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 1f16_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDGSGEQPRG GGPTSSEQIM KTGALLLQGF IQDRAGRMGG EAPELALDPV DATA SEQUENCE PQDASTKKLS ECLKRIGDEL DSNMELQRMI AAVDTDSPRE VFFRVAADMF DATA SEQUENCE SDGNFNWGRV VALFYFASKL VLKALCTKVP ELIRTIMGWT LDFLRERLLG DATA SEQUENCE WIQDQGGWDG LLSYFGTPTW QTVTIFVAGV LTASLTIWKK MG 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 M HA 0.000 4.476 4.480 -0.006 0.000 0.227 1 M C 0.000 176.296 176.300 -0.006 0.000 1.140 1 M CA 0.000 55.297 55.300 -0.006 0.000 0.988 1 M CB 0.000 32.597 32.600 -0.005 0.000 1.302 2 D N 1.603 121.998 120.400 -0.007 0.000 3.595 2 D HA -0.014 4.622 4.640 -0.007 0.000 0.253 2 D C -0.521 175.773 176.300 -0.009 0.000 1.395 2 D CA -0.155 53.840 54.000 -0.008 0.000 0.820 2 D CB 0.782 41.577 40.800 -0.007 0.000 1.431 2 D HN 0.423 8.789 8.370 -0.008 0.000 0.690 3 G N 0.419 109.213 108.800 -0.010 0.000 2.298 3 G HA2 -0.069 3.883 3.960 -0.013 0.000 0.263 3 G HA3 -0.069 3.884 3.960 -0.012 0.000 0.263 3 G C -0.038 174.855 174.900 -0.012 0.000 1.229 3 G CA -0.009 45.084 45.100 -0.012 0.000 0.976 3 G HN -0.145 8.139 8.290 -0.009 0.000 0.459 4 S N 3.593 119.284 115.700 -0.014 0.000 2.368 4 S HA -0.129 4.333 4.470 -0.012 0.000 0.225 4 S C 1.609 176.200 174.600 -0.015 0.000 1.030 4 S CA 1.123 59.315 58.200 -0.014 0.000 0.999 4 S CB 0.430 63.620 63.200 -0.016 0.000 0.844 4 S HN 0.227 8.528 8.310 -0.015 0.000 0.459 5 G N -0.217 108.573 108.800 -0.017 0.000 2.711 5 G HA2 0.016 3.966 3.960 -0.017 0.000 0.186 5 G HA3 0.016 3.964 3.960 -0.020 0.000 0.186 5 G C -0.748 174.144 174.900 -0.014 0.000 1.635 5 G CA 0.240 45.329 45.100 -0.017 0.000 1.065 5 G HN 0.065 8.344 8.290 -0.019 0.000 0.545 6 E N -3.980 116.212 120.200 -0.013 0.000 2.876 6 E HA -0.073 4.272 4.350 -0.009 0.000 0.286 6 E C -1.073 175.521 176.600 -0.009 0.000 1.128 6 E CA 0.008 56.402 56.400 -0.010 0.000 2.071 6 E CB 0.277 29.972 29.700 -0.008 0.000 2.256 6 E HN -0.309 8.042 8.360 -0.015 0.000 1.056 7 Q N 0.275 120.069 119.800 -0.009 0.000 3.557 7 Q HA 0.399 4.734 4.340 -0.008 0.000 0.264 7 Q C -2.345 173.649 176.000 -0.009 0.000 0.850 7 Q CA -1.808 53.990 55.803 -0.008 0.000 0.833 7 Q CB 0.674 29.410 28.738 -0.004 0.000 1.505 7 Q HN 0.179 8.443 8.270 -0.010 0.000 0.402 8 P HA -0.119 4.291 4.420 -0.016 0.000 0.236 8 P C -1.070 176.222 177.300 -0.014 0.000 1.172 8 P CA 0.522 63.612 63.100 -0.018 0.000 0.759 8 P CB -0.084 31.600 31.700 -0.027 0.000 0.843 9 R N -5.688 114.807 120.500 -0.008 0.000 2.684 9 R HA 0.198 4.538 4.340 -0.001 0.000 0.252 9 R C -0.809 175.492 176.300 0.002 0.000 1.628 9 R CA -0.435 55.664 56.100 -0.003 0.000 1.622 9 R CB -0.303 29.994 30.300 -0.004 0.000 1.418 9 R HN -0.582 7.566 8.270 -0.008 0.117 0.697 10 G N 1.217 110.019 108.800 0.003 0.000 2.881 10 G HA2 0.134 4.098 3.960 0.005 0.000 0.198 10 G HA3 0.134 4.096 3.960 0.003 0.000 0.198 10 G C -0.673 174.233 174.900 0.008 0.000 1.081 10 G CA 0.105 45.208 45.100 0.005 0.000 0.787 10 G HN 0.133 8.424 8.290 0.002 0.000 0.622 11 G N -0.630 108.176 108.800 0.009 0.000 2.455 11 G HA2 0.042 4.011 3.960 0.015 0.000 0.298 11 G HA3 0.042 4.009 3.960 0.012 0.000 0.298 11 G C -1.692 173.216 174.900 0.013 0.000 1.349 11 G CA 0.561 45.668 45.100 0.012 0.000 1.220 11 G HN -0.270 8.025 8.290 0.007 0.000 0.598 12 G N 1.639 110.449 108.800 0.017 0.000 2.336 12 G HA2 -0.115 3.857 3.960 0.019 0.000 0.300 12 G HA3 -0.115 3.854 3.960 0.015 0.000 0.300 12 G C -3.059 171.856 174.900 0.025 0.000 1.375 12 G CA -0.091 45.020 45.100 0.019 0.000 0.885 12 G HN -0.264 8.038 8.290 0.020 0.000 0.599 13 P HA -0.035 4.569 4.420 0.045 -0.157 0.272 13 P C -0.205 177.114 177.300 0.032 0.000 1.248 13 P CA -0.520 62.602 63.100 0.037 0.000 0.799 13 P CB 0.802 32.524 31.700 0.037 0.000 0.997 14 T N -7.267 107.312 114.554 0.041 0.000 3.970 14 T HA -0.520 3.851 4.350 0.034 0.000 0.361 14 T C -1.445 173.270 174.700 0.024 0.000 0.758 14 T CA 0.404 62.521 62.100 0.027 0.000 1.940 14 T CB -0.619 68.252 68.868 0.006 0.000 1.821 14 T HN -0.263 8.164 8.240 0.056 -0.154 0.818 15 S N -0.730 114.995 115.700 0.042 0.000 2.472 15 S HA 0.158 4.643 4.470 0.025 0.000 0.303 15 S C 1.554 176.188 174.600 0.056 0.000 1.099 15 S CA -1.852 56.371 58.200 0.039 0.000 1.077 15 S CB 3.032 66.255 63.200 0.039 0.000 1.031 15 S HN -0.608 7.893 8.310 0.056 -0.157 0.487 16 S N 4.121 119.849 115.700 0.048 0.000 2.559 16 S HA -0.310 4.206 4.470 0.076 0.000 0.250 16 S C 0.911 175.560 174.600 0.083 0.000 0.977 16 S CA 2.353 60.593 58.200 0.066 0.000 0.958 16 S CB -0.756 62.474 63.200 0.051 0.000 0.751 16 S HN 0.646 8.976 8.310 0.033 0.000 0.534 17 E N 2.138 122.383 120.200 0.075 0.000 2.057 17 E HA -0.102 4.292 4.350 0.073 0.000 0.190 17 E C 1.474 178.132 176.600 0.097 0.000 0.969 17 E CA 2.566 59.011 56.400 0.075 0.000 0.812 17 E CB 0.082 29.815 29.700 0.055 0.000 0.777 17 E HN -0.697 7.569 8.360 0.064 0.133 0.455 18 Q N -0.787 119.076 119.800 0.106 0.000 2.124 18 Q HA -0.250 4.154 4.340 0.106 0.000 0.202 18 Q C 2.747 178.876 176.000 0.215 0.000 0.977 18 Q CA 2.963 58.846 55.803 0.133 0.000 0.850 18 Q CB -0.229 28.586 28.738 0.129 0.000 0.901 18 Q HN -0.668 7.657 8.270 0.092 0.000 0.429 19 I N 0.436 121.157 120.570 0.252 0.000 2.072 19 I HA -0.549 4.065 4.170 0.739 0.000 0.235 19 I C 1.796 178.157 176.117 0.407 0.000 1.058 19 I CA 3.588 65.150 61.300 0.436 0.000 1.320 19 I CB -0.191 37.962 38.000 0.256 0.000 1.047 19 I HN -0.557 7.754 8.210 0.183 0.009 0.397 20 M N -0.807 118.946 119.600 0.255 0.000 2.103 20 M HA -0.532 4.082 4.480 0.223 0.000 0.255 20 M C 1.754 178.137 176.300 0.139 0.000 1.074 20 M CA 3.482 58.900 55.300 0.196 0.000 1.090 20 M CB -0.481 32.198 32.600 0.132 0.000 1.325 20 M HN -0.651 7.761 8.290 0.204 0.000 0.403 21 K N -1.833 118.633 120.400 0.110 0.000 1.985 21 K HA -0.378 3.963 4.320 0.035 0.000 0.210 21 K C 2.510 179.110 176.600 -0.001 0.000 1.047 21 K CA 3.598 59.915 56.287 0.050 0.000 0.932 21 K CB -0.186 32.343 32.500 0.048 0.000 0.716 21 K HN -0.379 7.942 8.250 0.125 0.004 0.439 22 T N 1.113 115.663 114.554 -0.007 0.000 2.759 22 T HA -0.371 3.877 4.350 -0.169 0.000 0.269 22 T C 2.094 176.580 174.700 -0.357 0.000 1.042 22 T CA 4.676 66.659 62.100 -0.194 0.000 1.140 22 T CB -0.349 68.357 68.868 -0.270 0.000 0.864 22 T HN -0.185 8.103 8.240 0.080 0.000 0.455 23 G N 0.512 109.195 108.800 -0.195 0.000 2.421 23 G HA2 -0.308 3.300 3.960 -0.587 0.000 0.216 23 G HA3 -0.308 3.740 3.960 0.147 0.000 0.216 23 G C 0.255 175.058 174.900 -0.162 0.000 1.171 23 G CA 1.891 46.878 45.100 -0.189 0.000 0.775 23 G HN 0.279 8.588 8.290 0.052 0.012 0.543 24 A N 0.966 123.748 122.820 -0.064 0.000 2.066 24 A HA -0.202 4.088 4.320 -0.049 0.000 0.218 24 A C 1.742 179.270 177.584 -0.095 0.000 1.157 24 A CA 2.167 54.170 52.037 -0.056 0.000 0.670 24 A CB -0.228 18.765 19.000 -0.013 0.000 0.804 24 A HN -0.157 7.985 8.150 -0.013 0.000 0.453 25 L N -1.053 120.096 121.223 -0.123 0.000 2.084 25 L HA -0.270 4.018 4.340 -0.086 0.000 0.202 25 L C 1.855 178.634 176.870 -0.152 0.000 1.074 25 L CA 3.536 58.306 54.840 -0.117 0.000 0.757 25 L CB 0.077 42.073 42.059 -0.107 0.000 0.918 25 L HN -0.390 7.612 8.230 -0.137 0.146 0.444 26 L N -1.331 119.746 121.223 -0.244 0.000 1.971 26 L HA -0.510 3.714 4.340 -0.193 0.000 0.215 26 L C 2.424 179.170 176.870 -0.207 0.000 1.072 26 L CA 3.553 58.231 54.840 -0.270 0.000 0.758 26 L CB -0.544 41.225 42.059 -0.482 0.000 0.889 26 L HN 0.326 8.266 8.230 -0.301 0.109 0.433 27 L N -2.871 118.191 121.223 -0.269 0.000 1.994 27 L HA -0.434 3.830 4.340 -0.126 0.000 0.208 27 L C 1.594 178.435 176.870 -0.049 0.000 1.071 27 L CA 3.225 57.968 54.840 -0.162 0.000 0.745 27 L CB -0.398 41.548 42.059 -0.188 0.000 0.892 27 L HN -0.675 7.351 8.230 -0.341 0.000 0.431 28 Q N -1.367 118.390 119.800 -0.073 0.000 2.297 28 Q HA -0.385 3.922 4.340 -0.055 0.000 0.208 28 Q C 2.405 178.376 176.000 -0.049 0.000 0.981 28 Q CA 2.834 58.603 55.803 -0.058 0.000 0.876 28 Q CB -0.373 28.327 28.738 -0.063 0.000 0.921 28 Q HN -0.554 7.657 8.270 -0.098 0.000 0.446 29 G N -0.489 108.288 108.800 -0.037 0.000 2.456 29 G HA2 -0.254 3.684 3.960 -0.037 0.000 0.213 29 G HA3 -0.254 3.697 3.960 -0.016 0.000 0.213 29 G C 0.272 175.186 174.900 0.024 0.000 1.215 29 G CA 1.351 46.441 45.100 -0.018 0.000 0.805 29 G HN 0.038 8.121 8.290 -0.055 0.173 0.537 30 F N 2.943 122.855 119.950 -0.062 0.000 2.346 30 F HA -0.247 4.266 4.527 -0.023 0.000 0.301 30 F C 1.478 177.264 175.800 -0.023 0.000 1.070 30 F CA 2.123 60.106 58.000 -0.027 0.000 1.407 30 F CB 0.083 39.087 39.000 0.007 0.000 1.072 30 F HN -0.477 7.931 8.300 0.180 0.000 0.543 31 I N -0.863 119.592 120.570 -0.191 0.000 2.368 31 I HA -0.501 3.399 4.170 -0.451 0.000 0.238 31 I C 1.223 177.196 176.117 -0.241 0.000 1.076 31 I CA 3.482 64.615 61.300 -0.278 0.000 1.397 31 I CB -0.014 37.906 38.000 -0.132 0.000 1.141 31 I HN -0.686 7.443 8.210 -0.043 0.056 0.430 32 Q N -0.099 119.610 119.800 -0.151 0.000 2.133 32 Q HA -0.447 3.823 4.340 -0.116 0.000 0.208 32 Q C 2.631 178.550 176.000 -0.136 0.000 0.991 32 Q CA 3.304 59.034 55.803 -0.122 0.000 0.867 32 Q CB -0.715 27.973 28.738 -0.085 0.000 0.911 32 Q HN -0.627 7.573 8.270 -0.118 0.000 0.417 33 D N -2.789 117.521 120.400 -0.150 0.000 2.144 33 D HA -0.206 4.376 4.640 -0.096 0.000 0.200 33 D C 1.339 177.524 176.300 -0.192 0.000 0.978 33 D CA 2.719 56.638 54.000 -0.136 0.000 0.833 33 D CB -0.374 40.370 40.800 -0.094 0.000 0.961 33 D HN -0.381 7.893 8.370 -0.146 0.009 0.470 34 R N -2.813 117.489 120.500 -0.331 0.000 2.276 34 R HA -0.075 4.113 4.340 -0.254 0.000 0.203 34 R C 1.270 177.438 176.300 -0.220 0.000 1.017 34 R CA 0.640 56.534 56.100 -0.342 0.000 1.010 34 R CB -0.365 29.560 30.300 -0.625 0.000 0.900 34 R HN -0.649 7.274 8.270 -0.419 0.095 0.469 35 A N -2.856 119.852 122.820 -0.186 0.000 1.975 35 A HA 0.048 4.290 4.320 -0.130 0.000 0.215 35 A C -0.290 177.234 177.584 -0.099 0.000 1.170 35 A CA 1.261 53.219 52.037 -0.132 0.000 0.656 35 A CB 1.093 20.021 19.000 -0.120 0.000 0.821 35 A HN -0.123 7.727 8.150 -0.197 0.181 0.449 36 G N -2.454 106.289 108.800 -0.095 0.000 2.470 36 G HA2 -0.121 3.800 3.960 -0.066 0.000 0.145 36 G HA3 -0.121 3.802 3.960 -0.062 0.000 0.145 36 G C -1.283 173.580 174.900 -0.062 0.000 1.223 36 G CA -0.264 44.794 45.100 -0.070 0.000 1.058 36 G HN -0.678 7.546 8.290 -0.110 0.000 0.469 37 R N 0.657 121.127 120.500 -0.050 0.000 2.013 37 R HA 0.215 4.529 4.340 -0.042 0.000 0.201 37 R C -0.666 175.607 176.300 -0.045 0.000 1.312 37 R CA 1.320 57.395 56.100 -0.043 0.000 1.076 37 R CB 0.748 31.027 30.300 -0.035 0.000 0.817 37 R HN 0.190 8.432 8.270 -0.047 0.000 0.494 38 M N -6.172 113.404 119.600 -0.040 0.000 3.084 38 M HA 0.279 4.732 4.480 -0.045 0.000 0.273 38 M C -1.156 175.123 176.300 -0.036 0.000 1.242 38 M CA -0.983 54.294 55.300 -0.039 0.000 0.819 38 M CB 1.949 34.528 32.600 -0.035 0.000 1.625 38 M HN -0.583 7.684 8.290 -0.037 0.000 0.493 39 G N -0.180 108.600 108.800 -0.034 0.000 2.413 39 G HA2 0.155 4.098 3.960 -0.028 0.000 0.285 39 G HA3 0.155 4.095 3.960 -0.033 0.000 0.285 39 G C -1.270 173.613 174.900 -0.029 0.000 1.337 39 G CA 0.626 45.707 45.100 -0.031 0.000 1.324 39 G HN 0.200 8.468 8.290 -0.035 0.000 0.611 40 G N 1.849 110.634 108.800 -0.025 0.000 2.771 40 G HA2 -0.278 3.668 3.960 -0.023 0.000 0.242 40 G HA3 -0.278 3.670 3.960 -0.021 0.000 0.242 40 G C 0.373 175.259 174.900 -0.023 0.000 1.233 40 G CA 0.132 45.218 45.100 -0.023 0.000 0.858 40 G HN 0.218 8.494 8.290 -0.024 0.000 0.591 41 E N 0.109 120.296 120.200 -0.022 0.000 5.150 41 E HA -0.519 3.819 4.350 -0.020 0.000 0.167 41 E C -0.736 175.849 176.600 -0.026 0.000 1.196 41 E CA 1.904 58.291 56.400 -0.022 0.000 2.189 41 E CB -0.274 29.413 29.700 -0.021 0.000 1.820 41 E HN 0.470 8.817 8.360 -0.021 0.000 0.420 42 A N -1.418 121.385 122.820 -0.029 0.000 1.999 42 A HA -0.232 4.066 4.320 -0.036 0.000 0.261 42 A C -1.985 175.579 177.584 -0.033 0.000 1.316 42 A CA 0.022 52.039 52.037 -0.033 0.000 0.752 42 A CB -1.093 17.886 19.000 -0.035 0.000 1.166 42 A HN 0.250 8.242 8.150 -0.028 0.141 0.311 43 P HA -0.187 4.215 4.420 -0.029 0.000 0.222 43 P C 0.687 177.965 177.300 -0.037 0.000 1.147 43 P CA 0.978 64.059 63.100 -0.032 0.000 0.790 43 P CB 0.134 31.816 31.700 -0.030 0.000 0.780 44 E N 0.010 120.184 120.200 -0.042 0.000 2.086 44 E HA -0.165 4.155 4.350 -0.051 0.000 0.223 44 E C 0.049 176.619 176.600 -0.051 0.000 0.881 44 E CA 0.454 56.824 56.400 -0.050 0.000 1.137 44 E CB 0.170 29.836 29.700 -0.057 0.000 0.985 44 E HN -0.089 8.200 8.360 -0.042 0.046 0.559 45 L N 0.268 121.459 121.223 -0.054 0.000 2.450 45 L HA -0.173 4.135 4.340 -0.053 0.000 0.256 45 L C -0.478 176.367 176.870 -0.042 0.000 1.374 45 L CA -0.085 54.724 54.840 -0.051 0.000 1.210 45 L CB -1.975 40.051 42.059 -0.055 0.000 1.394 45 L HN 0.057 8.253 8.230 -0.057 0.000 0.438 46 A N 2.377 125.175 122.820 -0.038 0.000 1.822 46 A HA -0.088 4.302 4.320 -0.031 -0.089 0.214 46 A C 0.554 178.121 177.584 -0.028 0.000 1.245 46 A CA 1.641 53.659 52.037 -0.031 0.000 0.608 46 A CB 0.407 19.390 19.000 -0.028 0.000 0.896 46 A HN 0.253 8.343 8.150 -0.040 0.036 0.457 47 L N -0.331 120.877 121.223 -0.026 0.000 2.505 47 L HA -0.074 4.254 4.340 -0.020 0.000 0.275 47 L C -0.861 175.995 176.870 -0.024 0.000 1.264 47 L CA 0.052 54.879 54.840 -0.022 0.000 1.148 47 L CB -2.492 39.556 42.059 -0.018 0.000 1.377 47 L HN -0.026 8.188 8.230 -0.026 0.000 0.442 48 D N 5.861 126.245 120.400 -0.026 0.000 2.837 48 D HA 0.259 4.884 4.640 -0.026 0.000 0.220 48 D C -2.143 174.141 176.300 -0.028 0.000 1.236 48 D CA -2.077 51.906 54.000 -0.029 0.000 0.838 48 D CB 0.846 41.624 40.800 -0.037 0.000 1.647 48 D HN -0.150 8.180 8.370 -0.025 0.025 0.486 49 P HA 0.065 4.472 4.420 -0.022 0.000 0.281 49 P C -1.851 175.430 177.300 -0.032 0.000 1.274 49 P CA -0.005 63.079 63.100 -0.026 0.000 0.794 49 P CB 0.566 32.250 31.700 -0.027 0.000 1.201 50 V N -6.486 113.410 119.914 -0.031 0.000 3.120 50 V HA 0.367 4.464 4.120 -0.038 0.000 0.303 50 V C -2.382 173.692 176.094 -0.033 0.000 1.238 50 V CA -3.767 58.513 62.300 -0.033 0.000 1.008 50 V CB 0.832 32.638 31.823 -0.029 0.000 1.064 50 V HN -0.514 7.659 8.190 -0.028 0.000 0.434 51 P HA 0.081 4.479 4.420 -0.037 0.000 0.256 51 P C -1.796 175.489 177.300 -0.026 0.000 1.173 51 P CA 0.908 63.988 63.100 -0.032 0.000 0.768 51 P CB 0.191 31.873 31.700 -0.030 0.000 0.758 52 Q N 3.675 123.460 119.800 -0.025 0.000 2.842 52 Q HA 0.053 4.383 4.340 -0.016 0.000 0.215 52 Q C -2.194 173.797 176.000 -0.015 0.000 0.764 52 Q CA 0.092 55.884 55.803 -0.018 0.000 0.994 52 Q CB 1.658 30.386 28.738 -0.016 0.000 1.554 52 Q HN -0.049 8.204 8.270 -0.029 0.000 0.475 53 D N 3.514 123.906 120.400 -0.012 0.000 2.242 53 D HA 0.010 4.649 4.640 -0.003 0.000 0.153 53 D C -0.014 176.284 176.300 -0.004 0.000 0.952 53 D CA 0.296 54.292 54.000 -0.007 0.000 1.009 53 D CB 1.569 42.362 40.800 -0.011 0.000 4.090 53 D HN -0.217 8.145 8.370 -0.012 0.000 0.505 54 A N 3.060 125.881 122.820 0.003 0.000 2.024 54 A HA -0.253 4.068 4.320 0.002 0.000 0.220 54 A C 1.226 178.816 177.584 0.011 0.000 1.164 54 A CA 2.718 54.759 52.037 0.006 0.000 0.643 54 A CB 0.019 19.025 19.000 0.011 0.000 0.806 54 A HN 0.243 8.396 8.150 0.005 0.000 0.451 55 S N -2.912 112.797 115.700 0.015 0.000 2.356 55 S HA -0.080 4.411 4.470 0.035 0.000 0.219 55 S C 1.430 176.035 174.600 0.009 0.000 1.036 55 S CA 2.959 61.175 58.200 0.026 0.000 0.965 55 S CB -1.016 62.207 63.200 0.038 0.000 0.864 55 S HN -0.069 8.219 8.310 0.013 0.030 0.471 56 T N 3.676 118.222 114.554 -0.013 0.000 2.962 56 T HA -0.235 4.079 4.350 -0.060 0.000 0.270 56 T C 1.798 176.477 174.700 -0.034 0.000 1.088 56 T CA 3.700 65.773 62.100 -0.045 0.000 1.127 56 T CB -0.582 68.247 68.868 -0.066 0.000 0.883 56 T HN -0.155 8.079 8.240 -0.010 0.000 0.493 57 K N 1.148 121.536 120.400 -0.019 0.000 2.103 57 K HA -0.317 3.992 4.320 -0.019 0.000 0.204 57 K C 1.688 178.279 176.600 -0.014 0.000 1.052 57 K CA 3.098 59.376 56.287 -0.016 0.000 0.945 57 K CB -0.286 32.208 32.500 -0.011 0.000 0.722 57 K HN 0.427 8.536 8.250 -0.013 0.133 0.443 58 K N -0.184 120.212 120.400 -0.007 0.000 2.062 58 K HA -0.175 4.135 4.320 -0.017 0.000 0.205 58 K C 2.285 178.875 176.600 -0.017 0.000 1.051 58 K CA 2.187 58.469 56.287 -0.008 0.000 0.941 58 K CB -0.663 31.845 32.500 0.013 0.000 0.719 58 K HN -0.796 7.454 8.250 -0.000 0.000 0.440 59 L N -1.974 119.247 121.223 -0.004 0.000 2.265 59 L HA -0.224 4.115 4.340 -0.001 0.000 0.215 59 L C 1.660 178.506 176.870 -0.040 0.000 1.117 59 L CA 2.394 57.231 54.840 -0.006 0.000 0.782 59 L CB -0.472 41.594 42.059 0.013 0.000 0.914 59 L HN -0.357 7.875 8.230 0.004 0.000 0.441 60 S N -1.176 114.504 115.700 -0.032 0.000 2.387 60 S HA -0.303 4.168 4.470 0.001 0.000 0.226 60 S C 1.397 175.983 174.600 -0.024 0.000 1.026 60 S CA 3.138 61.333 58.200 -0.009 0.000 0.972 60 S CB -0.455 62.752 63.200 0.011 0.000 0.814 60 S HN -0.397 7.734 8.310 -0.027 0.162 0.477 61 E N 1.837 122.007 120.200 -0.050 0.000 2.160 61 E HA -0.285 4.027 4.350 -0.062 0.000 0.195 61 E C 2.329 178.835 176.600 -0.157 0.000 0.991 61 E CA 3.023 59.373 56.400 -0.084 0.000 0.810 61 E CB -0.354 29.294 29.700 -0.086 0.000 0.742 61 E HN -0.400 7.824 8.360 -0.043 0.111 0.466 62 C N -1.425 117.756 119.300 -0.198 0.000 2.476 62 C HA -0.172 4.046 4.460 -0.403 0.000 0.278 62 C C 2.061 176.858 174.990 -0.322 0.000 1.274 62 C CA 4.362 63.162 59.018 -0.364 0.000 1.713 62 C CB -0.791 26.637 27.740 -0.520 0.000 2.039 62 C HN -0.521 7.497 8.230 -0.149 0.123 0.484 63 L N 0.179 121.265 121.223 -0.229 0.000 2.217 63 L HA -0.259 3.910 4.340 -0.284 0.000 0.211 63 L C 1.399 178.088 176.870 -0.301 0.000 1.107 63 L CA 2.512 57.180 54.840 -0.286 0.000 0.783 63 L CB -0.264 41.639 42.059 -0.259 0.000 0.919 63 L HN -0.542 7.586 8.230 -0.171 0.000 0.442 64 K N -0.371 119.984 120.400 -0.074 0.000 2.044 64 K HA -0.364 4.180 4.320 0.375 0.000 0.204 64 K C 1.894 178.503 176.600 0.015 0.000 1.049 64 K CA 3.630 59.986 56.287 0.115 0.000 0.945 64 K CB -0.075 32.492 32.500 0.111 0.000 0.724 64 K HN 0.531 8.519 8.250 -0.076 0.216 0.440 65 R N -1.148 119.296 120.500 -0.093 0.000 2.127 65 R HA -0.266 4.010 4.340 -0.106 0.000 0.238 65 R C 2.638 178.869 176.300 -0.115 0.000 1.134 65 R CA 3.213 59.230 56.100 -0.138 0.000 0.975 65 R CB 0.045 30.189 30.300 -0.261 0.000 0.865 65 R HN -0.203 7.882 8.270 -0.126 0.110 0.447 66 I N -6.607 113.886 120.570 -0.127 0.000 3.035 66 I HA 0.193 4.315 4.170 -0.079 0.000 0.271 66 I C 1.380 177.438 176.117 -0.100 0.000 1.190 66 I CA 2.134 63.370 61.300 -0.105 0.000 1.472 66 I CB -0.231 37.707 38.000 -0.104 0.000 1.116 66 I HN -0.687 7.406 8.210 -0.163 0.019 0.443 67 G N 0.595 109.360 108.800 -0.060 0.000 2.448 67 G HA2 -0.422 3.589 3.960 0.084 0.000 0.219 67 G HA3 -0.422 3.767 3.960 0.381 0.000 0.219 67 G C 0.884 175.908 174.900 0.207 0.000 1.127 67 G CA 2.321 47.516 45.100 0.157 0.000 0.766 67 G HN -0.061 8.083 8.290 -0.097 0.087 0.552 68 D N 0.780 121.251 120.400 0.119 0.000 2.149 68 D HA -0.104 4.608 4.640 0.120 0.000 0.206 68 D C 1.265 177.587 176.300 0.035 0.000 0.967 68 D CA 2.492 56.543 54.000 0.085 0.000 0.848 68 D CB 0.296 41.126 40.800 0.050 0.000 0.998 68 D HN -0.609 7.782 8.370 0.078 0.026 0.474 69 E N 0.002 120.200 120.200 -0.003 0.000 2.017 69 E HA -0.230 4.118 4.350 -0.002 0.000 0.193 69 E C 2.916 179.501 176.600 -0.025 0.000 0.997 69 E CA 2.493 58.886 56.400 -0.013 0.000 0.804 69 E CB -0.101 29.587 29.700 -0.021 0.000 0.757 69 E HN -0.840 7.510 8.360 -0.015 0.000 0.448 70 L N -1.790 119.385 121.223 -0.080 0.000 2.012 70 L HA -0.178 4.323 4.340 -0.097 -0.219 0.210 70 L C 2.562 179.386 176.870 -0.076 0.000 1.073 70 L CA 3.213 57.964 54.840 -0.148 0.000 0.748 70 L CB -0.958 40.867 42.059 -0.391 0.000 0.891 70 L HN 0.121 8.294 8.230 -0.096 0.000 0.431 71 D N -3.328 117.073 120.400 0.002 0.000 2.384 71 D HA -0.216 4.572 4.640 0.245 0.000 0.222 71 D C 0.823 177.182 176.300 0.097 0.000 0.976 71 D CA 1.767 55.863 54.000 0.161 0.000 0.915 71 D CB -0.086 40.870 40.800 0.260 0.000 0.896 71 D HN -0.564 7.798 8.370 -0.013 0.000 0.523 72 S N -3.123 112.608 115.700 0.052 0.000 2.572 72 S HA 0.016 4.514 4.470 0.048 0.000 0.228 72 S C -0.823 173.797 174.600 0.032 0.000 0.963 72 S CA -0.296 57.928 58.200 0.041 0.000 0.939 72 S CB 0.427 63.645 63.200 0.029 0.000 0.804 72 S HN -0.463 7.663 8.310 0.031 0.202 0.480 73 N N 3.885 122.604 118.700 0.033 0.000 2.420 73 N HA -0.019 4.734 4.740 0.022 0.000 0.262 73 N C 0.388 175.920 175.510 0.037 0.000 1.144 73 N CA 0.587 53.654 53.050 0.028 0.000 0.952 73 N CB 0.451 38.950 38.487 0.020 0.000 1.081 73 N HN -0.217 8.004 8.380 0.037 0.182 0.480 74 M N 3.479 123.098 119.600 0.031 0.000 2.419 74 M HA -0.170 4.332 4.480 0.036 0.000 0.264 74 M C 1.759 178.078 176.300 0.032 0.000 1.082 74 M CA 1.776 57.095 55.300 0.031 0.000 1.119 74 M CB -1.064 31.551 32.600 0.025 0.000 1.398 74 M HN 0.686 8.991 8.290 0.025 0.000 0.453 75 E N 1.124 121.342 120.200 0.029 0.000 2.051 75 E HA -0.275 4.093 4.350 0.029 0.000 0.189 75 E C 1.698 178.321 176.600 0.038 0.000 0.979 75 E CA 2.810 59.228 56.400 0.029 0.000 0.803 75 E CB 0.145 29.859 29.700 0.023 0.000 0.761 75 E HN -0.094 8.250 8.360 0.027 0.032 0.451 76 L N -2.533 118.715 121.223 0.042 0.000 2.201 76 L HA -0.224 4.150 4.340 0.056 0.000 0.212 76 L C 1.553 178.468 176.870 0.075 0.000 1.105 76 L CA 2.529 57.404 54.840 0.059 0.000 0.775 76 L CB -1.095 40.998 42.059 0.057 0.000 0.913 76 L HN -0.069 8.182 8.230 0.036 0.000 0.440 77 Q N -1.495 118.346 119.800 0.068 0.000 2.311 77 Q HA -0.261 4.129 4.340 0.083 0.000 0.203 77 Q C 2.352 178.382 176.000 0.051 0.000 0.954 77 Q CA 2.957 58.801 55.803 0.068 0.000 0.885 77 Q CB -0.193 28.581 28.738 0.061 0.000 0.963 77 Q HN -0.240 7.947 8.270 0.057 0.118 0.471 78 R N -2.038 118.489 120.500 0.045 0.000 2.236 78 R HA -0.177 4.185 4.340 0.037 0.000 0.208 78 R C 1.478 177.804 176.300 0.043 0.000 1.036 78 R CA 2.171 58.294 56.100 0.040 0.000 1.001 78 R CB -0.501 29.820 30.300 0.035 0.000 0.896 78 R HN -0.794 7.349 8.270 0.045 0.154 0.464 79 M N -0.830 118.798 119.600 0.048 0.000 2.171 79 M HA -0.161 4.350 4.480 0.051 0.000 0.260 79 M C 2.156 178.479 176.300 0.037 0.000 1.087 79 M CA 2.483 57.812 55.300 0.048 0.000 1.154 79 M CB 0.267 32.898 32.600 0.052 0.000 1.331 79 M HN -0.604 7.549 8.290 0.051 0.168 0.431 80 I N -0.904 119.693 120.570 0.045 0.000 2.399 80 I HA -0.497 3.677 4.170 0.007 0.000 0.254 80 I C 1.891 178.010 176.117 0.003 0.000 1.146 80 I CA 3.604 64.918 61.300 0.024 0.000 1.412 80 I CB -0.633 37.396 38.000 0.048 0.000 1.076 80 I HN -0.350 7.898 8.210 0.063 0.000 0.432 81 A N -0.840 121.992 122.820 0.021 0.000 2.119 81 A HA -0.117 4.210 4.320 0.012 0.000 0.217 81 A C 0.619 178.222 177.584 0.031 0.000 1.153 81 A CA 2.078 54.127 52.037 0.021 0.000 0.692 81 A CB -0.689 18.327 19.000 0.027 0.000 0.799 81 A HN -0.407 7.737 8.150 0.032 0.026 0.458 82 A N -2.689 120.154 122.820 0.038 0.000 2.123 82 A HA 0.088 4.453 4.320 0.074 0.000 0.214 82 A C 0.684 178.320 177.584 0.087 0.000 1.152 82 A CA 1.392 53.471 52.037 0.070 0.000 0.728 82 A CB 0.333 19.384 19.000 0.085 0.000 0.814 82 A HN 0.054 8.018 8.150 0.033 0.206 0.464 83 V N -2.254 117.655 119.914 -0.007 0.000 5.547 83 V HA -0.016 4.075 4.120 -0.050 0.000 0.179 83 V C -0.107 175.976 176.094 -0.018 0.000 1.408 83 V CA 0.132 62.345 62.300 -0.145 0.000 1.009 83 V CB 0.471 32.025 31.823 -0.449 0.000 1.329 83 V HN -0.697 7.323 8.190 -0.028 0.154 0.358 84 D N -3.498 116.861 120.400 -0.068 0.000 3.215 84 D HA 0.049 4.701 4.640 0.020 0.000 0.298 84 D C -1.332 174.987 176.300 0.031 0.000 1.080 84 D CA -0.077 53.940 54.000 0.029 0.000 0.714 84 D CB 0.374 41.243 40.800 0.115 0.000 1.393 84 D HN -0.187 8.072 8.370 -0.185 0.000 0.480 85 T N -1.265 113.321 114.554 0.053 0.000 3.356 85 T HA 0.082 4.471 4.350 0.066 0.000 0.220 85 T C 0.850 175.615 174.700 0.108 0.000 0.963 85 T CA 1.051 63.193 62.100 0.069 0.000 1.540 85 T CB 0.657 69.556 68.868 0.052 0.000 1.320 85 T HN -0.039 8.232 8.240 0.052 0.000 0.448 86 D N 0.303 120.760 120.400 0.095 0.000 4.429 86 D HA -0.251 4.439 4.640 0.082 0.000 0.235 86 D C -0.559 175.804 176.300 0.105 0.000 1.091 86 D CA 2.488 56.548 54.000 0.100 0.000 2.197 86 D CB -0.574 40.298 40.800 0.120 0.000 1.181 86 D HN 0.213 8.629 8.370 0.077 0.000 0.415 87 S N -0.983 114.794 115.700 0.128 0.000 2.158 87 S HA 0.458 4.988 4.470 0.100 0.000 0.160 87 S C -1.567 173.117 174.600 0.139 0.000 1.693 87 S CA -1.803 56.468 58.200 0.118 0.000 1.251 87 S CB 0.958 64.224 63.200 0.109 0.000 1.153 87 S HN 0.223 8.576 8.310 0.153 0.049 0.439 88 P HA -0.133 4.413 4.420 0.211 0.000 0.225 88 P C 1.136 178.520 177.300 0.140 0.000 1.148 88 P CA 1.609 64.826 63.100 0.193 0.000 0.779 88 P CB 0.146 31.988 31.700 0.237 0.000 0.780 89 R N -1.688 118.792 120.500 -0.034 0.000 2.062 89 R HA -0.209 3.768 4.340 -0.606 0.000 0.226 89 R C 2.007 178.305 176.300 -0.003 0.000 1.125 89 R CA 4.156 60.079 56.100 -0.295 0.000 0.966 89 R CB -0.824 29.228 30.300 -0.414 0.000 0.861 89 R HN 0.081 8.302 8.270 0.011 0.055 0.433 90 E N -0.352 119.885 120.200 0.063 0.000 2.047 90 E HA -0.233 4.191 4.350 0.124 0.000 0.191 90 E C 2.559 179.302 176.600 0.239 0.000 0.987 90 E CA 2.879 59.363 56.400 0.140 0.000 0.799 90 E CB -0.592 29.180 29.700 0.119 0.000 0.752 90 E HN -0.538 7.850 8.360 0.046 0.000 0.449 91 V N -0.479 119.595 119.914 0.266 0.000 2.343 91 V HA -0.395 3.946 4.120 0.369 0.000 0.247 91 V C 2.025 178.272 176.094 0.256 0.000 1.051 91 V CA 3.890 66.374 62.300 0.306 0.000 1.036 91 V CB -0.811 31.183 31.823 0.286 0.000 0.654 91 V HN -0.296 8.035 8.190 0.236 0.000 0.451 92 F N 1.936 121.996 119.950 0.184 0.000 2.126 92 F HA -0.436 4.287 4.527 0.327 0.000 0.299 92 F C 1.615 177.484 175.800 0.114 0.000 1.096 92 F CA 3.938 62.065 58.000 0.213 0.000 1.255 92 F CB 0.154 39.281 39.000 0.212 0.000 0.997 92 F HN -0.405 8.036 8.300 0.420 0.111 0.479 93 F N -0.761 119.226 119.950 0.063 0.000 2.270 93 F HA -0.223 4.205 4.527 -0.165 0.000 0.295 93 F C 1.467 177.231 175.800 -0.060 0.000 1.087 93 F CA 3.249 61.229 58.000 -0.033 0.000 1.365 93 F CB 0.732 39.780 39.000 0.080 0.000 1.056 93 F HN -0.374 8.200 8.300 0.456 0.000 0.506 94 R N 0.164 120.753 120.500 0.149 0.000 2.061 94 R HA -0.264 4.125 4.340 0.082 0.000 0.230 94 R C 2.362 178.626 176.300 -0.061 0.000 1.140 94 R CA 2.871 59.023 56.100 0.086 0.000 0.940 94 R CB -0.674 29.743 30.300 0.195 0.000 0.839 94 R HN 0.434 8.746 8.270 0.255 0.111 0.429 95 V N -1.038 118.829 119.914 -0.079 0.000 2.332 95 V HA -0.507 3.549 4.120 -0.106 0.000 0.248 95 V C 1.462 177.330 176.094 -0.377 0.000 1.055 95 V CA 3.706 65.871 62.300 -0.226 0.000 1.038 95 V CB -0.254 31.320 31.823 -0.415 0.000 0.651 95 V HN 0.314 8.389 8.190 -0.002 0.113 0.450 96 A N -0.871 121.632 122.820 -0.530 0.000 1.841 96 A HA -0.386 3.596 4.320 -0.564 0.000 0.216 96 A C 1.874 179.273 177.584 -0.309 0.000 1.199 96 A CA 2.909 54.590 52.037 -0.594 0.000 0.621 96 A CB -1.059 17.331 19.000 -1.018 0.000 0.835 96 A HN -0.627 7.193 8.150 -0.550 0.000 0.445 97 A N -1.700 120.869 122.820 -0.418 0.000 1.971 97 A HA -0.400 3.816 4.320 -0.173 0.000 0.222 97 A C 2.470 180.007 177.584 -0.077 0.000 1.182 97 A CA 2.903 54.787 52.037 -0.254 0.000 0.649 97 A CB -0.849 17.924 19.000 -0.378 0.000 0.818 97 A HN -0.116 7.657 8.150 -0.627 0.000 0.458 98 D N -1.681 118.648 120.400 -0.119 0.000 2.144 98 D HA -0.225 4.375 4.640 -0.067 0.000 0.199 98 D C 2.563 178.782 176.300 -0.135 0.000 0.984 98 D CA 2.770 56.712 54.000 -0.097 0.000 0.834 98 D CB 0.110 40.853 40.800 -0.094 0.000 0.955 98 D HN -0.443 7.712 8.370 -0.172 0.113 0.465 99 M N -2.776 116.709 119.600 -0.190 0.000 2.296 99 M HA -0.225 4.032 4.480 -0.373 0.000 0.265 99 M C 0.159 176.080 176.300 -0.631 0.000 1.064 99 M CA 3.076 58.116 55.300 -0.433 0.000 1.109 99 M CB 0.754 32.995 32.600 -0.598 0.000 1.396 99 M HN -0.019 8.042 8.290 -0.170 0.127 0.430 100 F N -7.614 112.217 119.950 -0.198 0.000 2.683 100 F HA 0.229 4.642 4.527 -0.191 0.000 0.306 100 F C 0.096 175.814 175.800 -0.137 0.000 1.102 100 F CA -1.276 56.621 58.000 -0.172 0.000 1.244 100 F CB 0.336 39.248 39.000 -0.145 0.000 1.029 100 F HN -0.814 7.482 8.300 0.227 0.140 0.545 101 S N 0.494 116.201 115.700 0.012 0.000 2.660 101 S HA -0.146 4.334 4.470 0.016 0.000 0.228 101 S C -0.776 173.812 174.600 -0.020 0.000 0.966 101 S CA 1.370 59.567 58.200 -0.004 0.000 0.940 101 S CB -0.175 63.011 63.200 -0.024 0.000 0.773 101 S HN -0.381 7.709 8.310 -0.036 0.198 0.535 102 D N -3.482 116.895 120.400 -0.039 0.000 2.643 102 D HA 0.060 4.689 4.640 -0.019 0.000 0.283 102 D C -0.700 175.571 176.300 -0.047 0.000 1.242 102 D CA -1.021 52.956 54.000 -0.038 0.000 0.863 102 D CB 1.078 41.848 40.800 -0.050 0.000 1.382 102 D HN -0.887 7.354 8.370 -0.056 0.095 0.444 103 G N -0.640 108.141 108.800 -0.032 0.000 2.594 103 G HA2 -0.337 3.618 3.960 -0.009 0.000 0.297 103 G HA3 -0.337 3.587 3.960 -0.061 0.000 0.297 103 G C -0.745 174.150 174.900 -0.008 0.000 1.273 103 G CA 1.454 46.536 45.100 -0.030 0.000 0.974 103 G HN 0.407 8.684 8.290 -0.021 0.000 0.552 104 N N -2.726 115.964 118.700 -0.017 0.000 2.297 104 N HA -0.107 4.633 4.740 0.000 0.000 0.311 104 N C -1.853 173.655 175.510 -0.003 0.000 0.755 104 N CA -0.114 52.953 53.050 0.029 0.000 0.725 104 N CB 1.314 39.895 38.487 0.157 0.000 2.195 104 N HN -0.120 8.227 8.380 -0.056 0.000 1.138 105 F N 1.086 120.923 119.950 -0.188 0.000 2.557 105 F HA 0.262 4.575 4.527 -0.357 0.000 0.316 105 F C -2.080 173.414 175.800 -0.510 0.000 1.141 105 F CA -0.116 57.690 58.000 -0.324 0.000 0.922 105 F CB 1.759 40.640 39.000 -0.198 0.000 1.194 105 F HN -0.417 7.917 8.300 0.056 0.000 0.443 106 N N 4.054 121.882 118.700 -1.453 0.000 3.643 106 N HA 0.126 4.079 4.740 -1.312 0.000 0.336 106 N C -1.451 172.854 175.510 -2.009 0.000 1.559 106 N CA -1.108 51.095 53.050 -1.412 0.000 0.644 106 N CB 1.887 39.932 38.487 -0.736 0.000 2.909 106 N HN 0.033 7.443 8.380 -1.616 0.000 0.592 107 W N -2.870 117.955 121.300 -0.791 0.000 2.926 107 W HA 0.232 4.448 4.660 -0.740 0.000 0.221 107 W C 0.798 176.975 176.519 -0.569 0.000 1.030 107 W CA 0.071 56.948 57.345 -0.780 0.000 1.330 107 W CB 1.314 30.134 29.460 -1.065 0.000 0.787 107 W HN -0.243 7.493 8.180 -0.740 0.000 0.736 108 G N 0.347 108.947 108.800 -0.333 0.000 2.404 108 G HA2 -0.281 3.617 3.960 -0.103 0.000 0.215 108 G HA3 -0.281 3.629 3.960 -0.084 0.000 0.215 108 G C 0.704 175.435 174.900 -0.281 0.000 1.174 108 G CA 1.739 46.726 45.100 -0.187 0.000 0.780 108 G HN 0.162 8.211 8.290 -0.400 0.000 0.537 109 R N 1.004 121.230 120.500 -0.456 0.000 2.136 109 R HA -0.484 3.494 4.340 -0.603 0.000 0.242 109 R C 2.169 178.238 176.300 -0.384 0.000 1.131 109 R CA 2.675 58.413 56.100 -0.603 0.000 0.937 109 R CB -1.590 28.037 30.300 -1.121 0.000 0.863 109 R HN 0.036 8.000 8.270 -0.510 0.000 0.435 110 V N -1.071 118.622 119.914 -0.368 0.000 2.214 110 V HA -0.426 3.486 4.120 -0.346 0.000 0.245 110 V C 2.459 178.117 176.094 -0.727 0.000 1.047 110 V CA 3.386 65.420 62.300 -0.444 0.000 0.998 110 V CB -0.519 31.148 31.823 -0.259 0.000 0.633 110 V HN -0.492 7.439 8.190 -0.432 0.000 0.446 111 V N 0.603 120.270 119.914 -0.411 0.000 2.250 111 V HA -0.563 3.402 4.120 -0.258 0.000 0.250 111 V C 1.549 177.555 176.094 -0.147 0.000 1.060 111 V CA 4.166 66.328 62.300 -0.230 0.000 1.030 111 V CB -0.997 30.846 31.823 0.034 0.000 0.643 111 V HN -0.719 7.328 8.190 -0.238 0.000 0.445 112 A N -2.772 119.980 122.820 -0.114 0.000 2.125 112 A HA -0.206 4.171 4.320 0.094 0.000 0.219 112 A C 2.150 179.759 177.584 0.042 0.000 1.156 112 A CA 2.671 54.704 52.037 -0.007 0.000 0.671 112 A CB -0.696 18.256 19.000 -0.080 0.000 0.794 112 A HN 0.303 8.259 8.150 -0.153 0.102 0.459 113 L N -0.780 120.397 121.223 -0.077 0.000 2.130 113 L HA -0.140 4.272 4.340 0.119 0.000 0.200 113 L C 1.143 178.215 176.870 0.337 0.000 1.075 113 L CA 2.768 57.653 54.840 0.074 0.000 0.768 113 L CB 0.114 42.166 42.059 -0.013 0.000 0.933 113 L HN -0.003 7.861 8.230 -0.264 0.208 0.451 114 F N -1.367 118.724 119.950 0.235 0.000 2.126 114 F HA -0.406 4.257 4.527 0.228 0.000 0.299 114 F C 2.283 178.225 175.800 0.237 0.000 1.096 114 F CA 2.224 60.357 58.000 0.220 0.000 1.255 114 F CB -1.586 37.509 39.000 0.159 0.000 0.997 114 F HN -0.418 7.662 8.300 -0.368 0.000 0.479 115 Y N -0.761 119.711 120.300 0.287 0.000 2.263 115 Y HA -0.385 4.327 4.550 0.269 0.000 0.292 115 Y C 1.598 177.646 175.900 0.246 0.000 1.130 115 Y CA 3.041 61.275 58.100 0.224 0.000 1.179 115 Y CB 0.106 38.639 38.460 0.120 0.000 0.998 115 Y HN -0.262 8.276 8.280 0.430 0.000 0.532 116 F N 1.800 121.845 119.950 0.157 0.000 2.134 116 F HA -0.500 4.032 4.527 0.008 0.000 0.299 116 F C 0.675 176.503 175.800 0.046 0.000 1.097 116 F CA 3.293 61.327 58.000 0.057 0.000 1.264 116 F CB -0.070 38.976 39.000 0.076 0.000 1.001 116 F HN -0.713 7.815 8.300 0.503 0.074 0.479 117 A N -2.499 120.407 122.820 0.144 0.000 1.968 117 A HA -0.310 3.985 4.320 -0.043 0.000 0.217 117 A C 1.652 179.206 177.584 -0.049 0.000 1.169 117 A CA 2.985 55.067 52.037 0.076 0.000 0.638 117 A CB -0.777 18.413 19.000 0.316 0.000 0.812 117 A HN 0.199 8.580 8.150 0.385 0.000 0.446 118 S N -0.602 115.094 115.700 -0.007 0.000 2.387 118 S HA -0.397 4.084 4.470 0.019 0.000 0.230 118 S C 2.139 176.632 174.600 -0.179 0.000 1.035 118 S CA 3.852 62.036 58.200 -0.027 0.000 1.014 118 S CB -0.805 62.482 63.200 0.144 0.000 0.836 118 S HN -0.044 8.223 8.310 0.078 0.090 0.466 119 K N 2.325 122.535 120.400 -0.316 0.000 2.001 119 K HA -0.181 3.994 4.320 -0.241 0.000 0.208 119 K C 2.230 178.683 176.600 -0.246 0.000 1.048 119 K CA 2.320 58.425 56.287 -0.302 0.000 0.932 119 K CB -0.364 31.910 32.500 -0.376 0.000 0.715 119 K HN -0.902 7.095 8.250 -0.404 0.011 0.437 120 L N -0.785 120.261 121.223 -0.294 0.000 2.051 120 L HA -0.451 3.784 4.340 -0.175 0.000 0.214 120 L C 2.365 179.149 176.870 -0.143 0.000 1.076 120 L CA 3.111 57.834 54.840 -0.196 0.000 0.758 120 L CB -0.177 41.789 42.059 -0.155 0.000 0.890 120 L HN -0.739 7.245 8.230 -0.410 0.000 0.433 121 V N -0.994 118.836 119.914 -0.140 0.000 2.229 121 V HA -0.652 3.385 4.120 -0.140 0.000 0.243 121 V C 1.928 177.947 176.094 -0.125 0.000 1.042 121 V CA 4.371 66.594 62.300 -0.130 0.000 1.000 121 V CB -0.056 31.701 31.823 -0.110 0.000 0.637 121 V HN 0.137 8.236 8.190 -0.143 0.005 0.446 122 L N -1.188 119.956 121.223 -0.132 0.000 2.013 122 L HA -0.465 3.804 4.340 -0.118 0.000 0.212 122 L C 1.743 178.549 176.870 -0.106 0.000 1.073 122 L CA 3.796 58.562 54.840 -0.124 0.000 0.753 122 L CB -0.372 41.605 42.059 -0.136 0.000 0.890 122 L HN 0.212 8.252 8.230 -0.140 0.106 0.432 123 K N -2.044 118.289 120.400 -0.111 0.000 2.113 123 K HA -0.451 3.823 4.320 -0.076 0.000 0.208 123 K C 1.799 178.354 176.600 -0.074 0.000 1.047 123 K CA 3.425 59.659 56.287 -0.088 0.000 0.928 123 K CB -0.146 32.297 32.500 -0.096 0.000 0.716 123 K HN 0.678 8.720 8.250 -0.133 0.128 0.446 124 A N -1.613 121.157 122.820 -0.084 0.000 2.014 124 A HA -0.036 4.249 4.320 -0.059 0.000 0.218 124 A C 1.589 179.130 177.584 -0.072 0.000 1.163 124 A CA 2.313 54.305 52.037 -0.075 0.000 0.652 124 A CB -0.537 18.406 19.000 -0.094 0.000 0.808 124 A HN -0.390 7.585 8.150 -0.099 0.116 0.449 125 L N -1.239 119.936 121.223 -0.080 0.000 2.046 125 L HA -0.312 3.985 4.340 -0.073 0.000 0.208 125 L C 2.368 179.202 176.870 -0.059 0.000 1.077 125 L CA 2.756 57.552 54.840 -0.073 0.000 0.747 125 L CB -0.243 41.767 42.059 -0.082 0.000 0.896 125 L HN -0.380 7.649 8.230 -0.089 0.147 0.432 126 C N -1.652 117.614 119.300 -0.056 0.000 2.453 126 C HA -0.353 4.081 4.460 -0.043 0.000 0.277 126 C C 1.648 176.616 174.990 -0.037 0.000 1.262 126 C CA 3.592 62.583 59.018 -0.044 0.000 1.718 126 C CB 0.508 28.223 27.740 -0.042 0.000 2.031 126 C HN -0.375 7.817 8.230 -0.063 0.000 0.480 127 T N 0.679 115.211 114.554 -0.037 0.000 2.969 127 T HA -0.360 3.976 4.350 -0.023 0.000 0.271 127 T C -0.340 174.344 174.700 -0.028 0.000 1.127 127 T CA 2.487 64.570 62.100 -0.028 0.000 1.102 127 T CB -0.187 68.665 68.868 -0.027 0.000 0.855 127 T HN -0.454 7.761 8.240 -0.043 0.000 0.536 128 K N -5.012 115.367 120.400 -0.034 0.000 3.218 128 K HA -0.355 3.944 4.320 -0.036 0.000 0.276 128 K C -1.237 175.343 176.600 -0.034 0.000 1.173 128 K CA 1.112 57.379 56.287 -0.033 0.000 0.812 128 K CB -2.457 30.028 32.500 -0.025 0.000 1.275 128 K HN -0.578 7.457 8.250 -0.040 0.190 0.504 129 V N -1.679 118.210 119.914 -0.041 0.000 2.384 129 V HA 0.494 4.591 4.120 -0.037 0.000 0.257 129 V C -1.529 174.528 176.094 -0.060 0.000 0.969 129 V CA -3.019 59.255 62.300 -0.043 0.000 0.910 129 V CB -0.274 31.527 31.823 -0.037 0.000 1.150 129 V HN -0.683 7.479 8.190 -0.047 0.000 0.481 130 P HA -0.151 4.221 4.420 -0.080 0.000 0.220 130 P C 0.900 178.151 177.300 -0.083 0.000 1.148 130 P CA 2.164 65.221 63.100 -0.071 0.000 0.803 130 P CB 0.181 31.845 31.700 -0.060 0.000 0.782 131 E N -3.034 117.122 120.200 -0.073 0.000 2.338 131 E HA -0.240 4.060 4.350 -0.083 0.000 0.197 131 E C 1.692 178.222 176.600 -0.117 0.000 1.007 131 E CA 2.248 58.599 56.400 -0.081 0.000 0.849 131 E CB -0.913 28.752 29.700 -0.058 0.000 0.774 131 E HN 0.295 8.593 8.360 -0.060 0.027 0.506 132 L N -0.272 120.877 121.223 -0.123 0.000 2.270 132 L HA -0.120 4.087 4.340 -0.221 0.000 0.210 132 L C 0.942 177.670 176.870 -0.236 0.000 1.104 132 L CA 2.756 57.489 54.840 -0.179 0.000 0.804 132 L CB 0.098 42.083 42.059 -0.123 0.000 0.937 132 L HN -0.194 7.805 8.230 -0.098 0.172 0.450 133 I N -0.361 120.103 120.570 -0.177 0.000 2.151 133 I HA -0.674 3.385 4.170 -0.185 0.000 0.243 133 I C 1.736 177.723 176.117 -0.216 0.000 1.080 133 I CA 4.410 65.603 61.300 -0.180 0.000 1.339 133 I CB -0.354 37.567 38.000 -0.131 0.000 1.039 133 I HN -0.955 7.054 8.210 -0.139 0.117 0.409 134 R N -2.765 117.618 120.500 -0.195 0.000 2.092 134 R HA -0.312 3.925 4.340 -0.172 0.000 0.231 134 R C 2.758 178.878 176.300 -0.299 0.000 1.119 134 R CA 3.475 59.457 56.100 -0.196 0.000 0.970 134 R CB -0.247 29.969 30.300 -0.141 0.000 0.864 134 R HN -0.639 7.532 8.270 -0.164 0.000 0.440 135 T N 2.803 117.128 114.554 -0.382 0.000 2.833 135 T HA -0.344 3.721 4.350 -0.476 0.000 0.269 135 T C 1.778 175.782 174.700 -1.159 0.000 1.054 135 T CA 4.230 65.955 62.100 -0.625 0.000 1.135 135 T CB -0.229 68.311 68.868 -0.546 0.000 0.869 135 T HN -0.702 7.269 8.240 -0.311 0.083 0.466 136 I N 2.139 122.159 120.570 -0.918 0.000 2.130 136 I HA -0.550 2.848 4.170 -1.286 0.000 0.234 136 I C 1.713 177.535 176.117 -0.490 0.000 1.067 136 I CA 4.109 64.903 61.300 -0.844 0.000 1.339 136 I CB -0.008 37.724 38.000 -0.447 0.000 1.073 136 I HN 0.049 7.770 8.210 -0.625 0.114 0.405 137 M N -2.032 117.394 119.600 -0.289 0.000 2.252 137 M HA -0.406 4.032 4.480 -0.070 0.000 0.255 137 M C 2.690 178.922 176.300 -0.113 0.000 1.085 137 M CA 3.533 58.749 55.300 -0.140 0.000 1.059 137 M CB -1.446 31.085 32.600 -0.115 0.000 1.375 137 M HN -0.479 7.645 8.290 -0.277 0.000 0.409 138 G N -1.695 106.966 108.800 -0.232 0.000 2.404 138 G HA2 -0.258 3.678 3.960 -0.039 0.000 0.215 138 G HA3 -0.258 3.569 3.960 -0.221 0.000 0.215 138 G C 0.841 175.768 174.900 0.045 0.000 1.174 138 G CA 1.849 46.870 45.100 -0.131 0.000 0.780 138 G HN -0.222 7.688 8.290 -0.376 0.154 0.537 139 W N 1.516 122.770 121.300 -0.076 0.000 2.465 139 W HA -0.036 4.645 4.660 0.036 0.000 0.268 139 W C 1.976 178.534 176.519 0.066 0.000 1.242 139 W CA -0.277 57.009 57.345 -0.098 0.000 1.248 139 W CB -0.763 28.395 29.460 -0.503 0.000 1.118 139 W HN 0.335 8.095 8.180 -0.538 0.097 0.587 140 T N 0.815 115.517 114.554 0.247 0.000 2.668 140 T HA -0.337 4.351 4.350 0.564 0.000 0.258 140 T C 1.843 176.763 174.700 0.366 0.000 1.051 140 T CA 4.036 66.357 62.100 0.367 0.000 1.155 140 T CB -0.469 68.544 68.868 0.243 0.000 0.864 140 T HN -0.308 7.849 8.240 0.093 0.139 0.413 141 L N 0.494 121.861 121.223 0.241 0.000 2.187 141 L HA -0.432 4.054 4.340 0.244 0.000 0.213 141 L C 1.988 179.005 176.870 0.245 0.000 1.100 141 L CA 3.318 58.290 54.840 0.220 0.000 0.765 141 L CB -0.804 41.337 42.059 0.137 0.000 0.904 141 L HN -0.409 7.921 8.230 0.168 0.000 0.437 142 D N 0.013 120.579 120.400 0.277 0.000 2.097 142 D HA -0.292 4.466 4.640 0.197 0.000 0.195 142 D C 2.175 178.648 176.300 0.288 0.000 0.989 142 D CA 3.848 58.009 54.000 0.268 0.000 0.827 142 D CB -0.527 40.465 40.800 0.319 0.000 0.966 142 D HN -0.340 8.170 8.370 0.286 0.032 0.456 143 F N 0.739 120.844 119.950 0.259 0.000 2.186 143 F HA -0.211 4.401 4.527 0.142 0.000 0.299 143 F C 1.469 177.348 175.800 0.131 0.000 1.090 143 F CA 3.195 61.308 58.000 0.187 0.000 1.307 143 F CB 0.573 39.716 39.000 0.238 0.000 1.019 143 F HN -0.785 7.875 8.300 0.599 0.000 0.489 144 L N -0.729 120.746 121.223 0.419 0.000 2.007 144 L HA -0.382 4.175 4.340 0.362 0.000 0.205 144 L C 0.818 177.805 176.870 0.196 0.000 1.073 144 L CA 2.945 57.990 54.840 0.341 0.000 0.744 144 L CB -0.197 42.100 42.059 0.396 0.000 0.898 144 L HN -0.015 8.418 8.230 0.467 0.077 0.435 145 R N -2.781 117.827 120.500 0.179 0.000 2.105 145 R HA -0.314 4.107 4.340 0.135 0.000 0.239 145 R C 1.119 177.460 176.300 0.070 0.000 1.135 145 R CA 2.637 58.813 56.100 0.126 0.000 0.967 145 R CB 0.222 30.593 30.300 0.119 0.000 0.861 145 R HN 0.061 8.333 8.270 0.209 0.123 0.442 146 E N -4.435 115.777 120.200 0.020 0.000 2.086 146 E HA -0.068 4.282 4.350 0.001 0.000 0.190 146 E C 1.672 178.201 176.600 -0.119 0.000 0.975 146 E CA 2.059 58.432 56.400 -0.046 0.000 0.813 146 E CB 0.405 30.061 29.700 -0.073 0.000 0.768 146 E HN -0.393 7.984 8.360 0.042 0.009 0.457 147 R N -3.220 117.106 120.500 -0.291 0.000 2.140 147 R HA 0.199 4.412 4.340 -0.213 0.000 0.200 147 R C 1.445 177.664 176.300 -0.134 0.000 1.069 147 R CA 1.453 57.332 56.100 -0.369 0.000 1.088 147 R CB 2.010 31.736 30.300 -0.957 0.000 1.012 147 R HN -0.190 7.757 8.270 -0.355 0.110 0.500 148 L N -0.571 120.617 121.223 -0.059 0.000 2.777 148 L HA -0.046 4.364 4.340 0.117 0.000 0.244 148 L C 0.258 177.235 176.870 0.178 0.000 1.235 148 L CA 1.025 55.937 54.840 0.121 0.000 1.062 148 L CB -1.197 40.995 42.059 0.221 0.000 1.340 148 L HN -0.598 7.572 8.230 -0.100 0.000 0.439 149 L N -0.439 120.901 121.223 0.195 0.000 2.435 149 L HA 0.075 4.482 4.340 0.111 0.000 0.195 149 L C 1.437 178.374 176.870 0.111 0.000 1.072 149 L CA 1.401 56.323 54.840 0.137 0.000 0.833 149 L CB 0.667 42.793 42.059 0.111 0.000 1.081 149 L HN -0.830 7.433 8.230 0.220 0.099 0.485 150 G N -1.921 106.968 108.800 0.148 0.000 2.422 150 G HA2 -0.273 3.874 3.960 -0.097 0.000 0.218 150 G HA3 -0.273 3.572 3.960 -0.192 0.000 0.218 150 G C 1.117 175.928 174.900 -0.149 0.000 1.146 150 G CA 1.775 46.834 45.100 -0.069 0.000 0.769 150 G HN 0.029 8.466 8.290 0.246 0.000 0.547 151 W N -0.841 120.386 121.300 -0.122 0.000 2.418 151 W HA -0.184 4.448 4.660 -0.246 -0.120 0.292 151 W C 1.642 177.999 176.519 -0.270 0.000 1.213 151 W CA 2.684 59.903 57.345 -0.211 0.000 1.283 151 W CB 0.018 29.391 29.460 -0.144 0.000 1.119 151 W HN -0.665 7.947 8.180 0.736 0.010 0.542 152 I N -4.222 116.353 120.570 0.008 0.000 2.614 152 I HA -0.492 3.725 4.170 -0.217 -0.178 0.258 152 I C 1.501 177.516 176.117 -0.170 0.000 1.189 152 I CA 3.024 64.214 61.300 -0.183 0.000 1.462 152 I CB -0.711 37.092 38.000 -0.328 0.000 1.092 152 I HN -0.115 8.160 8.210 0.108 0.000 0.442 153 Q N -0.709 119.016 119.800 -0.125 0.000 2.096 153 Q HA -0.283 4.006 4.340 -0.086 0.000 0.197 153 Q C 2.666 178.586 176.000 -0.133 0.000 0.964 153 Q CA 3.339 59.075 55.803 -0.111 0.000 0.838 153 Q CB -0.110 28.568 28.738 -0.100 0.000 0.906 153 Q HN -0.557 7.504 8.270 -0.100 0.149 0.444 154 D N 0.248 120.534 120.400 -0.190 0.000 2.144 154 D HA -0.262 4.282 4.640 -0.160 0.000 0.199 154 D C 1.294 177.502 176.300 -0.153 0.000 0.984 154 D CA 2.825 56.709 54.000 -0.194 0.000 0.834 154 D CB -0.268 40.366 40.800 -0.277 0.000 0.955 154 D HN -0.551 7.684 8.370 -0.225 0.000 0.465 155 Q N -3.669 116.030 119.800 -0.168 0.000 2.515 155 Q HA -0.101 4.194 4.340 -0.075 0.000 0.214 155 Q C 1.520 177.498 176.000 -0.037 0.000 0.971 155 Q CA 0.218 55.963 55.803 -0.096 0.000 0.952 155 Q CB -0.084 28.598 28.738 -0.093 0.000 0.999 155 Q HN -0.683 7.461 8.270 -0.211 0.000 0.524 156 G N 0.318 109.088 108.800 -0.051 0.000 3.329 156 G HA2 -0.457 3.492 3.960 -0.018 0.000 0.220 156 G HA3 -0.457 3.510 3.960 0.011 0.000 0.220 156 G C -1.632 173.265 174.900 -0.005 0.000 1.358 156 G CA 0.032 45.124 45.100 -0.013 0.000 0.856 156 G HN 0.203 8.211 8.290 -0.081 0.234 0.551 157 G N -2.814 105.985 108.800 -0.003 0.000 2.320 157 G HA2 0.058 4.045 3.960 -0.105 0.000 0.296 157 G HA3 0.058 4.071 3.960 0.088 0.000 0.296 157 G C -1.917 173.005 174.900 0.036 0.000 1.306 157 G CA -0.555 44.544 45.100 -0.002 0.000 0.836 157 G HN -0.856 7.350 8.290 0.007 0.088 0.517 158 W N 0.480 121.872 121.300 0.153 0.000 2.560 158 W HA -0.294 4.510 4.660 0.239 0.000 0.252 158 W C 0.197 176.831 176.519 0.191 0.000 1.242 158 W CA 2.534 59.995 57.345 0.194 0.000 1.242 158 W CB -0.308 29.256 29.460 0.174 0.000 1.136 158 W HN 0.484 8.821 8.180 0.262 0.000 0.625 159 D N -2.092 118.500 120.400 0.321 0.000 2.178 159 D HA -0.355 4.441 4.640 0.261 0.000 0.201 159 D C 2.220 178.668 176.300 0.247 0.000 0.980 159 D CA 2.114 56.264 54.000 0.250 0.000 0.842 159 D CB -1.048 39.857 40.800 0.174 0.000 0.948 159 D HN -0.351 8.083 8.370 0.267 0.096 0.472 160 G N -0.149 108.796 108.800 0.242 0.000 2.422 160 G HA2 -0.275 3.813 3.960 0.214 0.000 0.218 160 G HA3 -0.275 3.844 3.960 0.266 0.000 0.218 160 G C 1.130 176.239 174.900 0.348 0.000 1.140 160 G CA 1.647 46.904 45.100 0.262 0.000 0.775 160 G HN 0.028 8.427 8.290 0.214 0.020 0.545 161 L N 2.375 123.858 121.223 0.433 0.000 1.970 161 L HA -0.232 4.441 4.340 0.554 0.000 0.212 161 L C 1.272 178.460 176.870 0.530 0.000 1.071 161 L CA 2.609 57.771 54.840 0.537 0.000 0.751 161 L CB -0.113 42.354 42.059 0.680 0.000 0.889 161 L HN -0.935 7.421 8.230 0.416 0.124 0.432 162 L N -4.062 117.439 121.223 0.465 0.000 2.217 162 L HA -0.195 4.498 4.340 0.588 0.000 0.211 162 L C 0.944 178.011 176.870 0.328 0.000 1.107 162 L CA 2.121 57.217 54.840 0.427 0.000 0.783 162 L CB -0.068 42.161 42.059 0.284 0.000 0.919 162 L HN -0.667 7.822 8.230 0.432 0.000 0.442 163 S N -2.682 113.165 115.700 0.246 0.000 2.453 163 S HA -0.249 4.298 4.470 0.128 0.000 0.231 163 S C 1.124 175.767 174.600 0.071 0.000 1.005 163 S CA 2.824 61.112 58.200 0.146 0.000 0.949 163 S CB 0.160 63.436 63.200 0.127 0.000 0.774 163 S HN -0.297 8.067 8.310 0.266 0.106 0.510 164 Y N 0.896 121.129 120.300 -0.111 0.000 2.163 164 Y HA -0.278 3.997 4.550 -0.458 0.000 0.288 164 Y C 0.360 176.025 175.900 -0.392 0.000 1.136 164 Y CA 2.621 60.450 58.100 -0.452 0.000 1.147 164 Y CB 0.427 38.352 38.460 -0.892 0.000 0.987 164 Y HN -0.591 7.672 8.280 0.216 0.147 0.509 165 F N -2.855 116.976 119.950 -0.198 0.000 1.987 165 F HA -0.258 4.029 4.527 -0.400 0.000 0.299 165 F C 1.309 177.005 175.800 -0.173 0.000 1.451 165 F CA 2.648 60.533 58.000 -0.191 0.000 1.167 165 F CB 0.004 39.070 39.000 0.109 0.000 0.932 165 F HN -1.021 7.388 8.300 0.182 0.000 0.518 166 G N -3.763 105.216 108.800 0.298 0.000 2.256 166 G HA2 -0.321 3.814 3.960 0.292 0.000 0.279 166 G HA3 -0.321 3.692 3.960 0.090 0.000 0.279 166 G C -0.639 174.189 174.900 -0.120 0.000 0.998 166 G CA 0.632 45.819 45.100 0.144 0.000 0.720 166 G HN 0.077 8.685 8.290 0.529 0.000 0.521 167 T N -1.860 112.478 114.554 -0.360 0.000 2.889 167 T HA 0.269 4.379 4.350 -0.399 0.000 0.291 167 T C -1.406 172.682 174.700 -1.019 0.000 0.995 167 T CA -3.391 58.368 62.100 -0.568 0.000 1.092 167 T CB 0.849 69.382 68.868 -0.559 0.000 0.954 167 T HN -0.659 7.335 8.240 -0.249 0.096 0.506 168 P HA -0.111 3.945 4.420 -0.607 0.000 0.210 168 P C -0.352 176.315 177.300 -1.054 0.000 1.191 168 P CA 1.189 63.868 63.100 -0.701 0.000 0.917 168 P CB -0.136 31.375 31.700 -0.315 0.000 0.778 169 T N -1.022 113.161 114.554 -0.618 0.000 2.758 169 T HA -0.185 3.990 4.350 -0.291 0.000 0.281 169 T C 1.334 175.741 174.700 -0.488 0.000 0.963 169 T CA 1.063 62.910 62.100 -0.422 0.000 1.201 169 T CB -0.087 68.647 68.868 -0.222 0.000 0.906 169 T HN -0.234 7.736 8.240 -0.450 0.000 0.528 170 W N 7.299 128.605 121.300 0.011 0.000 3.290 170 W HA 0.065 4.754 4.660 0.048 0.000 0.287 170 W C 0.362 176.903 176.519 0.037 0.000 1.288 170 W CA 0.482 57.846 57.345 0.031 0.000 1.725 170 W CB -0.167 29.306 29.460 0.023 0.000 1.103 170 W HN 0.194 8.335 8.180 -0.065 0.000 0.670 171 Q N -1.310 118.590 119.800 0.166 0.000 2.432 171 Q HA 0.047 4.468 4.340 0.135 0.000 0.205 171 Q C 1.600 177.653 176.000 0.089 0.000 0.945 171 Q CA 1.884 57.756 55.803 0.115 0.000 0.924 171 Q CB -0.408 28.371 28.738 0.069 0.000 1.016 171 Q HN -0.405 7.862 8.270 0.095 0.060 0.503 172 T N 0.465 115.066 114.554 0.078 0.000 3.051 172 T HA -0.140 4.248 4.350 0.064 0.000 0.255 172 T C 1.009 175.842 174.700 0.222 0.000 1.085 172 T CA 2.586 64.744 62.100 0.096 0.000 1.109 172 T CB 0.025 68.921 68.868 0.048 0.000 0.921 172 T HN -0.361 7.860 8.240 0.052 0.051 0.488 173 V N -3.849 116.197 119.914 0.221 0.000 2.725 173 V HA -0.017 4.305 4.120 0.336 0.000 0.247 173 V C 1.048 177.308 176.094 0.276 0.000 1.058 173 V CA 2.431 64.908 62.300 0.295 0.000 1.080 173 V CB -0.618 31.421 31.823 0.361 0.000 0.713 173 V HN -0.756 7.521 8.190 0.192 0.029 0.465 174 T N -0.264 114.417 114.554 0.211 0.000 2.857 174 T HA -0.247 4.172 4.350 0.114 0.000 0.266 174 T C 2.112 176.874 174.700 0.103 0.000 1.048 174 T CA 3.891 66.070 62.100 0.132 0.000 1.139 174 T CB -0.006 68.922 68.868 0.101 0.000 0.874 174 T HN -0.645 7.723 8.240 0.214 0.000 0.455 175 I N 1.015 121.645 120.570 0.100 0.000 2.928 175 I HA -0.280 3.903 4.170 0.021 0.000 0.266 175 I C 1.066 177.204 176.117 0.035 0.000 1.234 175 I CA 2.243 63.566 61.300 0.037 0.000 1.483 175 I CB -0.397 37.600 38.000 -0.005 0.000 1.097 175 I HN -0.776 7.505 8.210 0.117 0.000 0.455 176 F N 1.487 121.449 119.950 0.021 0.000 2.022 176 F HA -0.337 4.192 4.527 0.004 0.000 0.293 176 F C 1.435 177.230 175.800 -0.009 0.000 1.142 176 F CA 4.470 62.478 58.000 0.014 0.000 1.177 176 F CB -0.161 38.866 39.000 0.045 0.000 0.982 176 F HN -0.747 7.578 8.300 0.285 0.146 0.473 177 V N -2.215 117.868 119.914 0.282 0.000 2.332 177 V HA -0.527 3.661 4.120 0.112 0.000 0.248 177 V C 1.524 177.653 176.094 0.058 0.000 1.055 177 V CA 4.155 66.529 62.300 0.123 0.000 1.038 177 V CB -0.979 30.885 31.823 0.068 0.000 0.651 177 V HN -0.625 7.752 8.190 0.312 0.000 0.450 178 A N -0.029 122.817 122.820 0.043 0.000 1.877 178 A HA -0.260 4.064 4.320 0.008 0.000 0.216 178 A C 2.136 179.721 177.584 0.001 0.000 1.186 178 A CA 3.400 55.444 52.037 0.011 0.000 0.620 178 A CB -0.839 18.163 19.000 0.004 0.000 0.822 178 A HN -0.397 7.786 8.150 0.063 0.005 0.443 179 G N -1.781 107.010 108.800 -0.014 0.000 2.422 179 G HA2 -0.261 3.674 3.960 -0.042 0.000 0.218 179 G HA3 -0.261 3.689 3.960 -0.091 -0.045 0.218 179 G C 1.691 176.565 174.900 -0.042 0.000 1.146 179 G CA 1.966 47.036 45.100 -0.050 0.000 0.769 179 G HN -0.042 8.127 8.290 -0.006 0.117 0.547 180 V N 2.881 122.786 119.914 -0.016 0.000 2.379 180 V HA -0.177 3.913 4.120 -0.049 0.000 0.243 180 V C 1.383 177.445 176.094 -0.053 0.000 1.035 180 V CA 3.409 65.691 62.300 -0.030 0.000 1.035 180 V CB -0.061 31.767 31.823 0.010 0.000 0.673 180 V HN -0.006 8.108 8.190 0.019 0.088 0.457 181 L N 0.004 121.206 121.223 -0.034 0.000 2.046 181 L HA -0.245 4.038 4.340 -0.094 0.000 0.208 181 L C 1.874 178.726 176.870 -0.029 0.000 1.077 181 L CA 3.681 58.495 54.840 -0.042 0.000 0.747 181 L CB -1.211 40.859 42.059 0.018 0.000 0.896 181 L HN 0.723 8.819 8.230 -0.007 0.130 0.432 182 T N 0.611 115.161 114.554 -0.007 0.000 2.788 182 T HA -0.396 3.964 4.350 0.017 0.000 0.268 182 T C 1.447 176.144 174.700 -0.004 0.000 1.044 182 T CA 4.875 66.977 62.100 0.004 0.000 1.139 182 T CB -0.634 68.238 68.868 0.007 0.000 0.867 182 T HN 0.139 8.268 8.240 -0.005 0.108 0.454 183 A N 1.645 124.453 122.820 -0.021 0.000 1.873 183 A HA -0.304 4.009 4.320 -0.011 0.000 0.218 183 A C 1.946 179.524 177.584 -0.011 0.000 1.193 183 A CA 2.977 55.001 52.037 -0.021 0.000 0.629 183 A CB -1.046 17.929 19.000 -0.042 0.000 0.826 183 A HN -0.611 7.426 8.150 -0.030 0.096 0.447 184 S N -0.822 114.856 115.700 -0.038 0.000 2.370 184 S HA -0.362 4.100 4.470 -0.012 0.000 0.226 184 S C 2.039 176.668 174.600 0.049 0.000 1.033 184 S CA 4.449 62.632 58.200 -0.029 0.000 1.011 184 S CB -0.178 62.948 63.200 -0.124 0.000 0.852 184 S HN -0.756 7.517 8.310 -0.063 0.000 0.457 185 L N -0.204 121.034 121.223 0.025 0.000 2.156 185 L HA -0.301 4.094 4.340 0.091 0.000 0.208 185 L C 1.953 178.908 176.870 0.141 0.000 1.095 185 L CA 2.446 57.333 54.840 0.078 0.000 0.770 185 L CB -0.345 41.731 42.059 0.028 0.000 0.914 185 L HN -0.793 7.340 8.230 -0.011 0.091 0.439 186 T N 0.132 114.738 114.554 0.086 0.000 2.708 186 T HA -0.304 4.092 4.350 0.077 0.000 0.266 186 T C 1.769 176.523 174.700 0.090 0.000 1.037 186 T CA 4.565 66.710 62.100 0.075 0.000 1.146 186 T CB 0.056 68.945 68.868 0.036 0.000 0.865 186 T HN 0.104 8.144 8.240 0.052 0.232 0.435 187 I N -3.556 117.068 120.570 0.090 0.000 2.494 187 I HA -0.008 4.186 4.170 0.040 0.000 0.250 187 I C 0.547 176.728 176.117 0.107 0.000 1.112 187 I CA 2.022 63.363 61.300 0.068 0.000 1.438 187 I CB -0.308 37.714 38.000 0.036 0.000 1.111 187 I HN -0.652 7.607 8.210 0.082 0.000 0.431 188 W N 0.417 121.705 121.300 -0.020 0.000 2.316 188 W HA -0.509 4.142 4.660 -0.015 0.000 0.275 188 W C 0.807 177.329 176.519 0.005 0.000 1.198 188 W CA 3.714 61.053 57.345 -0.010 0.000 1.161 188 W CB -0.096 29.358 29.460 -0.009 0.000 1.135 188 W HN -0.164 8.184 8.180 0.279 0.000 0.567 189 K N -3.212 117.284 120.400 0.162 0.000 1.990 189 K HA -0.453 3.987 4.320 0.201 0.000 0.225 189 K C 1.170 177.616 176.600 -0.256 0.000 1.053 189 K CA 2.552 58.860 56.287 0.035 0.000 0.982 189 K CB -0.198 32.336 32.500 0.057 0.000 0.734 189 K HN -0.286 8.003 8.250 0.219 0.092 0.448 190 K N -5.183 115.098 120.400 -0.198 0.000 3.080 190 K HA 0.031 4.145 4.320 -0.343 0.000 0.200 190 K C -0.417 176.085 176.600 -0.163 0.000 1.741 190 K CA 0.431 56.582 56.287 -0.226 0.000 1.386 190 K CB 1.006 33.420 32.500 -0.144 0.000 2.059 190 K HN -0.222 7.960 8.250 -0.114 0.000 0.612 191 M N -0.199 119.341 119.600 -0.100 0.000 1.361 191 M HA -0.047 4.389 4.480 -0.073 0.000 0.169 191 M C -0.711 175.563 176.300 -0.044 0.000 1.136 191 M CA 0.462 55.719 55.300 -0.071 0.000 0.595 191 M CB 0.860 33.419 32.600 -0.069 0.000 1.679 191 M HN -0.126 8.116 8.290 -0.080 0.000 0.645 192 G N 0.000 108.778 108.800 -0.037 0.000 5.446 192 G HA2 0.000 nan 3.960 nan 0.000 0.244 192 G HA3 0.000 3.948 3.960 -0.019 0.000 0.244 192 G CA 0.000 45.086 45.100 -0.024 0.000 0.502 192 G HN 0.000 8.264 8.290 -0.043 0.000 0.925