 0.000 2.141 152 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.164 152 G HA3 -0.250 3.706 3.960 -0.006 0.000 0.164 152 G C -1.140 173.762 174.900 0.004 0.000 1.009 152 G CA -0.273 44.824 45.100 -0.005 0.000 0.677 152 G HN -0.389 7.732 8.290 -0.014 0.160 0.508 153 V N 0.176 120.090 119.914 0.001 0.000 2.459 153 V HA 0.207 4.508 4.120 0.034 -0.161 0.295 153 V C -1.086 175.023 176.094 0.025 0.000 1.029 153 V CA -1.696 60.614 62.300 0.017 0.000 0.874 153 V CB 1.885 33.704 31.823 -0.008 0.000 0.985 153 V HN -0.786 7.399 8.190 -0.007 0.000 0.438 154 M N 8.323 127.948 119.600 0.042 0.000 2.266 154 M HA 0.051 4.554 4.480 0.038 0.000 0.340 154 M C -1.973 174.356 176.300 0.048 0.000 1.486 154 M CA -1.322 54.005 55.300 0.044 0.000 1.209 154 M CB -0.832 31.799 32.600 0.051 0.000 1.714 154 M HN 0.130 8.451 8.290 0.051 0.000 0.459 155 V N 9.182 129.118 119.914 0.037 0.000 2.383 155 V HA 0.372 4.682 4.120 0.043 -0.163 0.275 155 V C -1.786 174.332 176.094 0.040 0.000 1.036 155 V CA -1.126 61.195 62.300 0.036 0.000 0.889 155 V CB 0.172 32.006 31.823 0.018 0.000 0.985 155 V HN 0.407 8.938 8.190 0.032 -0.323 0.459 156 A N 8.773 131.621 122.820 0.047 0.000 2.318 156 A HA 0.861 5.390 4.320 0.041 -0.185 0.317 156 A C -2.053 175.557 177.584 0.043 0.000 1.159 156 A CA -1.969 50.095 52.037 0.046 0.000 0.799 156 A CB 2.980 22.012 19.000 0.054 0.000 1.194 156 A HN 0.797 8.979 8.150 0.053 0.000 0.479 157 V N -0.744 119.190 119.914 0.034 0.000 2.823 157 V HA 0.950 5.278 4.120 0.045 -0.182 0.312 157 V C -1.925 174.187 176.094 0.031 0.000 1.072 157 V CA -3.767 58.554 62.300 0.035 0.000 0.937 157 V CB 3.952 35.791 31.823 0.026 0.000 1.013 157 V HN 0.488 8.695 8.190 0.027 0.000 0.430 158 A N 2.922 125.767 122.820 0.043 0.000 2.462 158 A HA 0.185 4.526 4.320 0.036 0.000 0.243 158 A C -0.956 176.637 177.584 0.014 0.000 1.076 158 A CA -0.268 51.793 52.037 0.039 0.000 0.773 158 A CB 0.678 19.715 19.000 0.062 0.000 1.010 158 A HN -0.272 7.910 8.150 0.053 0.000 0.493 159 A N 2.911 125.724 122.820 -0.012 0.000 2.014 159 A HA -0.167 4.138 4.320 -0.025 0.000 0.218 159 A C 0.495 178.042 177.584 -0.061 0.000 1.163 159 A CA 1.093 53.107 52.037 -0.037 0.000 0.652 159 A CB -0.029 18.920 19.000 -0.084 0.000 0.808 159 A HN 0.314 8.456 8.150 -0.013 0.000 0.449 160 G N -3.598 105.171 108.800 -0.053 0.000 2.570 160 G HA2 -0.121 3.779 3.960 -0.100 0.000 0.686 160 G HA3 -0.121 3.664 3.960 -0.291 0.000 0.686 160 G C -2.727 172.134 174.900 -0.065 0.000 1.257 160 G CA -0.777 44.240 45.100 -0.139 0.000 0.846 160 G HN -0.526 nan 8.290 nan 0.000 0.627 161 N N -0.268 118.386 118.700 -0.076 0.000 2.467 161 N HA 0.246 5.306 4.740 0.290 -0.146 0.278 161 N C -0.954 174.583 175.510 0.046 0.000 1.306 161 N CA -0.328 52.776 53.050 0.090 0.000 0.905 161 N CB 0.554 39.032 38.487 -0.015 0.000 1.236 161 N HN 0.247 8.532 8.380 -0.159 0.000 0.509 162 N N -1.439 117.220 118.700 -0.069 0.000 2.236 162 N HA -0.017 4.722 4.740 -0.003 0.000 0.196 162 N C -0.102 175.438 175.510 0.050 0.000 1.114 162 N CA -0.109 52.910 53.050 -0.052 0.000 0.859 162 N CB 0.419 38.775 38.487 -0.218 0.000 0.982 162 N HN -0.330 7.961 8.380 -0.147 0.000 0.493 163 N N 0.768 119.528 118.700 0.099 0.000 2.707 163 N HA -0.373 4.703 4.740 0.245 -0.189 0.253 163 N C -0.708 174.931 175.510 0.216 0.000 0.998 163 N CA 0.793 53.961 53.050 0.197 0.000 0.751 163 N CB -1.271 37.333 38.487 0.195 0.000 0.920 163 N HN -0.302 8.145 8.380 0.112 0.000 0.539 164 A N -2.913 119.851 122.820 -0.093 0.000 2.564 164 A HA 0.205 4.478 4.320 -0.079 0.000 0.288 164 A C -2.303 174.804 177.584 -0.794 0.000 1.164 164 A CA -0.710 51.183 52.037 -0.239 0.000 0.712 164 A CB 2.462 21.497 19.000 0.060 0.000 1.303 164 A HN -0.345 nan 8.150 nan 0.000 0.418 165 D N -0.051 120.042 120.400 -0.512 0.000 2.383 165 D HA -0.015 4.423 4.640 -0.655 -0.191 0.252 165 D C 1.099 177.362 176.300 -0.062 0.000 1.166 165 D CA 0.067 53.841 54.000 -0.376 0.000 0.879 165 D CB 0.847 41.595 40.800 -0.086 0.000 1.164 165 D HN 0.336 8.567 8.370 -0.231 0.000 0.462 166 A N 7.225 130.010 122.820 -0.057 0.000 2.216 166 A HA -0.175 4.305 4.320 0.266 0.000 0.214 166 A C 1.338 179.022 177.584 0.166 0.000 1.160 166 A CA 2.019 54.129 52.037 0.121 0.000 0.725 166 A CB -0.132 18.885 19.000 0.028 0.000 0.784 166 A HN 0.620 8.683 8.150 -0.144 0.000 0.472 167 R N -3.441 117.103 120.500 0.075 0.000 2.200 167 R HA -0.337 4.044 4.340 0.069 0.000 0.234 167 R C 0.941 177.259 176.300 0.031 0.000 1.127 167 R CA 2.913 59.041 56.100 0.046 0.000 0.989 167 R CB -0.544 29.750 30.300 -0.011 0.000 0.869 167 R HN -0.056 8.511 8.270 0.036 -0.275 0.459 168 N N -2.299 116.377 118.700 -0.041 0.000 2.276 168 N HA 0.041 4.685 4.740 -0.161 0.000 0.212 168 N C -1.688 173.503 175.510 -0.532 0.000 1.127 168 N CA 0.419 53.300 53.050 -0.283 0.000 0.834 168 N CB 1.090 39.316 38.487 -0.436 0.000 1.014 168 N HN -0.814 7.538 8.380 0.015 0.038 0.491 169 Y N -2.501 117.880 120.300 0.135 0.000 2.545 169 Y HA 0.371 5.130 4.550 0.128 -0.132 0.348 169 Y C -1.409 174.538 175.900 0.078 0.000 1.002 169 Y CA -1.038 57.127 58.100 0.109 0.000 1.039 169 Y CB 3.877 42.374 38.460 0.061 0.000 1.271 169 Y HN -0.489 7.841 8.280 0.195 0.067 0.467 170 S N -0.920 114.889 115.700 0.182 0.000 2.548 170 S HA 0.646 5.164 4.470 -0.009 -0.053 0.286 170 S C -2.148 172.466 174.600 0.023 0.000 1.098 170 S CA -2.310 55.887 58.200 -0.005 0.000 0.930 170 S CB 2.296 65.341 63.200 -0.258 0.000 1.070 170 S HN 0.242 8.703 8.310 0.251 0.000 0.480 171 P HA 0.357 4.912 4.420 -0.115 -0.204 0.249 171 P C 0.697 177.998 177.300 0.002 0.000 1.241 171 P CA 0.697 63.763 63.100 -0.056 0.000 0.781 171 P CB 0.470 32.134 31.700 -0.060 0.000 1.088 172 A N 1.943 124.793 122.820 0.050 0.000 1.927 172 A HA -0.308 4.035 4.320 0.037 0.000 0.220 172 A C 1.318 178.939 177.584 0.062 0.000 1.185 172 A CA 2.931 55.004 52.037 0.059 0.000 0.639 172 A CB -1.011 18.044 19.000 0.092 0.000 0.820 172 A HN 0.406 8.530 8.150 0.075 0.071 0.451 173 S N -4.501 111.254 115.700 0.091 0.000 2.603 173 S HA -0.119 4.408 4.470 0.095 0.000 0.220 173 S C 0.381 175.031 174.600 0.084 0.000 0.967 173 S CA -0.191 58.076 58.200 0.111 0.000 0.920 173 S CB 0.170 63.496 63.200 0.211 0.000 0.773 173 S HN -0.478 7.874 8.310 0.099 0.017 0.529 174 E N 4.365 124.587 120.200 0.036 0.000 2.328 174 E HA 0.134 4.501 4.350 0.029 0.000 0.265 174 E C -0.666 175.949 176.600 0.025 0.000 1.057 174 E CA -2.484 53.927 56.400 0.019 0.000 0.916 174 E CB 0.228 29.917 29.700 -0.018 0.000 0.993 174 E HN -0.604 7.722 8.360 0.018 0.045 0.446 175 P HA -0.078 4.360 4.420 0.031 0.000 0.218 175 P C -0.247 177.066 177.300 0.023 0.000 1.149 175 P CA 1.620 64.738 63.100 0.029 0.000 0.817 175 P CB 0.310 32.027 31.700 0.029 0.000 0.785 176 S N -4.446 111.264 115.700 0.017 0.000 2.562 176 S HA -0.097 4.385 4.470 0.020 0.000 0.221 176 S C 0.857 175.467 174.600 0.017 0.000 0.975 176 S CA 0.800 59.010 58.200 0.017 0.000 0.918 176 S CB 0.469 63.675 63.200 0.010 0.000 0.772 176 S HN -0.363 8.221 8.310 0.014 -0.265 0.531 177 V N -3.915 116.009 119.914 0.015 0.000 3.463 177 V HA 0.237 4.369 4.120 0.020 0.000 0.302 177 V C -0.607 175.501 176.094 0.024 0.000 1.097 177 V CA -3.174 59.136 62.300 0.018 0.000 1.003 177 V CB 1.815 33.644 31.823 0.011 0.000 1.229 177 V HN -0.846 7.311 8.190 0.013 0.042 0.444 178 c N 1.645 120.261 118.600 0.028 0.000 2.223 178 c HA 0.187 4.942 4.570 0.030 -0.166 0.324 178 c C -0.549 173.551 174.090 0.016 0.000 1.196 178 c CA -1.338 55.009 56.329 0.030 0.000 1.628 178 c CB -1.544 40.992 42.510 0.044 0.000 2.229 178 c HN 0.161 8.409 8.230 0.028 0.000 0.486 179 T N 11.832 126.386 114.554 0.000 0.000 2.743 179 T HA 0.474 4.982 4.350 -0.011 -0.163 0.293 179 T C -1.057 173.599 174.700 -0.072 0.000 0.945 179 T CA 0.405 62.492 62.100 -0.022 0.000 1.030 179 T CB 0.759 69.617 68.868 -0.017 0.000 0.912 179 T HN 0.707 9.306 8.240 0.003 -0.358 0.483 180 V N 8.090 127.957 119.914 -0.078 0.000 2.378 180 V HA 0.576 4.798 4.120 -0.164 -0.201 0.288 180 V C -0.368 175.606 176.094 -0.200 0.000 1.016 180 V CA -1.793 60.434 62.300 -0.123 0.000 0.840 180 V CB 1.063 32.872 31.823 -0.024 0.000 0.994 180 V HN 0.338 8.498 8.190 -0.049 0.000 0.431 181 G N 6.092 114.589 108.800 -0.504 0.000 2.547 181 G HA2 0.489 4.298 3.960 -0.251 0.000 0.291 181 G HA3 0.489 3.750 3.960 -1.164 0.000 0.291 181 G C -2.794 172.053 174.900 -0.089 0.000 1.211 181 G CA -1.854 42.919 45.100 -0.544 0.000 0.950 181 G HN 0.467 8.315 8.290 -0.737 0.000 0.504 182 A N -1.652 121.306 122.820 0.231 0.000 2.337 182 A HA 1.180 5.882 4.320 0.274 -0.217 0.329 182 A C -0.923 176.867 177.584 0.343 0.000 1.146 182 A CA -2.271 49.948 52.037 0.303 0.000 0.800 182 A CB 2.966 22.149 19.000 0.305 0.000 1.220 182 A HN -0.128 8.166 8.150 0.240 0.000 0.472 183 S N 1.022 116.893 115.700 0.285 0.000 2.677 183 S HA 1.016 5.757 4.470 0.091 -0.217 0.304 183 S C -0.810 173.949 174.600 0.267 0.000 1.108 183 S CA -2.358 55.956 58.200 0.190 0.000 0.944 183 S CB 3.297 66.598 63.200 0.168 0.000 1.127 183 S HN 0.334 8.814 8.310 0.284 0.000 0.511 184 D N -0.139 120.328 120.400 0.111 0.000 2.494 184 D HA 0.464 5.180 4.640 0.128 0.000 0.259 184 D C 1.294 177.269 176.300 -0.540 0.000 1.109 184 D CA -2.231 51.741 54.000 -0.047 0.000 1.040 184 D CB 2.786 43.554 40.800 -0.053 0.000 1.175 184 D HN 0.132 8.520 8.370 0.031 0.000 0.584 185 R N -3.541 116.201 120.500 -1.263 0.000 2.285 185 R HA -0.230 2.760 4.340 -2.251 0.000 0.213 185 R C -0.270 175.426 176.300 -1.007 0.000 1.068 185 R CA 2.209 57.242 56.100 -1.778 0.000 1.004 185 R CB -0.584 28.482 30.300 -2.056 0.000 0.873 185 R HN 0.306 7.945 8.270 -1.051 0.000 0.467 186 Y N -3.554 116.513 120.300 -0.389 0.000 2.571 186 Y HA -0.043 4.389 4.550 -0.196 0.000 0.275 186 Y C -1.094 174.713 175.900 -0.156 0.000 1.179 186 Y CA -0.326 57.642 58.100 -0.220 0.000 1.242 186 Y CB -0.572 37.781 38.460 -0.179 0.000 1.126 186 Y HN -0.617 7.676 8.280 -0.306 -0.196 0.524 187 D N -3.719 116.634 120.400 -0.077 0.000 2.945 187 D HA -0.374 4.247 4.640 -0.031 0.000 0.225 187 D C -1.374 174.892 176.300 -0.056 0.000 1.158 187 D CA 1.883 55.857 54.000 -0.044 0.000 0.805 187 D CB -1.732 39.048 40.800 -0.034 0.000 1.098 187 D HN -0.216 7.902 8.370 -0.158 0.157 0.426 188 R N -2.462 118.008 120.500 -0.049 0.000 2.457 188 R HA 0.386 4.670 4.340 -0.092 0.000 0.284 188 R C 0.173 176.408 176.300 -0.108 0.000 1.024 188 R CA -0.951 55.102 56.100 -0.077 0.000 1.025 188 R CB 1.429 31.695 30.300 -0.057 0.000 1.063 188 R HN -0.413 8.097 8.270 -0.034 -0.260 0.493 189 R N 4.063 124.467 120.500 -0.160 0.000 2.538 189 R HA -0.317 3.922 4.340 -0.169 0.000 0.282 189 R C -0.198 176.021 176.300 -0.134 0.000 1.009 189 R CA 1.159 57.165 56.100 -0.156 0.000 1.063 189 R CB 0.354 30.565 30.300 -0.148 0.000 0.945 189 R HN -0.162 8.004 8.270 -0.172 0.000 0.414 190 S N 6.505 122.099 115.700 -0.177 0.000 2.558 190 S HA -0.047 4.238 4.470 -0.308 0.000 0.288 190 S C 1.968 176.246 174.600 -0.537 0.000 1.318 190 S CA 0.924 58.853 58.200 -0.453 0.000 1.056 190 S CB 0.669 63.349 63.200 -0.866 0.000 0.853 190 S HN 0.112 8.254 8.310 -0.095 0.111 0.505 191 S N 4.217 119.656 115.700 -0.435 0.000 2.383 191 S HA -0.297 4.107 4.470 -0.111 0.000 0.229 191 S C 1.126 175.663 174.600 -0.105 0.000 1.030 191 S CA 2.871 60.969 58.200 -0.170 0.000 1.002 191 S CB 0.060 63.252 63.200 -0.013 0.000 0.829 191 S HN 0.731 8.816 8.310 -0.375 0.000 0.467 192 F N -4.343 115.661 119.950 0.089 0.000 2.743 192 F HA 0.157 4.726 4.527 0.071 0.000 0.297 192 F C -0.506 175.347 175.800 0.088 0.000 1.131 192 F CA -2.063 55.983 58.000 0.076 0.000 1.426 192 F CB -0.870 38.162 39.000 0.053 0.000 1.116 192 F HN -0.488 7.251 8.300 -0.902 0.020 0.583 193 S N 2.709 118.325 115.700 -0.140 0.000 2.533 193 S HA -0.205 4.408 4.470 0.239 0.000 0.282 193 S C 0.032 174.734 174.600 0.170 0.000 1.304 193 S CA -0.194 58.065 58.200 0.100 0.000 1.063 193 S CB 0.654 63.911 63.200 0.096 0.000 0.881 193 S HN -0.450 7.429 8.310 -0.453 0.159 0.493 194 N N 7.167 125.912 118.700 0.075 0.000 2.297 194 N HA -0.024 4.723 4.740 -0.167 -0.107 0.232 194 N C -0.794 174.745 175.510 0.047 0.000 1.311 194 N CA 2.160 55.164 53.050 -0.077 0.000 0.897 194 N CB 1.020 39.398 38.487 -0.181 0.000 1.137 194 N HN -0.127 8.289 8.380 0.061 0.000 0.449 195 Y N -5.864 114.492 120.300 0.092 0.000 2.896 195 Y HA 0.129 4.758 4.550 0.132 0.000 0.317 195 Y C -2.032 173.920 175.900 0.086 0.000 1.444 195 Y CA -1.759 56.415 58.100 0.123 0.000 1.084 195 Y CB 1.544 40.102 38.460 0.164 0.000 1.382 195 Y HN 0.059 7.887 8.280 -0.754 0.000 0.471 196 G N -2.937 106.067 108.800 0.341 0.000 2.381 196 G HA2 -0.218 3.894 3.960 0.253 0.000 0.672 196 G HA3 -0.218 3.804 3.960 0.103 0.000 0.672 196 G C 0.116 175.086 174.900 0.117 0.000 1.324 196 G CA -0.363 44.854 45.100 0.195 0.000 0.975 196 G HN -0.162 8.386 8.290 0.430 0.000 0.593 197 S N -0.494 115.245 115.700 0.066 0.000 2.419 197 S HA -0.305 4.323 4.470 0.041 -0.133 0.235 197 S C 0.864 175.488 174.600 0.041 0.000 1.019 197 S CA 2.146 60.370 58.200 0.040 0.000 0.982 197 S CB -0.058 63.149 63.200 0.012 0.000 0.789 197 S HN 0.478 8.821 8.310 0.056 0.000 0.490 198 V N -0.635 119.302 119.914 0.037 0.000 3.041 198 V HA -0.043 4.096 4.120 0.031 0.000 0.260 198 V C -0.424 175.681 176.094 0.019 0.000 1.105 198 V CA 0.057 62.375 62.300 0.030 0.000 1.125 198 V CB 0.050 31.894 31.823 0.035 0.000 0.730 198 V HN -0.129 8.053 8.190 0.038 0.031 0.479 199 L N -1.319 119.911 121.223 0.013 0.000 2.490 199 L HA -0.265 4.036 4.340 -0.066 0.000 0.274 199 L C 0.298 177.166 176.870 -0.002 0.000 1.201 199 L CA 1.593 56.411 54.840 -0.037 0.000 0.869 199 L CB -0.066 41.939 42.059 -0.090 0.000 1.123 199 L HN -0.698 7.527 8.230 0.029 0.022 0.484 200 D N 1.465 121.853 120.400 -0.019 0.000 2.338 200 D HA 0.083 4.749 4.640 0.043 0.000 0.208 200 D C -0.343 175.982 176.300 0.043 0.000 0.997 200 D CA 2.165 56.179 54.000 0.023 0.000 0.880 200 D CB 2.841 43.658 40.800 0.029 0.000 0.980 200 D HN 0.185 8.527 8.370 -0.047 0.000 0.509 201 I N -5.192 115.369 120.570 -0.015 0.000 2.897 201 I HA 0.092 4.354 4.170 0.154 0.000 0.299 201 I C -2.964 173.091 176.117 -0.102 0.000 1.527 201 I CA -0.454 60.878 61.300 0.053 0.000 0.979 201 I CB 3.760 41.804 38.000 0.073 0.000 1.360 201 I HN -0.877 7.268 8.210 -0.108 0.000 0.495 202 F N 2.665 122.656 119.950 0.068 0.000 2.507 202 F HA 0.719 5.468 4.527 0.066 -0.183 0.327 202 F C -0.689 175.140 175.800 0.048 0.000 1.068 202 F CA -2.181 55.856 58.000 0.062 0.000 0.965 202 F CB 4.081 43.115 39.000 0.057 0.000 1.192 202 F HN 0.199 8.734 8.300 0.392 0.000 0.476 203 G N -0.866 108.043 108.800 0.183 0.000 2.680 203 G HA2 0.564 4.549 3.960 0.041 0.000 0.290 203 G HA3 0.564 4.530 3.960 0.009 0.000 0.290 203 G C -3.463 171.427 174.900 -0.017 0.000 1.355 203 G CA -2.320 42.808 45.100 0.048 0.000 0.903 203 G HN 0.487 8.880 8.290 0.172 0.000 0.474 204 P HA -0.136 4.421 4.420 0.025 -0.122 0.263 204 P C -1.040 176.174 177.300 -0.142 0.000 1.195 204 P CA 0.600 63.473 63.100 -0.379 0.000 0.762 204 P CB 0.029 30.979 31.700 -1.250 0.000 0.799 205 G N 2.298 111.219 108.800 0.202 0.000 3.040 205 G HA2 0.212 4.324 3.960 0.254 0.000 0.214 205 G HA3 0.212 4.382 3.960 0.350 0.000 0.214 205 G C -1.429 173.741 174.900 0.449 0.000 1.093 205 G CA 0.812 46.099 45.100 0.312 0.000 0.931 205 G HN 0.804 9.297 8.290 0.338 0.000 0.632 206 T N 4.312 119.177 114.554 0.518 0.000 2.767 206 T HA 0.291 4.931 4.350 0.482 0.000 0.284 206 T C -1.482 173.523 174.700 0.509 0.000 0.973 206 T CA 1.135 63.522 62.100 0.479 0.000 0.996 206 T CB 0.750 69.826 68.868 0.346 0.000 0.927 206 T HN -0.657 7.935 8.240 0.587 0.000 0.456 207 D N 3.649 124.261 120.400 0.352 0.000 2.848 207 D HA -0.379 4.385 4.640 0.208 0.000 0.245 207 D C -1.817 174.715 176.300 0.386 0.000 1.122 207 D CA 1.633 55.823 54.000 0.316 0.000 0.769 207 D CB -1.702 39.261 40.800 0.272 0.000 1.025 207 D HN 0.519 9.059 8.370 0.284 0.000 0.423 208 I N -0.654 120.070 120.570 0.256 0.000 2.312 208 I HA 0.171 4.388 4.170 0.077 0.000 0.290 208 I C -1.402 174.818 176.117 0.173 0.000 1.008 208 I CA -2.836 58.566 61.300 0.171 0.000 1.226 208 I CB -0.745 37.377 38.000 0.204 0.000 1.371 208 I HN 0.088 8.433 8.210 0.224 0.000 0.468 209 L N 9.448 130.703 121.223 0.054 0.000 2.319 209 L HA 0.064 4.563 4.340 -0.022 -0.172 0.280 209 L C -1.462 175.205 176.870 -0.339 0.000 1.099 209 L CA -0.216 54.584 54.840 -0.067 0.000 0.828 209 L CB 0.410 42.452 42.059 -0.029 0.000 1.150 209 L HN 0.412 8.667 8.230 0.041 0.000 0.442 210 S N 3.716 119.034 115.700 -0.637 0.000 2.727 210 S HA 0.222 4.070 4.470 -1.036 0.000 0.278 210 S C -1.668 172.455 174.600 -0.795 0.000 1.186 210 S CA -2.095 55.527 58.200 -0.964 0.000 0.836 210 S CB 1.221 63.700 63.200 -1.202 0.000 1.186 210 S HN 0.237 8.296 8.310 -0.419 0.000 0.499 211 T N -0.198 114.000 114.554 -0.593 0.000 2.903 211 T HA -0.041 4.241 4.350 -0.341 -0.136 0.314 211 T C -1.001 173.774 174.700 0.125 0.000 1.078 211 T CA 0.679 62.575 62.100 -0.340 0.000 1.114 211 T CB 0.496 69.003 68.868 -0.601 0.000 0.987 211 T HN 0.180 8.090 8.240 -0.550 0.000 0.548 212 W N 1.182 122.481 121.300 -0.002 0.000 3.047 212 W HA 0.308 5.031 4.660 0.105 0.000 0.341 212 W C -1.026 175.593 176.519 0.167 0.000 1.225 212 W CA -1.298 56.105 57.345 0.097 0.000 1.150 212 W CB 4.502 34.007 29.460 0.075 0.000 1.470 212 W HN 0.155 8.450 8.180 0.331 0.084 0.578 213 I N -4.029 116.438 120.570 -0.172 0.000 3.060 213 I HA -0.340 4.078 4.170 0.032 -0.229 0.285 213 I C -0.268 175.919 176.117 0.116 0.000 1.190 213 I CA 1.263 62.532 61.300 -0.053 0.000 1.363 213 I CB -0.030 37.838 38.000 -0.220 0.000 1.396 213 I HN 0.096 7.797 8.210 -0.848 0.000 0.607 214 G N 1.315 110.152 108.800 0.061 0.000 2.198 214 G HA2 -0.332 3.640 3.960 0.020 0.000 0.260 214 G HA3 -0.332 3.673 3.960 0.074 0.000 0.260 214 G C 0.646 175.543 174.900 -0.005 0.000 1.025 214 G CA -0.081 45.046 45.100 0.046 0.000 0.769 214 G HN 0.094 8.727 8.290 0.033 -0.323 0.507 215 G N -1.310 107.432 108.800 -0.096 0.000 2.221 215 G HA2 -0.448 2.889 3.960 -1.038 0.000 0.265 215 G HA3 -0.448 3.280 3.960 -0.387 0.000 0.265 215 G C -0.832 173.946 174.900 -0.203 0.000 1.041 215 G CA 0.103 44.929 45.100 -0.457 0.000 0.807 215 G HN 0.028 8.554 8.290 -0.031 -0.254 0.502 216 S N -1.006 114.787 115.700 0.154 0.000 2.795 216 S HA 0.460 5.007 4.470 0.128 0.000 0.308 216 S C -1.489 173.280 174.600 0.283 0.000 1.098 216 S CA -1.045 57.278 58.200 0.206 0.000 0.934 216 S CB 1.940 65.256 63.200 0.192 0.000 1.300 216 S HN -0.514 7.945 8.310 0.249 0.000 0.566 217 T N -4.564 110.064 114.554 0.123 0.000 2.883 217 T HA 0.717 5.192 4.350 -0.012 -0.132 0.301 217 T C -1.343 173.312 174.700 -0.075 0.000 1.158 217 T CA -1.117 60.966 62.100 -0.028 0.000 1.007 217 T CB 3.188 71.931 68.868 -0.208 0.000 1.186 217 T HN 0.031 8.320 8.240 0.082 0.000 0.499 218 R N -0.888 119.544 120.500 -0.114 0.000 2.728 218 R HA 0.328 4.571 4.340 -0.161 0.000 0.274 218 R C -2.363 173.902 176.300 -0.059 0.000 1.030 218 R CA -0.980 55.011 56.100 -0.182 0.000 0.876 218 R CB 2.585 32.614 30.300 -0.451 0.000 1.259 218 R HN 0.435 8.659 8.270 -0.076 0.000 0.468 219 S N 2.393 118.044 115.700 -0.081 0.000 2.442 219 S HA 0.811 5.502 4.470 0.119 -0.149 0.297 219 S C -0.315 174.228 174.600 -0.097 0.000 1.131 219 S CA -0.683 57.522 58.200 0.008 0.000 1.092 219 S CB 0.744 63.961 63.200 0.029 0.000 0.998 219 S HN 0.246 8.483 8.310 -0.122 0.000 0.478 220 I N 0.188 120.688 120.570 -0.117 0.000 3.264 220 I HA 0.557 4.643 4.170 -0.140 0.000 0.315 220 I C -2.222 173.861 176.117 -0.057 0.000 1.154 220 I CA -1.829 59.360 61.300 -0.185 0.000 0.962 220 I CB 3.821 41.603 38.000 -0.364 0.000 1.265 220 I HN -0.111 8.076 8.210 -0.037 0.000 0.463 221 S N 0.655 116.316 115.700 -0.065 0.000 2.542 221 S HA 0.933 5.656 4.470 0.128 -0.176 0.293 221 S C -0.492 173.992 174.600 -0.194 0.000 1.089 221 S CA -1.465 56.738 58.200 0.005 0.000 0.961 221 S CB 2.814 66.063 63.200 0.081 0.000 1.062 221 S HN 0.077 8.318 8.310 -0.116 0.000 0.483 222 G N 1.409 110.160 108.800 -0.082 0.000 2.339 222 G HA2 0.039 3.489 3.960 -0.849 0.000 0.302 222 G HA3 0.039 3.873 3.960 -0.209 0.000 0.302 222 G C 0.350 175.388 174.900 0.230 0.000 1.425 222 G CA 0.542 45.501 45.100 -0.234 0.000 0.899 222 G HN 0.470 8.883 8.290 0.205 0.000 0.619 223 T N -2.505 112.219 114.554 0.282 0.000 2.977 223 T HA -0.221 4.287 4.350 0.262 0.000 0.271 223 T C 1.546 176.332 174.700 0.143 0.000 1.105 223 T CA 3.483 65.719 62.100 0.227 0.000 1.116 223 T CB -0.116 68.853 68.868 0.169 0.000 0.878 223 T HN 0.275 9.019 8.240 0.251 -0.353 0.509 224 S N 2.092 117.865 115.700 0.121 0.000 2.419 224 S HA -0.151 4.390 4.470 0.118 0.000 0.233 224 S C 1.507 176.152 174.600 0.075 0.000 1.016 224 S CA 3.602 61.869 58.200 0.112 0.000 0.974 224 S CB -0.766 62.547 63.200 0.188 0.000 0.786 224 S HN 0.197 8.552 8.310 0.105 0.018 0.492 225 M N 0.249 119.919 119.600 0.116 0.000 2.394 225 M HA -0.133 4.429 4.480 0.137 0.000 0.266 225 M C 1.498 177.945 176.300 0.245 0.000 1.098 225 M CA 1.785 57.184 55.300 0.164 0.000 1.149 225 M CB -0.624 32.095 32.600 0.198 0.000 1.369 225 M HN -0.368 7.858 8.290 0.130 0.142 0.450 226 A N 0.556 123.505 122.820 0.215 0.000 1.898 226 A HA -0.078 4.548 4.320 0.208 -0.181 0.216 226 A C 1.905 179.594 177.584 0.174 0.000 1.181 226 A CA 2.989 55.143 52.037 0.195 0.000 0.620 226 A CB -0.851 18.234 19.000 0.141 0.000 0.819 226 A HN -0.574 7.694 8.150 0.198 0.000 0.442 227 T N -0.424 114.202 114.554 0.121 0.000 2.635 227 T HA -0.259 4.135 4.350 0.074 0.000 0.267 227 T C -0.746 173.999 174.700 0.075 0.000 1.040 227 T CA 6.263 68.414 62.100 0.085 0.000 1.156 227 T CB -2.144 66.766 68.868 0.071 0.000 0.863 227 T HN -0.447 7.864 8.240 0.118 0.000 0.430 228 P HA 0.088 4.507 4.420 -0.002 0.000 0.223 228 P C 1.837 179.106 177.300 -0.053 0.000 1.151 228 P CA 2.614 65.704 63.100 -0.017 0.000 0.787 228 P CB -0.343 31.316 31.700 -0.070 0.000 0.788 229 H N -0.213 118.829 119.070 -0.046 0.000 2.321 229 H HA -0.255 4.235 4.556 -0.110 0.000 0.300 229 H C 2.474 177.785 175.328 -0.029 0.000 1.087 229 H CA 4.832 60.835 56.048 -0.075 0.000 1.319 229 H CB -0.296 29.408 29.762 -0.097 0.000 1.379 229 H HN -0.758 7.610 8.280 0.147 0.000 0.501 230 V N -1.126 118.870 119.914 0.137 0.000 2.358 230 V HA -0.491 3.697 4.120 0.114 0.000 0.246 230 V C 1.492 177.635 176.094 0.083 0.000 1.047 230 V CA 3.509 65.872 62.300 0.104 0.000 1.035 230 V CB -1.090 30.788 31.823 0.091 0.000 0.658 230 V HN -0.732 7.546 8.190 0.147 0.000 0.452 231 A N -0.121 122.736 122.820 0.062 0.000 1.877 231 A HA -0.233 4.124 4.320 0.062 0.000 0.216 231 A C 2.191 179.801 177.584 0.043 0.000 1.186 231 A CA 3.153 55.221 52.037 0.052 0.000 0.620 231 A CB -0.604 18.421 19.000 0.041 0.000 0.822 231 A HN 0.037 8.221 8.150 0.058 0.000 0.443 232 G N -1.997 106.811 108.800 0.014 0.000 2.422 232 G HA2 -0.286 3.677 3.960 0.005 0.000 0.218 232 G HA3 -0.286 3.650 3.960 -0.040 0.000 0.218 232 G C 0.920 175.857 174.900 0.062 0.000 1.146 232 G CA 1.725 46.827 45.100 0.004 0.000 0.769 232 G HN -0.168 8.119 8.290 -0.005 0.000 0.547 233 L N 2.249 123.516 121.223 0.073 0.000 2.046 233 L HA -0.353 4.061 4.340 0.124 0.000 0.208 233 L C 1.380 178.368 176.870 0.196 0.000 1.077 233 L CA 2.715 57.635 54.840 0.133 0.000 0.747 233 L CB -0.390 41.743 42.059 0.125 0.000 0.896 233 L HN -0.343 7.923 8.230 0.060 0.000 0.432 234 A N -1.530 121.373 122.820 0.138 0.000 1.883 234 A HA -0.480 3.914 4.320 0.124 0.000 0.217 234 A C 1.501 179.141 177.584 0.092 0.000 1.186 234 A CA 3.251 55.356 52.037 0.114 0.000 0.624 234 A CB -1.019 18.034 19.000 0.088 0.000 0.822 234 A HN -0.012 8.208 8.150 0.116 0.000 0.444 235 A N -1.023 121.850 122.820 0.088 0.000 1.883 235 A HA -0.349 3.994 4.320 0.038 0.000 0.217 235 A C 1.400 179.030 177.584 0.077 0.000 1.186 235 A CA 2.821 54.895 52.037 0.061 0.000 0.624 235 A CB -0.712 18.312 19.000 0.041 0.000 0.822 235 A HN -0.445 7.756 8.150 0.086 0.000 0.444 236 Y N -0.173 120.125 120.300 -0.003 0.000 2.128 236 Y HA -0.436 4.109 4.550 -0.007 0.000 0.284 236 Y C 1.775 177.675 175.900 -0.000 0.000 1.154 236 Y CA 3.991 62.093 58.100 0.002 0.000 1.149 236 Y CB 0.062 38.536 38.460 0.023 0.000 0.976 236 Y HN -0.451 7.986 8.280 0.261 0.000 0.505 237 L N -2.635 118.618 121.223 0.050 0.000 2.156 237 L HA -0.483 3.732 4.340 -0.208 0.000 0.208 237 L C 1.880 178.647 176.870 -0.173 0.000 1.095 237 L CA 2.865 57.648 54.840 -0.095 0.000 0.770 237 L CB -0.371 41.699 42.059 0.018 0.000 0.914 237 L HN -0.188 8.171 8.230 0.214 0.000 0.439 238 M N -0.747 118.791 119.600 -0.104 0.000 2.132 238 M HA -0.292 4.282 4.480 -0.121 -0.167 0.263 238 M C 3.366 179.601 176.300 -0.108 0.000 1.065 238 M CA 3.776 59.017 55.300 -0.098 0.000 1.122 238 M CB 0.181 32.754 32.600 -0.045 0.000 1.365 238 M HN -0.003 8.258 8.290 -0.049 0.000 0.411 239 T N 2.282 116.767 114.554 -0.115 0.000 2.759 239 T HA -0.325 3.973 4.350 -0.087 0.000 0.269 239 T C 1.239 175.845 174.700 -0.156 0.000 1.042 239 T CA 4.771 66.798 62.100 -0.121 0.000 1.140 239 T CB -0.084 68.715 68.868 -0.115 0.000 0.864 239 T HN -0.243 7.935 8.240 -0.103 0.000 0.455 240 L N -2.902 118.180 121.223 -0.236 0.000 2.465 240 L HA -0.166 4.064 4.340 -0.183 0.000 0.224 240 L C 0.952 177.736 176.870 -0.144 0.000 1.145 240 L CA 1.097 55.809 54.840 -0.213 0.000 0.834 240 L CB 0.165 42.049 42.059 -0.293 0.000 0.944 240 L HN -0.566 7.406 8.230 -0.295 0.081 0.451 241 G N -2.065 106.651 108.800 -0.140 0.000 2.143 241 G HA2 -0.398 3.499 3.960 -0.106 0.000 0.249 241 G HA3 -0.398 3.508 3.960 -0.090 0.000 0.249 241 G C 0.134 174.949 174.900 -0.142 0.000 0.981 241 G CA 0.537 45.568 45.100 -0.114 0.000 0.665 241 G HN -0.410 7.618 8.290 -0.148 0.173 0.528 242 K N -2.058 118.214 120.400 -0.212 0.000 2.296 242 K HA -0.059 4.148 4.320 -0.188 0.000 0.200 242 K C -0.032 176.269 176.600 -0.499 0.000 1.048 242 K CA 1.074 57.175 56.287 -0.310 0.000 0.966 242 K CB 0.624 32.919 32.500 -0.342 0.000 0.754 242 K HN -0.169 7.912 8.250 -0.224 0.035 0.466 243 T N -3.666 110.639 114.554 -0.415 0.000 2.665 243 T HA 0.200 4.399 4.350 -0.252 0.000 0.303 243 T C -2.286 172.319 174.700 -0.159 0.000 1.334 243 T CA -1.472 60.429 62.100 -0.332 0.000 1.011 243 T CB 0.779 69.338 68.868 -0.514 0.000 1.573 243 T HN -0.687 7.332 8.240 -0.324 0.026 0.492 244 T N -3.101 111.402 114.554 -0.086 0.000 2.864 244 T HA 0.357 4.680 4.350 -0.045 0.000 0.289 244 T C 0.306 174.998 174.700 -0.013 0.000 1.082 244 T CA -2.368 59.707 62.100 -0.041 0.000 1.009 244 T CB 3.647 72.502 68.868 -0.022 0.000 1.234 244 T HN -0.156 8.042 8.240 -0.070 0.000 0.526 245 A N 1.096 123.916 122.820 0.001 0.000 1.940 245 A HA -0.272 4.061 4.320 0.022 0.000 0.219 245 A C 0.940 178.538 177.584 0.022 0.000 1.176 245 A CA 2.747 54.794 52.037 0.017 0.000 0.631 245 A CB -0.523 18.489 19.000 0.020 0.000 0.814 245 A HN 0.479 8.629 8.150 -0.001 0.000 0.446 246 A N -4.992 117.838 122.820 0.018 0.000 2.014 246 A HA -0.184 4.150 4.320 0.022 0.000 0.218 246 A C 0.661 178.266 177.584 0.035 0.000 1.163 246 A CA 1.916 53.967 52.037 0.023 0.000 0.652 246 A CB 0.117 19.127 19.000 0.017 0.000 0.808 246 A HN -0.075 8.071 8.150 0.012 0.011 0.449 247 S N -3.286 112.438 115.700 0.039 0.000 2.559 247 S HA 0.255 4.767 4.470 0.069 0.000 0.226 247 S C 1.097 175.758 174.600 0.101 0.000 1.000 247 S CA 0.016 58.255 58.200 0.066 0.000 0.948 247 S CB 0.959 64.196 63.200 0.062 0.000 0.870 247 S HN -0.717 7.477 8.310 0.028 0.132 0.497 248 A N 2.848 125.715 122.820 0.079 0.000 1.930 248 A HA -0.178 4.215 4.320 0.122 0.000 0.217 248 A C 1.032 178.714 177.584 0.163 0.000 1.175 248 A CA 3.139 55.243 52.037 0.111 0.000 0.627 248 A CB -1.140 17.901 19.000 0.068 0.000 0.815 248 A HN -0.219 7.965 8.150 0.057 0.000 0.443 249 c N -1.982 116.688 118.600 0.118 0.000 2.432 249 c HA -0.326 4.313 4.570 0.115 0.000 0.277 249 c C 1.859 176.021 174.090 0.121 0.000 1.249 249 c CA 2.396 58.791 56.329 0.110 0.000 1.725 249 c CB -2.180 40.376 42.510 0.077 0.000 2.028 249 c HN 0.403 8.690 8.230 0.095 0.000 0.477 250 R N -0.887 119.684 120.500 0.118 0.000 2.081 250 R HA -0.396 3.996 4.340 0.087 0.000 0.235 250 R C 1.613 177.992 176.300 0.131 0.000 1.131 250 R CA 3.535 59.701 56.100 0.109 0.000 0.960 250 R CB -0.304 30.055 30.300 0.098 0.000 0.856 250 R HN -0.175 8.162 8.270 0.111 0.000 0.436 251 Y N 0.617 120.951 120.300 0.057 0.000 2.181 251 Y HA -0.280 4.305 4.550 0.059 0.000 0.288 251 Y C 1.940 177.886 175.900 0.077 0.000 1.146 251 Y CA 3.353 61.490 58.100 0.062 0.000 1.164 251 Y CB 0.094 38.588 38.460 0.056 0.000 0.982 251 Y HN -0.357 8.102 8.280 0.298 0.000 0.515 252 I N -1.041 119.669 120.570 0.233 0.000 2.226 252 I HA -0.585 3.684 4.170 0.165 0.000 0.245 252 I C 1.830 177.994 176.117 0.077 0.000 1.100 252 I CA 3.685 65.082 61.300 0.161 0.000 1.374 252 I CB 0.213 38.328 38.000 0.192 0.000 1.057 252 I HN -0.018 8.369 8.210 0.296 0.000 0.413 253 A N -1.352 121.514 122.820 0.076 0.000 1.902 253 A HA -0.346 4.024 4.320 0.085 0.000 0.217 253 A C 2.675 180.274 177.584 0.025 0.000 1.181 253 A CA 3.047 55.123 52.037 0.065 0.000 0.623 253 A CB -0.755 18.288 19.000 0.071 0.000 0.818 253 A HN -0.215 7.990 8.150 0.091 0.000 0.443 254 D N -2.198 118.185 120.400 -0.029 0.000 2.149 254 D HA -0.204 4.421 4.640 -0.025 0.000 0.198 254 D C 2.259 178.505 176.300 -0.089 0.000 0.990 254 D CA 3.222 57.180 54.000 -0.070 0.000 0.839 254 D CB -0.172 40.545 40.800 -0.138 0.000 0.948 254 D HN 0.130 8.406 8.370 -0.032 0.076 0.460 255 T N -5.298 109.168 114.554 -0.148 0.000 3.105 255 T HA 0.016 4.332 4.350 -0.056 0.000 0.253 255 T C -0.405 174.363 174.700 0.114 0.000 1.047 255 T CA -1.005 61.041 62.100 -0.090 0.000 0.944 255 T CB 0.123 68.820 68.868 -0.285 0.000 1.016 255 T HN -0.493 7.616 8.240 -0.179 0.023 0.544 256 A N 1.470 124.358 122.820 0.113 0.000 2.406 256 A HA -0.209 4.323 4.320 0.252 -0.060 0.243 256 A C -1.046 176.629 177.584 0.151 0.000 1.082 256 A CA 0.038 52.183 52.037 0.179 0.000 0.786 256 A CB 1.296 20.377 19.000 0.134 0.000 1.029 256 A HN -0.895 7.238 8.150 0.066 0.057 0.495 257 N N 0.431 119.187 118.700 0.094 0.000 2.468 257 N HA -0.146 4.551 4.740 -0.072 0.000 0.265 257 N C -0.727 174.789 175.510 0.009 0.000 1.199 257 N CA 1.170 54.198 53.050 -0.037 0.000 0.928 257 N CB 0.769 39.177 38.487 -0.132 0.000 1.059 257 N HN -0.179 8.280 8.380 0.132 0.000 0.467 258 K N 3.286 123.686 120.400 0.000 0.000 2.206 258 K HA 0.330 4.850 4.320 0.028 -0.183 0.264 258 K C 0.458 177.054 176.600 -0.006 0.000 0.967 258 K CA -0.729 55.566 56.287 0.013 0.000 0.844 258 K CB 1.216 33.729 32.500 0.022 0.000 1.099 258 K HN 0.146 8.388 8.250 -0.014 0.000 0.441 259 G N 5.804 114.600 108.800 -0.007 0.000 2.148 259 G HA2 -0.307 3.766 3.960 -0.020 0.000 0.254 259 G HA3 -0.307 3.643 3.960 -0.017 0.000 0.254 259 G C -0.205 174.672 174.900 -0.037 0.000 0.981 259 G CA 1.128 46.216 45.100 -0.021 0.000 0.670 259 G HN 0.590 8.881 8.290 0.001 0.000 0.528 260 D N -0.726 119.648 120.400 -0.044 0.000 2.289 260 D HA -0.065 4.548 4.640 -0.045 0.000 0.207 260 D C 1.144 177.404 176.300 -0.066 0.000 0.966 260 D CA 0.764 54.734 54.000 -0.050 0.000 0.868 260 D CB 0.176 40.948 40.800 -0.047 0.000 0.943 260 D HN 0.030 8.338 8.370 -0.039 0.039 0.514 261 L N 0.118 121.282 121.223 -0.099 0.000 2.357 261 L HA 0.271 4.538 4.340 -0.121 0.000 0.273 261 L C 0.325 177.114 176.870 -0.134 0.000 1.080 261 L CA -0.811 53.941 54.840 -0.147 0.000 0.803 261 L CB 1.503 43.393 42.059 -0.282 0.000 1.174 261 L HN -0.684 nan 8.230 nan 0.000 0.443 262 S N 1.401 117.026 115.700 -0.125 0.000 2.651 262 S HA 0.201 4.614 4.470 -0.095 0.000 0.291 262 S C -0.412 174.113 174.600 -0.126 0.000 1.141 262 S CA -0.868 57.269 58.200 -0.105 0.000 1.027 262 S CB 2.553 65.707 63.200 -0.078 0.000 1.043 262 S HN 0.338 8.575 8.310 -0.121 0.000 0.530 263 N N -0.241 118.397 118.700 -0.103 0.000 2.735 263 N HA -0.283 4.402 4.740 -0.091 0.000 0.248 263 N C -2.141 173.293 175.510 -0.128 0.000 1.083 263 N CA 0.409 53.397 53.050 -0.105 0.000 0.703 263 N CB -0.328 38.102 38.487 -0.095 0.000 1.005 263 N HN 0.500 8.828 8.380 -0.088 0.000 0.550 264 I N -0.492 120.001 120.570 -0.128 0.000 2.312 264 I HA 0.288 4.388 4.170 -0.116 0.000 0.291 264 I C -1.963 174.120 176.117 -0.057 0.000 1.031 264 I CA -4.006 57.227 61.300 -0.111 0.000 1.293 264 I CB -1.101 36.821 38.000 -0.130 0.000 1.403 264 I HN -0.020 8.092 8.210 -0.119 0.027 0.484 265 P HA 0.053 4.437 4.420 -0.060 0.000 0.271 265 P C -0.940 176.401 177.300 0.069 0.000 1.218 265 P CA -1.228 61.824 63.100 -0.081 0.000 0.780 265 P CB 0.510 32.034 31.700 -0.294 0.000 0.901 266 F N 3.365 123.289 119.950 -0.043 0.000 2.623 266 F HA -0.337 4.188 4.527 -0.004 0.000 0.383 266 F C 0.665 176.480 175.800 0.025 0.000 1.077 266 F CA 0.780 58.776 58.000 -0.007 0.000 1.268 266 F CB 0.216 39.210 39.000 -0.009 0.000 1.053 266 F HN -0.029 8.413 8.300 0.235 0.000 0.571 267 G N 7.574 116.208 108.800 -0.276 0.000 2.194 267 G HA2 -0.247 3.486 3.960 -0.378 0.000 0.236 267 G HA3 -0.247 3.420 3.960 -0.489 0.000 0.236 267 G C -1.144 173.731 174.900 -0.042 0.000 0.987 267 G CA -0.184 44.702 45.100 -0.357 0.000 0.635 267 G HN 0.420 8.799 8.290 0.148 0.000 0.520 268 T N 3.276 117.873 114.554 0.072 0.000 2.824 268 T HA 0.405 4.851 4.350 0.161 0.000 0.280 268 T C 0.049 174.862 174.700 0.188 0.000 0.995 268 T CA -0.139 62.062 62.100 0.169 0.000 1.009 268 T CB 2.009 71.030 68.868 0.254 0.000 0.955 268 T HN -0.583 7.643 8.240 0.081 0.063 0.452 269 V N 1.400 121.442 119.914 0.213 0.000 2.788 269 V HA -0.110 4.104 4.120 0.156 0.000 0.307 269 V C -0.608 175.623 176.094 0.229 0.000 1.069 269 V CA 0.110 62.532 62.300 0.204 0.000 1.173 269 V CB 0.484 32.422 31.823 0.191 0.000 0.925 269 V HN 0.024 8.338 8.190 0.206 0.000 0.492 270 N N 6.641 125.417 118.700 0.127 0.000 3.194 270 N HA 0.271 4.995 4.740 -0.027 0.000 0.271 270 N C -2.116 173.435 175.510 0.068 0.000 1.308 270 N CA -0.776 52.298 53.050 0.040 0.000 1.042 270 N CB -0.188 38.297 38.487 -0.002 0.000 1.310 270 N HN 0.329 8.777 8.380 0.112 0.000 0.502 271 L N 1.202 122.518 121.223 0.155 0.000 2.438 271 L HA 0.602 5.198 4.340 0.111 -0.189 0.270 271 L C -2.423 174.579 176.870 0.220 0.000 0.972 271 L CA -1.191 53.747 54.840 0.163 0.000 0.831 271 L CB 3.742 45.902 42.059 0.168 0.000 1.273 271 L HN -0.376 8.005 8.230 0.251 0.000 0.405 272 L N 3.884 125.200 121.223 0.154 0.000 2.325 272 L HA 0.605 5.241 4.340 0.225 -0.161 0.281 272 L C -1.954 175.020 176.870 0.173 0.000 1.004 272 L CA -2.258 52.682 54.840 0.166 0.000 0.823 272 L CB 4.338 46.457 42.059 0.099 0.000 1.236 272 L HN 0.268 8.567 8.230 0.116 0.000 0.415 273 A N 7.108 130.035 122.820 0.177 0.000 2.565 273 A HA -0.077 4.358 4.320 0.192 0.000 0.237 273 A C -2.150 175.588 177.584 0.257 0.000 1.053 273 A CA 1.181 53.330 52.037 0.187 0.000 0.755 273 A CB 0.641 19.727 19.000 0.143 0.000 0.980 273 A HN 0.232 8.486 8.150 0.173 0.000 0.506 274 Y N 3.750 124.114 120.300 0.107 0.000 2.442 274 Y HA 0.377 5.210 4.550 0.120 -0.211 0.330 274 Y C -1.470 174.527 175.900 0.162 0.000 1.100 274 Y CA -1.544 56.629 58.100 0.121 0.000 1.034 274 Y CB 4.022 42.545 38.460 0.104 0.000 1.285 274 Y HN 0.120 8.566 8.280 0.278 0.000 0.440 275 N N 4.676 123.278 118.700 -0.162 0.000 2.467 275 N HA -0.128 4.643 4.740 0.052 0.000 0.184 275 N C -0.050 175.302 175.510 -0.262 0.000 1.106 275 N CA 0.205 53.197 53.050 -0.096 0.000 0.892 275 N CB 0.637 39.121 38.487 -0.006 0.000 0.969 275 N HN 0.312 8.669 8.380 -0.038 0.000 0.454 276 N N -1.492 116.564 118.700 -1.073 0.000 2.710 276 N HA -0.444 3.691 4.740 -1.009 0.000 0.249 276 N C -1.607 173.837 175.510 -0.109 0.000 1.059 276 N CA 0.935 53.563 53.050 -0.702 0.000 0.720 276 N CB -1.339 36.967 38.487 -0.303 0.000 0.983 276 N HN -0.149 6.837 8.380 -2.251 0.043 0.544 277 Y N -0.056 120.178 120.300 -0.110 0.000 2.393 277 Y HA -0.158 4.430 4.550 0.063 0.000 0.338 277 Y C -0.881 175.035 175.900 0.025 0.000 1.029 277 Y CA 0.888 59.011 58.100 0.037 0.000 1.239 277 Y CB 0.506 39.029 38.460 0.106 0.000 1.170 277 Y HN -0.541 8.045 8.280 0.071 -0.264 0.515 278 Q N 6.560 126.017 119.800 -0.572 0.000 2.357 278 Q HA 0.291 4.364 4.340 -0.445 0.000 0.266 278 Q C -0.721 174.807 176.000 -0.787 0.000 1.021 278 Q CA -1.421 54.064 55.803 -0.531 0.000 0.784 278 Q CB 0.537 29.136 28.738 -0.233 0.000 1.243 278 Q HN 0.159 8.157 8.270 -0.454 0.000 0.465 279 A N 0.000 122.349 122.820 -0.785 0.000 2.254 279 A HA 0.000 4.028 4.320 -0.487 0.000 0.244 279 A CA 0.000 51.754 52.037 -0.472 0.000 0.836 279 A CB 0.000 18.841 19.000 -0.265 0.000 0.831 279 A HN 0.000 7.726 8.150 -0.706 0.000 0.486