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 2aeb_1_B DATA FIRST_RESID 5 DATA SEQUENCE SRTIGIIGAP FSKGQPRGGV EEGPTVLRKA GLLEKLKEQE CDVKDYGDLP DATA SEQUENCE FADIPNDSPF QIVKNPRSVG KASEQLAGKV AEVKKNGRIS LVLGGDHSLA DATA SEQUENCE IGSISGHARV HPDLGVIWVD AHTDINTPLT TTSGNLHGQP VSFLLKELKG DATA SEQUENCE KIPDVPGFSW VTPCISAKDI VYIGLRDVDP GEHYILKTLG IKYFSMTEVD DATA SEQUENCE RLGIGKVMEE TLSYLLGRKK RPIHLSFDVD GLDPSFTPAT GTPVVGGLTY DATA SEQUENCE REGLYITEEI YKTGLLSGLD IMEVNPSLGK TPEEVTRTVN TAVAITLACF DATA SEQUENCE GLAREGNHK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 S HA 0.000 4.490 4.470 0.033 0.000 0.327 5 S C 0.000 174.631 174.600 0.052 0.000 1.055 5 S CA 0.000 58.224 58.200 0.040 0.000 1.107 5 S CB 0.000 63.230 63.200 0.049 0.000 0.593 6 R N 2.971 123.513 120.500 0.070 0.000 2.985 6 R HA 0.278 4.664 4.340 0.076 0.000 0.259 6 R C -1.261 175.089 176.300 0.083 0.000 1.815 6 R CA -0.259 55.897 56.100 0.094 0.000 1.278 6 R CB 0.891 31.280 30.300 0.148 0.000 1.403 6 R HN -0.037 8.273 8.270 0.067 0.000 0.534 7 T N 3.248 117.833 114.554 0.052 0.000 2.813 7 T HA 0.151 4.602 4.350 -0.001 -0.101 0.297 7 T C -0.721 173.981 174.700 0.003 0.000 1.036 7 T CA 1.222 63.333 62.100 0.019 0.000 1.044 7 T CB 1.148 70.032 68.868 0.025 0.000 0.993 7 T HN 0.163 8.434 8.240 0.052 0.000 0.535 8 I N 0.633 121.164 120.570 -0.064 0.000 2.569 8 I HA 0.403 4.690 4.170 -0.075 -0.163 0.296 8 I C -1.362 174.746 176.117 -0.014 0.000 1.028 8 I CA -1.700 59.530 61.300 -0.116 0.000 1.082 8 I CB 3.784 41.556 38.000 -0.380 0.000 1.264 8 I HN 0.943 9.000 8.210 -0.069 0.112 0.429 9 G N 4.179 113.000 108.800 0.036 0.000 2.728 9 G HA2 0.606 4.960 3.960 0.322 0.000 0.296 9 G HA3 0.606 4.701 3.960 0.225 0.000 0.296 9 G C -1.592 173.371 174.900 0.104 0.000 1.401 9 G CA -0.912 44.310 45.100 0.203 0.000 1.007 9 G HN 0.582 8.869 8.290 -0.005 0.000 0.527 10 I N 6.281 126.930 120.570 0.133 0.000 2.474 10 I HA 0.389 4.750 4.170 0.028 -0.174 0.287 10 I C -1.220 174.967 176.117 0.117 0.000 1.048 10 I CA -1.391 59.952 61.300 0.071 0.000 1.383 10 I CB 0.455 38.472 38.000 0.029 0.000 1.412 10 I HN 0.452 8.754 8.210 0.153 0.000 0.531 11 I N 4.676 125.281 120.570 0.059 0.000 2.439 11 I HA 0.429 4.769 4.170 0.074 -0.125 0.285 11 I C -1.007 175.144 176.117 0.057 0.000 1.021 11 I CA -1.352 59.980 61.300 0.052 0.000 1.091 11 I CB 2.638 40.645 38.000 0.011 0.000 1.242 11 I HN 0.423 8.659 8.210 0.042 0.000 0.439 12 G N 5.170 114.001 108.800 0.052 0.000 2.372 12 G HA2 0.475 4.480 3.960 0.075 0.000 0.283 12 G HA3 0.475 4.753 3.960 0.055 -0.286 0.283 12 G C -2.413 172.552 174.900 0.108 0.000 1.177 12 G CA -1.426 43.715 45.100 0.068 0.000 0.842 12 G HN 0.736 8.943 8.290 0.044 0.109 0.503 13 A N 2.637 125.573 122.820 0.193 0.000 2.978 13 A HA 0.546 5.158 4.320 0.486 0.000 0.341 13 A C -2.552 175.295 177.584 0.438 0.000 1.105 13 A CA -2.910 49.364 52.037 0.395 0.000 0.819 13 A CB 0.820 20.031 19.000 0.350 0.000 1.080 13 A HN 0.484 8.733 8.150 0.165 0.000 0.476 14 P HA 0.044 4.676 4.420 0.232 -0.073 0.249 14 P C -2.204 175.351 177.300 0.424 0.000 1.737 14 P CA -0.297 62.999 63.100 0.327 0.000 1.128 14 P CB -1.895 29.940 31.700 0.224 0.000 1.942 15 F N 5.180 125.202 119.950 0.120 0.000 2.547 15 F HA 0.227 4.732 4.527 -0.037 0.000 0.316 15 F C -1.661 174.110 175.800 -0.048 0.000 1.121 15 F CA -1.118 56.841 58.000 -0.069 0.000 0.911 15 F CB 3.465 42.203 39.000 -0.438 0.000 1.179 15 F HN -0.352 8.110 8.300 0.332 0.036 0.443 16 S N 5.928 121.098 115.700 -0.883 0.000 2.632 16 S HA 0.183 4.515 4.470 -0.346 -0.070 0.237 16 S C 0.791 174.972 174.600 -0.699 0.000 1.037 16 S CA 0.633 58.492 58.200 -0.568 0.000 1.009 16 S CB 1.072 64.094 63.200 -0.297 0.000 0.974 16 S HN 0.335 7.948 8.310 -1.162 0.000 0.544 17 K N 2.886 122.532 120.400 -1.257 0.000 2.525 17 K HA 0.002 4.088 4.320 -0.389 0.000 0.192 17 K C 1.158 177.655 176.600 -0.170 0.000 1.029 17 K CA 1.458 57.398 56.287 -0.579 0.000 1.029 17 K CB -0.524 31.730 32.500 -0.411 0.000 0.814 17 K HN -0.137 6.650 8.250 -2.439 0.000 0.503 18 G N -2.205 106.567 108.800 -0.046 0.000 2.776 18 G HA2 -0.082 3.970 3.960 0.154 0.000 0.209 18 G HA3 -0.082 4.154 3.960 0.194 -0.159 0.209 18 G C -1.536 173.284 174.900 -0.134 0.000 1.145 18 G CA 0.273 45.424 45.100 0.085 0.000 0.791 18 G HN -0.136 8.300 8.290 -0.118 -0.217 0.530 19 Q N -3.748 115.891 119.800 -0.269 0.000 2.687 19 Q HA 0.380 4.501 4.340 -0.364 0.000 0.295 19 Q C -2.821 173.039 176.000 -0.233 0.000 0.920 19 Q CA -1.660 53.894 55.803 -0.415 0.000 0.766 19 Q CB -0.850 27.351 28.738 -0.895 0.000 1.467 19 Q HN -0.644 7.405 8.270 -0.238 0.078 0.415 20 P HA -0.048 4.316 4.420 -0.093 0.000 0.225 20 P C -0.805 176.441 177.300 -0.091 0.000 1.156 20 P CA 0.691 63.730 63.100 -0.101 0.000 0.787 20 P CB 0.433 32.097 31.700 -0.060 0.000 0.802 21 R N -0.118 120.327 120.500 -0.092 0.000 2.202 21 R HA 0.125 4.435 4.340 -0.050 0.000 0.334 21 R C 1.092 177.349 176.300 -0.073 0.000 1.036 21 R CA -0.620 55.444 56.100 -0.061 0.000 0.878 21 R CB -0.027 30.253 30.300 -0.033 0.000 1.067 21 R HN -0.815 7.564 8.270 -0.110 -0.175 0.457 22 G N 4.024 112.785 108.800 -0.065 0.000 2.509 22 G HA2 -0.112 3.782 3.960 -0.110 0.000 0.218 22 G HA3 -0.112 3.809 3.960 -0.066 0.000 0.218 22 G C 0.168 175.038 174.900 -0.050 0.000 1.124 22 G CA 1.011 46.066 45.100 -0.075 0.000 0.776 22 G HN 0.645 8.903 8.290 -0.053 0.000 0.547 23 G N -0.778 108.006 108.800 -0.027 0.000 2.744 23 G HA2 -0.027 3.997 3.960 -0.005 0.000 0.211 23 G HA3 -0.027 4.004 3.960 -0.000 -0.070 0.211 23 G C 0.942 175.844 174.900 0.004 0.000 1.143 23 G CA 0.555 45.651 45.100 -0.007 0.000 0.788 23 G HN 0.172 8.395 8.290 -0.026 0.052 0.534 24 V N 3.147 123.060 119.914 -0.001 0.000 2.867 24 V HA -0.264 4.053 4.120 0.032 -0.178 0.260 24 V C 0.833 176.945 176.094 0.031 0.000 1.099 24 V CA 1.672 63.983 62.300 0.019 0.000 1.122 24 V CB -0.313 31.521 31.823 0.017 0.000 0.708 24 V HN -0.272 7.869 8.190 -0.016 0.039 0.490 25 E N -0.700 119.509 120.200 0.016 0.000 2.209 25 E HA -0.342 4.053 4.350 0.076 0.000 0.196 25 E C 1.462 178.098 176.600 0.060 0.000 0.993 25 E CA 2.946 59.374 56.400 0.047 0.000 0.819 25 E CB -0.305 29.411 29.700 0.026 0.000 0.745 25 E HN -0.588 7.724 8.360 -0.009 0.042 0.477 26 E N -2.369 117.856 120.200 0.043 0.000 2.358 26 E HA -0.111 4.262 4.350 0.039 0.000 0.195 26 E C 1.909 178.534 176.600 0.043 0.000 1.010 26 E CA 1.453 57.877 56.400 0.039 0.000 0.856 26 E CB -0.149 29.567 29.700 0.028 0.000 0.795 26 E HN -0.640 7.685 8.360 0.033 0.055 0.504 27 G N -0.014 108.816 108.800 0.050 0.000 2.469 27 G HA2 -0.193 3.792 3.960 0.042 0.000 0.219 27 G HA3 -0.193 3.963 3.960 0.053 -0.164 0.219 27 G C -1.286 173.642 174.900 0.046 0.000 1.150 27 G CA 3.045 48.174 45.100 0.048 0.000 0.763 27 G HN -0.388 7.883 8.290 0.052 0.051 0.561 28 P HA -0.221 4.225 4.420 0.044 0.000 0.216 28 P C 1.727 179.047 177.300 0.032 0.000 1.153 28 P CA 3.150 66.279 63.100 0.048 0.000 0.848 28 P CB -0.183 31.555 31.700 0.062 0.000 0.787 29 T N 0.085 114.659 114.554 0.033 0.000 2.737 29 T HA -0.376 3.985 4.350 0.018 0.000 0.265 29 T C 1.746 176.457 174.700 0.018 0.000 1.038 29 T CA 5.128 67.241 62.100 0.022 0.000 1.144 29 T CB -0.448 68.433 68.868 0.022 0.000 0.866 29 T HN -0.865 7.399 8.240 0.040 0.000 0.434 30 V N 1.348 121.275 119.914 0.022 0.000 2.515 30 V HA -0.376 3.754 4.120 0.016 0.000 0.250 30 V C 1.759 177.863 176.094 0.016 0.000 1.058 30 V CA 3.531 65.843 62.300 0.019 0.000 1.064 30 V CB -1.195 30.642 31.823 0.023 0.000 0.675 30 V HN -0.256 7.950 8.190 0.026 0.000 0.461 31 L N -1.037 120.196 121.223 0.017 0.000 2.042 31 L HA -0.472 3.874 4.340 0.009 0.000 0.210 31 L C 2.139 179.011 176.870 0.004 0.000 1.076 31 L CA 3.613 58.459 54.840 0.010 0.000 0.749 31 L CB -0.803 41.262 42.059 0.010 0.000 0.893 31 L HN -0.406 7.837 8.230 0.021 0.000 0.432 32 R N -2.715 117.787 120.500 0.004 0.000 2.073 32 R HA -0.316 4.019 4.340 -0.007 0.000 0.229 32 R C 2.891 179.190 176.300 -0.003 0.000 1.120 32 R CA 3.369 59.468 56.100 -0.002 0.000 0.967 32 R CB -0.078 30.221 30.300 -0.001 0.000 0.862 32 R HN -0.431 7.845 8.270 0.009 0.000 0.436 33 K N -0.864 119.538 120.400 0.002 0.000 2.211 33 K HA -0.169 4.151 4.320 -0.000 0.000 0.203 33 K C 1.007 177.608 176.600 0.002 0.000 1.050 33 K CA 2.305 58.594 56.287 0.002 0.000 0.945 33 K CB -0.505 31.999 32.500 0.005 0.000 0.732 33 K HN -0.089 8.164 8.250 0.005 0.000 0.451 34 A N -2.668 120.154 122.820 0.004 0.000 2.235 34 A HA 0.012 4.336 4.320 0.006 0.000 0.208 34 A C -0.167 177.417 177.584 -0.000 0.000 1.172 34 A CA 0.309 52.349 52.037 0.005 0.000 0.786 34 A CB 0.213 19.219 19.000 0.009 0.000 0.804 34 A HN -0.483 7.645 8.150 0.005 0.024 0.479 35 G N -4.100 104.696 108.800 -0.005 0.000 2.134 35 G HA2 -0.282 3.805 3.960 -0.012 0.000 0.209 35 G HA3 -0.282 3.673 3.960 -0.009 0.000 0.209 35 G C 0.646 175.536 174.900 -0.017 0.000 0.993 35 G CA -0.170 44.924 45.100 -0.011 0.000 0.669 35 G HN -0.642 7.468 8.290 -0.005 0.177 0.519 36 L N 0.858 122.071 121.223 -0.018 0.000 1.997 36 L HA -0.360 3.966 4.340 -0.024 0.000 0.216 36 L C 0.487 177.332 176.870 -0.042 0.000 1.074 36 L CA 4.086 58.910 54.840 -0.027 0.000 0.763 36 L CB -0.196 41.848 42.059 -0.024 0.000 0.890 36 L HN -0.830 7.392 8.230 -0.013 0.000 0.434 37 L N -3.738 117.459 121.223 -0.043 0.000 2.027 37 L HA -0.423 3.871 4.340 -0.075 0.000 0.206 37 L C 2.324 179.161 176.870 -0.054 0.000 1.074 37 L CA 3.072 57.877 54.840 -0.058 0.000 0.745 37 L CB -0.697 41.332 42.059 -0.050 0.000 0.898 37 L HN -0.132 8.078 8.230 -0.035 0.000 0.433 38 E N -0.869 119.307 120.200 -0.039 0.000 2.058 38 E HA -0.424 3.905 4.350 -0.036 0.000 0.194 38 E C 2.291 178.870 176.600 -0.035 0.000 0.997 38 E CA 3.747 60.126 56.400 -0.034 0.000 0.801 38 E CB -0.822 28.863 29.700 -0.025 0.000 0.746 38 E HN -0.142 8.197 8.360 -0.034 0.000 0.450 39 K N -0.585 119.795 120.400 -0.032 0.000 2.103 39 K HA -0.319 4.116 4.320 -0.026 -0.131 0.207 39 K C 2.738 179.313 176.600 -0.041 0.000 1.048 39 K CA 3.143 59.411 56.287 -0.030 0.000 0.930 39 K CB -0.100 32.386 32.500 -0.024 0.000 0.716 39 K HN -0.202 8.030 8.250 -0.030 0.000 0.444 40 L N -1.878 119.309 121.223 -0.060 0.000 2.017 40 L HA -0.336 3.961 4.340 -0.071 0.000 0.208 40 L C 1.988 178.814 176.870 -0.073 0.000 1.073 40 L CA 3.243 58.032 54.840 -0.085 0.000 0.745 40 L CB -0.274 41.692 42.059 -0.155 0.000 0.894 40 L HN -0.261 7.931 8.230 -0.062 0.000 0.432 41 K N -2.986 117.375 120.400 -0.065 0.000 2.211 41 K HA -0.220 4.219 4.320 -0.055 -0.151 0.203 41 K C 1.788 178.366 176.600 -0.036 0.000 1.050 41 K CA 1.743 58.000 56.287 -0.051 0.000 0.945 41 K CB -0.523 31.949 32.500 -0.047 0.000 0.732 41 K HN -0.602 7.609 8.250 -0.065 0.000 0.451 42 E N -3.671 116.509 120.200 -0.032 0.000 2.204 42 E HA -0.328 4.011 4.350 -0.019 0.000 0.195 42 E C 0.659 177.246 176.600 -0.022 0.000 0.990 42 E CA 1.791 58.177 56.400 -0.023 0.000 0.821 42 E CB 0.219 29.907 29.700 -0.020 0.000 0.750 42 E HN -0.462 7.856 8.360 -0.035 0.020 0.477 43 Q N -2.406 117.376 119.800 -0.030 0.000 2.796 43 Q HA 0.092 4.416 4.340 -0.027 0.000 0.178 43 Q C 1.539 177.524 176.000 -0.025 0.000 1.063 43 Q CA -0.784 54.999 55.803 -0.032 0.000 0.848 43 Q CB 0.850 29.560 28.738 -0.048 0.000 3.016 43 Q HN -0.734 7.385 8.270 -0.035 0.130 0.413 44 E N -2.856 117.332 120.200 -0.020 0.000 2.526 44 E HA -0.052 4.298 4.350 -0.000 0.000 0.198 44 E C -0.489 176.110 176.600 -0.001 0.000 1.091 44 E CA 0.375 56.775 56.400 0.001 0.000 0.880 44 E CB -1.061 28.656 29.700 0.029 0.000 0.873 44 E HN 0.237 8.579 8.360 -0.029 0.000 0.527 45 C N 0.011 119.296 119.300 -0.025 0.000 2.358 45 C HA 0.157 4.606 4.460 -0.018 0.000 0.342 45 C C -0.943 174.015 174.990 -0.053 0.000 1.234 45 C CA -0.507 58.485 59.018 -0.044 0.000 1.969 45 C CB 1.471 29.145 27.740 -0.110 0.000 2.346 45 C HN -0.652 7.504 8.230 -0.034 0.053 0.525 46 D N 4.178 124.551 120.400 -0.045 0.000 2.441 46 D HA 0.132 4.746 4.640 -0.043 0.000 0.221 46 D C -1.591 174.668 176.300 -0.068 0.000 1.156 46 D CA -0.788 53.186 54.000 -0.043 0.000 0.896 46 D CB 0.013 40.802 40.800 -0.018 0.000 1.028 46 D HN 0.500 8.851 8.370 -0.032 0.000 0.509 47 V N 5.465 125.329 119.914 -0.084 0.000 2.427 47 V HA 0.276 4.475 4.120 -0.111 -0.146 0.286 47 V C -0.971 175.079 176.094 -0.075 0.000 1.034 47 V CA -1.210 61.032 62.300 -0.097 0.000 0.893 47 V CB 1.174 32.929 31.823 -0.113 0.000 0.982 47 V HN -0.105 8.039 8.190 -0.076 0.000 0.452 48 K N 5.756 126.122 120.400 -0.057 0.000 2.443 48 K HA 0.241 4.486 4.320 -0.124 0.000 0.252 48 K C -2.199 174.357 176.600 -0.072 0.000 0.933 48 K CA -2.464 53.758 56.287 -0.108 0.000 0.792 48 K CB 3.600 35.994 32.500 -0.176 0.000 1.185 48 K HN 0.173 8.405 8.250 -0.030 0.000 0.425 49 D N 3.576 123.906 120.400 -0.117 0.000 2.456 49 D HA 0.182 4.840 4.640 0.029 0.000 0.219 49 D C 0.214 176.456 176.300 -0.097 0.000 1.126 49 D CA -0.848 53.123 54.000 -0.048 0.000 0.890 49 D CB -0.196 40.574 40.800 -0.050 0.000 1.025 49 D HN 0.249 8.531 8.370 -0.145 0.000 0.511 50 Y N 4.365 124.642 120.300 -0.039 0.000 2.632 50 Y HA -0.154 4.374 4.550 -0.037 0.000 0.301 50 Y C 0.159 176.032 175.900 -0.044 0.000 1.172 50 Y CA 0.293 58.371 58.100 -0.038 0.000 1.328 50 Y CB -0.219 38.222 38.460 -0.033 0.000 1.016 50 Y HN 0.002 8.479 8.280 0.327 0.000 0.529 51 G N -1.252 107.592 108.800 0.072 0.000 2.681 51 G HA2 -0.330 3.713 3.960 0.005 0.000 0.220 51 G HA3 -0.330 3.632 3.960 0.002 0.000 0.220 51 G C -2.347 172.560 174.900 0.012 0.000 1.353 51 G CA -0.660 44.452 45.100 0.019 0.000 0.872 51 G HN -0.405 8.104 8.290 0.071 -0.177 0.557 52 D N 0.304 120.691 120.400 -0.021 0.000 2.193 52 D HA 0.226 5.023 4.640 -0.024 -0.171 0.244 52 D C 0.823 177.040 176.300 -0.139 0.000 1.064 52 D CA -0.605 53.367 54.000 -0.047 0.000 0.845 52 D CB 0.845 41.630 40.800 -0.025 0.000 1.148 52 D HN -0.031 8.324 8.370 -0.026 0.000 0.464 53 L N 3.652 124.728 121.223 -0.245 0.000 2.499 53 L HA 0.182 4.305 4.340 -0.362 0.000 0.273 53 L C -1.452 174.981 176.870 -0.729 0.000 1.195 53 L CA -1.305 53.227 54.840 -0.515 0.000 0.882 53 L CB -0.382 41.214 42.059 -0.772 0.000 1.133 53 L HN -0.038 8.086 8.230 -0.178 0.000 0.483 54 P HA 0.068 4.311 4.420 -0.295 0.000 0.291 54 P C -1.640 175.418 177.300 -0.403 0.000 1.340 54 P CA -0.699 62.175 63.100 -0.376 0.000 0.799 54 P CB 0.032 31.621 31.700 -0.186 0.000 0.917 55 F N 5.510 125.478 119.950 0.030 0.000 2.350 55 F HA 0.076 4.601 4.527 -0.003 0.000 0.365 55 F C 0.538 176.367 175.800 0.048 0.000 1.122 55 F CA -1.677 56.348 58.000 0.041 0.000 1.139 55 F CB -0.260 38.822 39.000 0.136 0.000 1.220 55 F HN -0.172 8.030 8.300 -0.162 0.000 0.499 56 A N 7.073 129.998 122.820 0.176 0.000 2.477 56 A HA -0.083 4.292 4.320 0.090 0.000 0.246 56 A C -0.538 177.120 177.584 0.123 0.000 1.078 56 A CA -0.048 52.054 52.037 0.109 0.000 0.770 56 A CB 0.517 19.551 19.000 0.058 0.000 1.011 56 A HN 0.198 8.442 8.150 0.157 0.000 0.494 57 D N -0.495 119.963 120.400 0.095 0.000 2.443 57 D HA -0.067 4.635 4.640 0.103 0.000 0.239 57 D C -0.612 175.728 176.300 0.066 0.000 1.136 57 D CA 0.583 54.633 54.000 0.084 0.000 0.879 57 D CB 0.700 41.535 40.800 0.059 0.000 1.195 57 D HN 0.052 8.471 8.370 0.082 0.000 0.443 58 I N 4.964 125.574 120.570 0.067 0.000 2.412 58 I HA 0.276 4.472 4.170 0.044 0.000 0.279 58 I C -0.688 175.457 176.117 0.046 0.000 1.063 58 I CA -3.045 58.286 61.300 0.052 0.000 1.193 58 I CB 0.608 38.639 38.000 0.051 0.000 1.370 58 I HN 0.355 8.612 8.210 0.078 0.000 0.479 59 P HA -0.051 4.388 4.420 0.032 0.000 0.219 59 P C -0.260 177.059 177.300 0.033 0.000 1.150 59 P CA 1.192 64.311 63.100 0.032 0.000 0.814 59 P CB 0.404 32.120 31.700 0.027 0.000 0.787 60 N N -0.405 118.316 118.700 0.034 0.000 2.699 60 N HA 0.006 4.768 4.740 0.036 0.000 0.232 60 N C -1.584 173.954 175.510 0.046 0.000 1.027 60 N CA -0.515 52.557 53.050 0.037 0.000 0.920 60 N CB -0.274 38.233 38.487 0.033 0.000 1.148 60 N HN -0.297 8.103 8.380 0.034 0.000 0.509 61 D N 4.814 125.245 120.400 0.052 0.000 2.400 61 D HA 0.081 4.762 4.640 0.069 0.000 0.272 61 D C -0.906 175.439 176.300 0.076 0.000 1.220 61 D CA -0.793 53.247 54.000 0.067 0.000 0.897 61 D CB 0.974 41.815 40.800 0.068 0.000 1.134 61 D HN -0.156 8.243 8.370 0.048 0.000 0.507 62 S N 3.319 119.067 115.700 0.080 0.000 2.580 62 S HA 0.249 4.761 4.470 0.070 0.000 0.274 62 S C -0.961 173.708 174.600 0.115 0.000 1.329 62 S CA -2.279 55.971 58.200 0.083 0.000 1.036 62 S CB 0.660 63.904 63.200 0.073 0.000 0.919 62 S HN 0.002 8.359 8.310 0.079 0.000 0.515 63 P HA 0.092 4.726 4.420 0.160 -0.119 0.271 63 P C -1.339 176.072 177.300 0.185 0.000 1.233 63 P CA -0.093 63.087 63.100 0.134 0.000 0.789 63 P CB 0.444 32.192 31.700 0.080 0.000 0.951 64 F N 3.483 123.481 119.950 0.081 0.000 2.308 64 F HA 0.193 4.761 4.527 0.068 0.000 0.370 64 F C -1.075 174.758 175.800 0.056 0.000 1.100 64 F CA -1.516 56.530 58.000 0.076 0.000 1.108 64 F CB 1.681 40.743 39.000 0.104 0.000 1.293 64 F HN -0.087 8.410 8.300 0.328 0.000 0.478 65 Q N 5.921 125.408 119.800 -0.522 0.000 2.049 65 Q HA -0.483 3.684 4.340 -0.288 0.000 0.409 65 Q C -0.647 175.272 176.000 -0.135 0.000 0.726 65 Q CA 2.138 57.719 55.803 -0.370 0.000 0.896 65 Q CB -1.789 26.622 28.738 -0.545 0.000 3.134 65 Q HN 0.614 8.589 8.270 -0.491 0.000 0.836 66 I N -5.816 114.707 120.570 -0.078 0.000 3.793 66 I HA 0.137 4.305 4.170 -0.004 0.000 0.315 66 I C -0.166 175.987 176.117 0.060 0.000 1.275 66 I CA 0.008 61.306 61.300 -0.003 0.000 1.214 66 I CB 0.656 38.653 38.000 -0.004 0.000 1.018 66 I HN 0.020 8.167 8.210 -0.105 0.000 0.439 67 V N 4.596 124.582 119.914 0.119 0.000 2.470 67 V HA -0.123 4.275 4.120 0.163 -0.180 0.276 67 V C -0.669 175.539 176.094 0.190 0.000 1.040 67 V CA -0.226 62.191 62.300 0.196 0.000 1.008 67 V CB -1.139 30.885 31.823 0.335 0.000 0.990 67 V HN -0.332 7.859 8.190 0.105 0.063 0.477 68 K N 8.876 129.366 120.400 0.150 0.000 2.110 68 K HA 0.122 4.513 4.320 0.119 0.000 0.263 68 K C -0.719 175.965 176.600 0.141 0.000 0.975 68 K CA -0.395 55.965 56.287 0.122 0.000 0.895 68 K CB 1.022 33.566 32.500 0.073 0.000 1.060 68 K HN 0.086 8.420 8.250 0.141 0.000 0.448 69 N N -1.689 117.084 118.700 0.123 0.000 2.714 69 N HA -0.294 4.647 4.740 0.113 -0.134 0.252 69 N C -1.123 174.495 175.510 0.180 0.000 1.014 69 N CA 0.768 53.896 53.050 0.130 0.000 0.735 69 N CB -2.482 36.065 38.487 0.100 0.000 0.924 69 N HN 0.749 9.192 8.380 0.106 0.000 0.540 70 P HA -0.241 4.423 4.420 0.407 0.000 0.215 70 P C 1.422 178.807 177.300 0.143 0.000 1.157 70 P CA 2.937 66.219 63.100 0.304 0.000 0.863 70 P CB 0.213 32.116 31.700 0.339 0.000 0.787 71 R N -2.614 117.933 120.500 0.079 0.000 2.092 71 R HA -0.276 4.019 4.340 -0.075 0.000 0.231 71 R C 2.700 178.966 176.300 -0.055 0.000 1.119 71 R CA 3.559 59.649 56.100 -0.016 0.000 0.970 71 R CB -0.430 29.885 30.300 0.025 0.000 0.864 71 R HN -0.247 8.353 8.270 0.112 -0.263 0.440 72 S N 0.455 116.177 115.700 0.035 0.000 2.355 72 S HA -0.249 4.250 4.470 0.049 0.000 0.222 72 S C 1.577 176.174 174.600 -0.004 0.000 1.031 72 S CA 4.299 62.550 58.200 0.086 0.000 0.993 72 S CB -0.350 62.976 63.200 0.210 0.000 0.859 72 S HN -0.470 8.109 8.310 0.075 -0.224 0.453 73 V N 1.826 121.790 119.914 0.083 0.000 2.358 73 V HA -0.354 3.693 4.120 -0.122 0.000 0.246 73 V C 2.116 178.019 176.094 -0.320 0.000 1.047 73 V CA 3.546 65.838 62.300 -0.013 0.000 1.035 73 V CB -0.816 31.166 31.823 0.266 0.000 0.658 73 V HN -0.254 8.022 8.190 0.145 0.000 0.452 74 G N -1.214 107.230 108.800 -0.593 0.000 2.418 74 G HA2 -0.382 2.875 3.960 -1.172 0.000 0.217 74 G HA3 -0.382 2.923 3.960 -1.327 -0.141 0.217 74 G C 0.852 175.500 174.900 -0.420 0.000 1.158 74 G CA 2.238 46.762 45.100 -0.959 0.000 0.771 74 G HN 0.141 8.135 8.290 -0.493 0.000 0.545 75 K N 2.908 123.088 120.400 -0.366 0.000 2.057 75 K HA -0.157 3.937 4.320 -0.377 0.000 0.206 75 K C 1.844 178.230 176.600 -0.356 0.000 1.050 75 K CA 1.840 57.929 56.287 -0.329 0.000 0.935 75 K CB -0.259 32.126 32.500 -0.191 0.000 0.715 75 K HN -0.168 7.883 8.250 -0.332 0.000 0.439 76 A N -1.304 121.226 122.820 -0.484 0.000 1.933 76 A HA -0.125 4.016 4.320 -0.298 0.000 0.218 76 A C 2.333 179.662 177.584 -0.425 0.000 1.175 76 A CA 2.907 54.551 52.037 -0.655 0.000 0.628 76 A CB -0.868 17.068 19.000 -1.773 0.000 0.814 76 A HN -0.267 7.566 8.150 -0.530 0.000 0.444 77 S N -1.482 113.997 115.700 -0.368 0.000 2.395 77 S HA -0.303 4.104 4.470 -0.106 0.000 0.225 77 S C 1.700 176.091 174.600 -0.348 0.000 1.027 77 S CA 4.393 62.517 58.200 -0.127 0.000 0.965 77 S CB -0.156 63.151 63.200 0.178 0.000 0.812 77 S HN -0.447 7.613 8.310 -0.396 0.012 0.482 78 E N 2.371 122.034 120.200 -0.894 0.000 2.049 78 E HA -0.498 2.355 4.350 -2.495 0.000 0.198 78 E C 1.912 178.100 176.600 -0.688 0.000 1.007 78 E CA 3.364 58.846 56.400 -1.530 0.000 0.809 78 E CB -0.191 28.603 29.700 -1.511 0.000 0.749 78 E HN -0.460 7.479 8.360 -0.702 0.000 0.450 79 Q N -1.120 118.448 119.800 -0.387 0.000 2.084 79 Q HA -0.286 3.937 4.340 -0.194 0.000 0.202 79 Q C 2.695 178.635 176.000 -0.099 0.000 0.978 79 Q CA 2.889 58.587 55.803 -0.175 0.000 0.844 79 Q CB 0.125 28.846 28.738 -0.028 0.000 0.898 79 Q HN -0.381 7.659 8.270 -0.383 0.000 0.426 80 L N -0.705 120.489 121.223 -0.048 0.000 2.093 80 L HA -0.298 4.065 4.340 0.039 0.000 0.208 80 L C 1.302 178.167 176.870 -0.008 0.000 1.085 80 L CA 2.683 57.534 54.840 0.018 0.000 0.755 80 L CB -0.562 41.540 42.059 0.070 0.000 0.904 80 L HN -0.284 7.903 8.230 -0.072 0.000 0.435 81 A N -1.436 121.355 122.820 -0.048 0.000 1.902 81 A HA -0.149 4.376 4.320 0.088 -0.152 0.217 81 A C 2.312 179.891 177.584 -0.010 0.000 1.181 81 A CA 3.048 55.098 52.037 0.021 0.000 0.623 81 A CB -0.765 18.278 19.000 0.072 0.000 0.818 81 A HN 0.299 8.373 8.150 -0.128 0.000 0.443 82 G N -2.672 106.080 108.800 -0.079 0.000 2.408 82 G HA2 -0.365 3.573 3.960 -0.036 0.000 0.217 82 G HA3 -0.365 3.546 3.960 -0.080 0.000 0.217 82 G C 1.235 176.104 174.900 -0.052 0.000 1.150 82 G CA 1.761 46.825 45.100 -0.060 0.000 0.776 82 G HN -0.377 7.832 8.290 -0.136 0.000 0.542 83 K N 1.846 122.208 120.400 -0.063 0.000 2.031 83 K HA -0.143 4.121 4.320 -0.093 0.000 0.205 83 K C 2.170 178.693 176.600 -0.128 0.000 1.049 83 K CA 2.445 58.677 56.287 -0.091 0.000 0.939 83 K CB -0.072 32.380 32.500 -0.079 0.000 0.717 83 K HN -0.743 7.384 8.250 -0.061 0.087 0.438 84 V N -0.345 119.528 119.914 -0.068 0.000 2.282 84 V HA -0.557 3.501 4.120 -0.103 0.000 0.249 84 V C 1.764 177.837 176.094 -0.035 0.000 1.057 84 V CA 4.499 66.769 62.300 -0.050 0.000 1.032 84 V CB -0.771 31.076 31.823 0.041 0.000 0.645 84 V HN -0.091 8.077 8.190 -0.037 0.000 0.447 85 A N -1.227 121.597 122.820 0.007 0.000 1.940 85 A HA -0.301 4.056 4.320 0.062 0.000 0.219 85 A C 1.970 179.547 177.584 -0.012 0.000 1.176 85 A CA 3.081 55.135 52.037 0.027 0.000 0.631 85 A CB -0.653 18.370 19.000 0.038 0.000 0.814 85 A HN -0.298 7.860 8.150 0.013 0.000 0.446 86 E N -1.221 118.947 120.200 -0.054 0.000 2.106 86 E HA -0.236 4.102 4.350 -0.020 0.000 0.192 86 E C 2.223 178.764 176.600 -0.099 0.000 0.984 86 E CA 3.011 59.377 56.400 -0.057 0.000 0.806 86 E CB 0.144 29.811 29.700 -0.055 0.000 0.750 86 E HN -0.634 7.600 8.360 -0.064 0.087 0.458 87 V N -3.212 116.555 119.914 -0.245 0.000 2.427 87 V HA -0.196 3.743 4.120 -0.301 0.000 0.248 87 V C 1.703 177.747 176.094 -0.084 0.000 1.051 87 V CA 3.355 65.471 62.300 -0.307 0.000 1.048 87 V CB -0.833 30.672 31.823 -0.530 0.000 0.666 87 V HN -0.147 7.883 8.190 -0.266 0.000 0.456 88 K N -0.187 120.193 120.400 -0.033 0.000 2.097 88 K HA -0.095 4.421 4.320 0.066 -0.157 0.205 88 K C 3.319 179.966 176.600 0.079 0.000 1.050 88 K CA 1.936 58.264 56.287 0.068 0.000 0.938 88 K CB -0.849 31.751 32.500 0.167 0.000 0.718 88 K HN 0.071 8.292 8.250 -0.048 0.000 0.442 89 K N -0.750 119.673 120.400 0.039 0.000 2.103 89 K HA -0.284 4.054 4.320 0.030 0.000 0.207 89 K C 1.848 178.478 176.600 0.050 0.000 1.048 89 K CA 2.584 58.892 56.287 0.034 0.000 0.930 89 K CB -0.410 32.102 32.500 0.021 0.000 0.716 89 K HN -0.239 7.934 8.250 0.020 0.090 0.444 90 N N -3.171 115.565 118.700 0.059 0.000 2.515 90 N HA -0.046 4.738 4.740 0.074 0.000 0.191 90 N C -0.265 175.293 175.510 0.080 0.000 1.182 90 N CA 0.117 53.217 53.050 0.083 0.000 0.879 90 N CB 0.312 38.885 38.487 0.144 0.000 0.984 90 N HN -0.518 7.787 8.380 0.045 0.103 0.453 91 G N -1.099 107.749 108.800 0.080 0.000 2.221 91 G HA2 -0.527 3.547 3.960 0.109 0.000 0.265 91 G HA3 -0.527 3.480 3.960 0.078 0.000 0.265 91 G C -1.435 173.510 174.900 0.076 0.000 1.041 91 G CA 0.685 45.837 45.100 0.087 0.000 0.807 91 G HN 0.248 8.363 8.290 0.080 0.223 0.502 92 R N -3.479 117.061 120.500 0.067 0.000 2.888 92 R HA 0.361 4.735 4.340 0.057 0.000 0.266 92 R C -0.617 175.698 176.300 0.025 0.000 1.020 92 R CA -2.608 53.524 56.100 0.053 0.000 0.963 92 R CB 3.382 33.724 30.300 0.069 0.000 1.197 92 R HN -0.858 7.450 8.270 0.063 0.000 0.481 93 I N 2.947 123.541 120.570 0.039 0.000 2.396 93 I HA 0.072 4.402 4.170 -0.018 -0.170 0.289 93 I C -0.184 175.937 176.117 0.007 0.000 1.056 93 I CA 0.402 61.726 61.300 0.039 0.000 1.365 93 I CB 0.350 38.464 38.000 0.190 0.000 1.407 93 I HN 0.342 8.585 8.210 0.055 0.000 0.509 94 S N 7.898 123.560 115.700 -0.064 0.000 2.510 94 S HA 0.127 4.708 4.470 -0.073 -0.155 0.279 94 S C -1.030 173.564 174.600 -0.010 0.000 1.284 94 S CA -0.237 57.922 58.200 -0.068 0.000 1.059 94 S CB 0.494 63.630 63.200 -0.106 0.000 0.901 94 S HN 0.039 8.277 8.310 -0.120 0.000 0.491 95 L N 7.229 128.457 121.223 0.009 0.000 2.324 95 L HA 0.462 4.991 4.340 0.061 -0.152 0.274 95 L C -2.204 174.684 176.870 0.031 0.000 1.012 95 L CA -1.366 53.500 54.840 0.043 0.000 0.859 95 L CB 2.032 44.113 42.059 0.037 0.000 1.224 95 L HN 0.354 8.578 8.230 -0.010 0.000 0.429 96 V N 6.477 126.416 119.914 0.041 0.000 2.385 96 V HA 0.268 4.596 4.120 0.060 -0.172 0.269 96 V C -1.051 175.078 176.094 0.059 0.000 1.043 96 V CA -1.355 60.983 62.300 0.062 0.000 0.906 96 V CB 0.101 31.981 31.823 0.095 0.000 0.995 96 V HN 0.691 8.903 8.190 0.036 0.000 0.467 97 L N 7.434 128.694 121.223 0.063 0.000 2.260 97 L HA 0.378 4.744 4.340 0.044 0.000 0.289 97 L C -0.294 176.628 176.870 0.087 0.000 1.057 97 L CA -0.964 53.912 54.840 0.059 0.000 0.811 97 L CB -0.368 41.720 42.059 0.048 0.000 1.184 97 L HN 0.182 8.451 8.230 0.065 0.000 0.429 98 G N 1.150 109.997 108.800 0.078 0.000 2.531 98 G HA2 0.631 4.809 3.960 0.142 0.000 0.313 98 G HA3 0.631 4.648 3.960 0.094 0.000 0.313 98 G C -1.330 173.628 174.900 0.096 0.000 1.238 98 G CA -1.560 43.603 45.100 0.106 0.000 0.994 98 G HN 0.435 8.758 8.290 0.054 0.000 0.493 99 G N -0.922 107.943 108.800 0.107 0.000 2.719 99 G HA2 -0.408 3.828 3.960 0.149 0.000 0.686 99 G HA3 -0.408 3.777 3.960 0.182 -0.115 0.686 99 G C -1.762 173.221 174.900 0.139 0.000 1.201 99 G CA -0.656 44.533 45.100 0.148 0.000 0.768 99 G HN -0.324 8.020 8.290 0.090 0.000 0.629 100 D N 1.669 122.172 120.400 0.171 0.000 2.358 100 D HA -0.017 4.812 4.640 0.193 -0.074 0.244 100 D C -0.078 176.406 176.300 0.307 0.000 1.163 100 D CA -1.337 52.791 54.000 0.215 0.000 0.945 100 D CB 1.235 42.133 40.800 0.163 0.000 1.152 100 D HN -0.417 8.059 8.370 0.177 0.000 0.451 101 H N -0.384 118.849 119.070 0.271 0.000 2.561 101 H HA -0.263 4.411 4.556 0.197 0.000 0.278 101 H C 1.725 177.228 175.328 0.292 0.000 1.014 101 H CA 1.456 57.655 56.048 0.253 0.000 1.211 101 H CB 0.273 30.189 29.762 0.258 0.000 1.365 101 H HN 0.201 9.106 8.280 0.463 -0.347 0.594 102 S N 1.032 116.985 115.700 0.422 0.000 2.419 102 S HA -0.257 4.385 4.470 0.286 0.000 0.235 102 S C 1.492 176.242 174.600 0.249 0.000 1.019 102 S CA 3.829 62.216 58.200 0.311 0.000 0.982 102 S CB -0.558 62.820 63.200 0.296 0.000 0.789 102 S HN -0.031 8.776 8.310 0.437 -0.235 0.490 103 L N 1.723 123.090 121.223 0.241 0.000 2.349 103 L HA -0.126 4.258 4.340 0.073 0.000 0.220 103 L C 1.578 178.585 176.870 0.227 0.000 1.130 103 L CA 2.281 57.219 54.840 0.164 0.000 0.791 103 L CB -1.126 41.024 42.059 0.152 0.000 0.918 103 L HN -0.660 7.703 8.230 0.284 0.037 0.444 104 A N -0.221 122.790 122.820 0.319 0.000 2.070 104 A HA -0.265 4.231 4.320 0.293 0.000 0.220 104 A C 1.821 179.559 177.584 0.257 0.000 1.159 104 A CA 2.671 54.899 52.037 0.319 0.000 0.656 104 A CB -0.894 18.358 19.000 0.420 0.000 0.800 104 A HN -0.431 7.895 8.150 0.377 0.051 0.453 105 I N -2.553 118.158 120.570 0.236 0.000 2.127 105 I HA -0.545 3.730 4.170 0.176 0.000 0.241 105 I C 1.869 178.151 176.117 0.276 0.000 1.075 105 I CA 4.024 65.449 61.300 0.208 0.000 1.334 105 I CB -0.440 37.661 38.000 0.168 0.000 1.040 105 I HN -0.340 7.992 8.210 0.236 0.021 0.405 106 G N -2.392 106.586 108.800 0.296 0.000 2.394 106 G HA2 -0.346 3.921 3.960 0.472 0.000 0.214 106 G HA3 -0.346 3.845 3.960 0.200 -0.111 0.214 106 G C 1.134 176.165 174.900 0.219 0.000 1.176 106 G CA 1.817 47.096 45.100 0.299 0.000 0.786 106 G HN -0.592 7.846 8.290 0.246 0.000 0.533 107 S N 2.469 118.287 115.700 0.196 0.000 2.351 107 S HA -0.382 4.206 4.470 0.196 0.000 0.220 107 S C 2.084 176.788 174.600 0.173 0.000 1.035 107 S CA 3.510 61.836 58.200 0.210 0.000 1.031 107 S CB 0.040 63.407 63.200 0.278 0.000 0.928 107 S HN -0.279 8.151 8.310 0.200 0.000 0.433 108 I N 0.440 121.035 120.570 0.042 0.000 2.315 108 I HA -0.396 3.668 4.170 -0.177 0.000 0.248 108 I C 1.701 177.864 176.117 0.076 0.000 1.117 108 I CA 3.665 64.917 61.300 -0.080 0.000 1.404 108 I CB -0.080 37.825 38.000 -0.158 0.000 1.071 108 I HN -0.277 7.976 8.210 0.073 0.000 0.419 109 S N 0.940 116.725 115.700 0.141 0.000 2.359 109 S HA -0.316 4.227 4.470 0.121 0.000 0.224 109 S C 2.341 177.058 174.600 0.195 0.000 1.035 109 S CA 4.171 62.477 58.200 0.176 0.000 1.018 109 S CB -0.514 62.859 63.200 0.289 0.000 0.876 109 S HN -0.264 8.142 8.310 0.160 0.000 0.448 110 G N 0.001 108.926 108.800 0.208 0.000 2.418 110 G HA2 -0.326 3.729 3.960 0.157 0.000 0.217 110 G HA3 -0.326 3.830 3.960 0.151 -0.105 0.217 110 G C 0.659 175.689 174.900 0.216 0.000 1.158 110 G CA 1.899 47.104 45.100 0.175 0.000 0.771 110 G HN -0.326 8.094 8.290 0.216 0.000 0.545 111 H N 3.089 122.234 119.070 0.125 0.000 2.353 111 H HA -0.378 4.284 4.556 0.177 0.000 0.300 111 H C 1.482 176.904 175.328 0.157 0.000 1.090 111 H CA 2.270 58.415 56.048 0.162 0.000 1.327 111 H CB 0.278 30.160 29.762 0.200 0.000 1.383 111 H HN -0.416 8.052 8.280 0.313 0.000 0.508 112 A N -2.587 120.315 122.820 0.136 0.000 2.067 112 A HA -0.130 4.309 4.320 -0.020 -0.131 0.219 112 A C 1.796 179.416 177.584 0.059 0.000 1.158 112 A CA 2.047 54.105 52.037 0.036 0.000 0.661 112 A CB -0.623 18.385 19.000 0.013 0.000 0.801 112 A HN -0.205 8.038 8.150 0.154 0.000 0.452 113 R N -2.633 117.921 120.500 0.091 0.000 2.105 113 R HA -0.292 4.080 4.340 0.053 0.000 0.239 113 R C 1.284 177.598 176.300 0.023 0.000 1.135 113 R CA 2.947 59.086 56.100 0.064 0.000 0.967 113 R CB 0.125 30.474 30.300 0.082 0.000 0.861 113 R HN -0.575 7.729 8.270 0.122 0.040 0.442 114 V N -3.641 116.289 119.914 0.028 0.000 2.949 114 V HA -0.081 3.962 4.120 -0.128 0.000 0.245 114 V C 0.352 176.233 176.094 -0.355 0.000 1.086 114 V CA 1.855 64.084 62.300 -0.119 0.000 1.097 114 V CB 1.298 33.082 31.823 -0.065 0.000 0.762 114 V HN -0.678 7.548 8.190 0.099 0.023 0.470 115 H N -1.097 118.006 119.070 0.056 0.000 2.569 115 H HA 0.499 5.062 4.556 0.011 0.000 0.247 115 H C -1.537 173.749 175.328 -0.070 0.000 1.346 115 H CA -2.590 53.456 56.048 -0.005 0.000 1.502 115 H CB 1.362 31.122 29.762 -0.005 0.000 1.512 115 H HN -0.287 8.067 8.280 0.123 0.000 0.502 116 P HA -0.045 4.459 4.420 -0.004 -0.086 0.230 116 P C -0.335 176.962 177.300 -0.005 0.000 1.158 116 P CA 0.870 63.972 63.100 0.002 0.000 0.769 116 P CB 0.224 31.924 31.700 -0.001 0.000 0.807 117 D N -5.127 115.280 120.400 0.011 0.000 2.340 117 D HA -0.029 4.606 4.640 -0.008 0.000 0.220 117 D C -0.567 175.722 176.300 -0.018 0.000 1.039 117 D CA -0.820 53.180 54.000 0.001 0.000 0.866 117 D CB -0.467 40.343 40.800 0.018 0.000 0.913 117 D HN 0.219 8.546 8.370 0.036 0.064 0.523 118 L N -1.303 119.888 121.223 -0.052 0.000 2.483 118 L HA 0.295 4.758 4.340 -0.072 -0.166 0.275 118 L C 0.376 177.225 176.870 -0.035 0.000 1.220 118 L CA 0.589 55.375 54.840 -0.091 0.000 0.833 118 L CB 0.076 41.970 42.059 -0.276 0.000 1.102 118 L HN -0.861 7.256 8.230 -0.057 0.079 0.490 119 G N -0.147 108.656 108.800 0.004 0.000 2.448 119 G HA2 0.505 4.611 3.960 0.034 0.000 0.324 119 G HA3 0.505 4.492 3.960 0.045 0.000 0.324 119 G C -2.098 172.862 174.900 0.100 0.000 1.203 119 G CA -0.954 44.172 45.100 0.043 0.000 0.954 119 G HN 0.194 8.487 8.290 0.004 0.000 0.480 120 V N 2.486 122.469 119.914 0.115 0.000 2.495 120 V HA 0.800 5.265 4.120 0.238 -0.202 0.298 120 V C -1.275 174.921 176.094 0.171 0.000 1.031 120 V CA -2.153 60.255 62.300 0.181 0.000 0.871 120 V CB 2.465 34.394 31.823 0.176 0.000 0.988 120 V HN 0.283 8.529 8.190 0.093 0.000 0.432 121 I N 5.037 125.725 120.570 0.196 0.000 2.362 121 I HA 0.473 4.921 4.170 0.163 -0.180 0.289 121 I C -1.803 174.450 176.117 0.226 0.000 0.994 121 I CA -1.089 60.316 61.300 0.174 0.000 1.158 121 I CB 2.591 40.664 38.000 0.121 0.000 1.315 121 I HN 0.631 8.969 8.210 0.214 0.000 0.451 122 W N 8.853 130.166 121.300 0.021 0.000 2.338 122 W HA 0.509 5.399 4.660 0.119 -0.159 0.315 122 W C -2.275 174.307 176.519 0.105 0.000 1.005 122 W CA -1.846 55.539 57.345 0.066 0.000 1.380 122 W CB 2.235 31.656 29.460 -0.065 0.000 1.235 122 W HN 0.710 9.055 8.180 0.276 0.000 0.409 123 V N 9.833 129.712 119.914 -0.058 0.000 2.364 123 V HA 0.635 4.963 4.120 -0.030 -0.225 0.272 123 V C -1.928 174.051 176.094 -0.192 0.000 1.036 123 V CA -0.592 61.579 62.300 -0.216 0.000 0.880 123 V CB 0.486 31.894 31.823 -0.693 0.000 0.991 123 V HN 0.277 8.336 8.190 -0.219 0.000 0.460 124 D N 6.773 127.194 120.400 0.035 0.000 2.722 124 D HA 0.244 4.911 4.640 0.045 0.000 0.231 124 D C -1.671 174.664 176.300 0.059 0.000 1.218 124 D CA -0.438 53.641 54.000 0.132 0.000 0.753 124 D CB 4.075 45.147 40.800 0.453 0.000 1.471 124 D HN -0.114 8.298 8.370 0.069 0.000 0.455 125 A N 0.214 122.988 122.820 -0.076 0.000 2.121 125 A HA -0.095 4.306 4.320 -0.186 -0.192 0.218 125 A C -0.565 176.746 177.584 -0.455 0.000 1.154 125 A CA 1.511 53.361 52.037 -0.311 0.000 0.679 125 A CB 0.859 19.561 19.000 -0.497 0.000 0.795 125 A HN 0.085 8.389 8.150 -0.038 -0.177 0.458 126 H N -4.262 114.848 119.070 0.067 0.000 2.622 126 H HA 0.370 4.894 4.556 -0.054 0.000 0.363 126 H C 0.244 175.546 175.328 -0.043 0.000 1.151 126 H CA -1.795 54.256 56.048 0.005 0.000 1.184 126 H CB 3.240 33.023 29.762 0.035 0.000 1.643 126 H HN -0.637 7.869 8.280 0.046 -0.198 0.531 127 T N -2.349 112.122 114.554 -0.137 0.000 3.067 127 T HA -0.248 3.621 4.350 -0.801 0.000 0.261 127 T C 0.340 174.894 174.700 -0.244 0.000 1.110 127 T CA 1.385 63.206 62.100 -0.466 0.000 1.113 127 T CB 0.309 68.814 68.868 -0.605 0.000 0.917 127 T HN 0.384 8.560 8.240 -0.108 0.000 0.499 128 D N -1.025 119.330 120.400 -0.076 0.000 2.751 128 D HA -0.344 4.398 4.640 -0.042 -0.127 0.233 128 D C -1.458 174.757 176.300 -0.141 0.000 1.149 128 D CA 1.477 55.431 54.000 -0.076 0.000 0.682 128 D CB -2.406 38.407 40.800 0.023 0.000 1.068 128 D HN -0.129 8.262 8.370 -0.015 -0.030 0.429 129 I N -4.233 116.264 120.570 -0.121 0.000 4.050 129 I HA 0.031 4.135 4.170 -0.111 0.000 0.327 129 I C -1.510 174.567 176.117 -0.066 0.000 1.473 129 I CA -1.263 59.974 61.300 -0.105 0.000 1.124 129 I CB 0.863 38.799 38.000 -0.107 0.000 1.129 129 I HN -0.374 8.064 8.210 -0.113 -0.296 0.428 130 N N 1.901 120.577 118.700 -0.040 0.000 2.395 130 N HA 0.008 4.732 4.740 -0.026 0.000 0.246 130 N C 0.045 175.540 175.510 -0.026 0.000 1.246 130 N CA 1.793 54.830 53.050 -0.021 0.000 0.879 130 N CB 0.820 39.309 38.487 0.004 0.000 1.098 130 N HN -0.738 7.725 8.380 -0.040 -0.107 0.444 131 T N -2.049 112.475 114.554 -0.050 0.000 2.912 131 T HA 0.655 4.907 4.350 -0.164 0.000 0.280 131 T C -0.755 173.922 174.700 -0.038 0.000 0.989 131 T CA -3.123 58.912 62.100 -0.108 0.000 0.995 131 T CB 0.543 69.325 68.868 -0.143 0.000 1.077 131 T HN 0.084 8.300 8.240 -0.040 0.000 0.531 132 P HA -0.078 4.568 4.420 0.146 -0.139 0.221 132 P C -0.828 176.545 177.300 0.122 0.000 1.145 132 P CA 2.023 65.186 63.100 0.105 0.000 0.795 132 P CB 0.093 31.870 31.700 0.128 0.000 0.775 133 L N -7.922 113.334 121.223 0.055 0.000 2.529 133 L HA 0.103 4.460 4.340 0.028 0.000 0.223 133 L C 1.386 178.252 176.870 -0.006 0.000 1.113 133 L CA 0.540 55.394 54.840 0.023 0.000 0.861 133 L CB -0.217 41.846 42.059 0.008 0.000 1.012 133 L HN -0.567 7.644 8.230 0.018 0.029 0.461 134 T N -4.672 109.876 114.554 -0.010 0.000 3.015 134 T HA -0.019 4.316 4.350 -0.025 0.000 0.250 134 T C 0.885 175.583 174.700 -0.003 0.000 1.057 134 T CA 0.139 62.229 62.100 -0.017 0.000 1.066 134 T CB 1.058 69.913 68.868 -0.022 0.000 0.959 134 T HN -0.648 7.586 8.240 -0.010 0.000 0.488 135 T N 3.646 118.210 114.554 0.016 0.000 2.940 135 T HA -0.128 4.236 4.350 0.023 0.000 0.309 135 T C 0.463 175.176 174.700 0.022 0.000 1.056 135 T CA 0.627 62.744 62.100 0.029 0.000 1.137 135 T CB 1.055 69.959 68.868 0.060 0.000 0.976 135 T HN -0.606 7.646 8.240 0.021 0.000 0.547 136 T N 3.232 117.798 114.554 0.020 0.000 3.015 136 T HA 0.149 4.505 4.350 0.009 0.000 0.250 136 T C 0.845 175.559 174.700 0.024 0.000 1.057 136 T CA 0.764 62.873 62.100 0.014 0.000 1.066 136 T CB 0.705 69.577 68.868 0.007 0.000 0.959 136 T HN 0.438 8.691 8.240 0.021 0.000 0.488 137 S N 1.604 117.327 115.700 0.038 0.000 2.458 137 S HA -0.011 4.481 4.470 0.037 0.000 0.223 137 S C 1.225 175.859 174.600 0.057 0.000 1.019 137 S CA 0.486 58.714 58.200 0.047 0.000 0.937 137 S CB 0.358 63.596 63.200 0.064 0.000 0.788 137 S HN -0.423 7.911 8.310 0.040 0.000 0.511 138 G N 1.492 110.334 108.800 0.070 0.000 2.168 138 G HA2 -0.492 3.529 3.960 0.102 0.000 0.257 138 G HA3 -0.492 3.757 3.960 0.080 -0.241 0.257 138 G C -1.487 173.481 174.900 0.113 0.000 0.997 138 G CA 0.660 45.815 45.100 0.091 0.000 0.708 138 G HN -0.233 8.097 8.290 0.067 0.000 0.520 139 N N 0.495 119.272 118.700 0.128 0.000 2.420 139 N HA 0.234 5.035 4.740 0.101 0.000 0.249 139 N C -0.100 175.556 175.510 0.242 0.000 1.033 139 N CA -1.234 51.908 53.050 0.153 0.000 0.944 139 N CB 0.423 39.005 38.487 0.159 0.000 1.113 139 N HN -0.738 7.668 8.380 0.127 0.051 0.502 140 L N 3.528 124.879 121.223 0.214 0.000 2.465 140 L HA -0.179 4.279 4.340 0.197 0.000 0.224 140 L C 1.262 178.303 176.870 0.284 0.000 1.145 140 L CA 2.036 57.006 54.840 0.217 0.000 0.834 140 L CB -0.255 41.918 42.059 0.190 0.000 0.944 140 L HN 0.733 9.067 8.230 0.173 0.000 0.451 141 H N -2.902 116.253 119.070 0.142 0.000 2.545 141 H HA -0.188 4.573 4.556 0.214 -0.077 0.282 141 H C 0.677 176.101 175.328 0.159 0.000 1.020 141 H CA 0.961 57.118 56.048 0.181 0.000 1.243 141 H CB -0.123 29.750 29.762 0.185 0.000 1.377 141 H HN -0.393 8.115 8.280 0.450 0.042 0.581 142 G N -3.083 105.777 108.800 0.099 0.000 3.337 142 G HA2 0.193 4.086 3.960 -0.112 0.000 0.246 142 G HA3 0.193 4.118 3.960 -0.058 0.000 0.246 142 G C -0.913 174.010 174.900 0.039 0.000 1.131 142 G CA -0.530 44.549 45.100 -0.034 0.000 0.773 142 G HN -0.436 7.972 8.290 0.281 0.051 0.544 143 Q N -2.342 117.520 119.800 0.104 0.000 2.164 143 Q HA 0.603 5.157 4.340 0.081 -0.166 0.226 143 Q C -1.552 174.550 176.000 0.171 0.000 0.813 143 Q CA -0.118 55.766 55.803 0.136 0.000 0.978 143 Q CB 0.394 29.271 28.738 0.233 0.000 1.149 143 Q HN -0.463 7.711 8.270 0.139 0.180 0.489 144 P HA -0.162 4.344 4.420 0.143 0.000 0.217 144 P C 0.885 178.232 177.300 0.078 0.000 1.150 144 P CA 3.093 66.277 63.100 0.140 0.000 0.832 144 P CB -0.100 31.722 31.700 0.203 0.000 0.787 145 V N -2.364 117.478 119.914 -0.120 0.000 2.626 145 V HA -0.460 3.550 4.120 -0.183 0.000 0.252 145 V C 1.753 177.793 176.094 -0.091 0.000 1.067 145 V CA 3.695 65.868 62.300 -0.210 0.000 1.081 145 V CB -0.463 31.093 31.823 -0.446 0.000 0.686 145 V HN -0.164 7.918 8.190 -0.179 0.000 0.468 146 S N 1.159 116.826 115.700 -0.054 0.000 2.382 146 S HA -0.238 4.156 4.470 -0.127 0.000 0.228 146 S C 1.817 176.314 174.600 -0.173 0.000 1.027 146 S CA 3.378 61.503 58.200 -0.124 0.000 0.991 146 S CB -0.518 62.579 63.200 -0.171 0.000 0.823 146 S HN -0.538 7.735 8.310 -0.025 0.022 0.469 147 F N -0.307 119.550 119.950 -0.156 0.000 2.269 147 F HA -0.174 4.233 4.527 -0.200 0.000 0.301 147 F C 1.420 177.133 175.800 -0.144 0.000 1.082 147 F CA 2.885 60.778 58.000 -0.178 0.000 1.360 147 F CB -0.153 38.726 39.000 -0.201 0.000 1.041 147 F HN -0.899 7.544 8.300 0.239 0.000 0.512 148 L N -3.522 117.727 121.223 0.044 0.000 2.307 148 L HA -0.120 4.223 4.340 0.005 0.000 0.211 148 L C -0.330 176.516 176.870 -0.040 0.000 1.099 148 L CA 0.631 55.472 54.840 0.001 0.000 0.816 148 L CB 0.573 42.639 42.059 0.010 0.000 0.952 148 L HN -0.786 7.311 8.230 0.045 0.160 0.455 149 L N -1.605 119.579 121.223 -0.064 0.000 2.319 149 L HA 0.193 4.722 4.340 -0.059 -0.225 0.280 149 L C 1.454 178.281 176.870 -0.071 0.000 1.099 149 L CA -0.348 54.450 54.840 -0.069 0.000 0.828 149 L CB 0.150 42.161 42.059 -0.078 0.000 1.150 149 L HN -0.700 7.488 8.230 -0.071 0.000 0.442 150 K N 4.713 125.079 120.400 -0.056 0.000 2.103 150 K HA -0.375 3.909 4.320 -0.059 0.000 0.207 150 K C 2.298 178.863 176.600 -0.058 0.000 1.048 150 K CA 4.311 60.565 56.287 -0.055 0.000 0.930 150 K CB -0.041 32.433 32.500 -0.042 0.000 0.716 150 K HN 0.240 8.460 8.250 -0.050 0.000 0.444 151 E N -3.238 116.929 120.200 -0.055 0.000 2.409 151 E HA -0.215 4.106 4.350 -0.048 0.000 0.198 151 E C 0.806 177.368 176.600 -0.062 0.000 1.024 151 E CA 2.032 58.401 56.400 -0.053 0.000 0.861 151 E CB -0.670 29.001 29.700 -0.049 0.000 0.788 151 E HN 0.199 8.511 8.360 -0.053 0.016 0.521 152 L N -3.694 117.481 121.223 -0.080 0.000 2.640 152 L HA 0.153 4.444 4.340 -0.081 0.000 0.230 152 L C 1.017 177.817 176.870 -0.116 0.000 1.123 152 L CA -0.673 54.109 54.840 -0.097 0.000 0.900 152 L CB 0.188 42.175 42.059 -0.120 0.000 1.146 152 L HN -0.615 7.395 8.230 -0.082 0.170 0.484 153 K N 2.715 123.052 120.400 -0.105 0.000 2.034 153 K HA -0.414 3.821 4.320 -0.142 0.000 0.214 153 K C 2.235 178.767 176.600 -0.112 0.000 1.051 153 K CA 4.029 60.247 56.287 -0.114 0.000 0.931 153 K CB -0.368 32.082 32.500 -0.084 0.000 0.715 153 K HN -0.683 7.514 8.250 -0.089 0.000 0.446 154 G N -3.969 104.781 108.800 -0.083 0.000 2.882 154 G HA2 -0.128 3.791 3.960 -0.069 0.000 0.206 154 G HA3 -0.128 3.799 3.960 -0.055 0.000 0.206 154 G C 0.487 175.342 174.900 -0.075 0.000 1.155 154 G CA 1.095 46.153 45.100 -0.070 0.000 0.800 154 G HN 0.412 8.658 8.290 -0.073 0.000 0.524 155 K N -1.282 119.057 120.400 -0.101 0.000 2.355 155 K HA 0.284 4.558 4.320 -0.076 0.000 0.198 155 K C -0.947 175.561 176.600 -0.153 0.000 1.039 155 K CA -1.414 54.812 56.287 -0.102 0.000 1.075 155 K CB 1.171 33.617 32.500 -0.091 0.000 0.870 155 K HN -0.143 7.821 8.250 -0.115 0.217 0.540 156 I N 1.874 122.318 120.570 -0.211 0.000 2.312 156 I HA 0.259 4.215 4.170 -0.357 0.000 0.290 156 I C -1.782 174.194 176.117 -0.236 0.000 1.008 156 I CA -4.943 56.158 61.300 -0.332 0.000 1.226 156 I CB -1.086 36.598 38.000 -0.526 0.000 1.371 156 I HN -0.852 7.189 8.210 -0.189 0.055 0.468 157 P HA 0.143 4.520 4.420 -0.073 0.000 0.277 157 P C -1.285 175.887 177.300 -0.213 0.000 1.271 157 P CA -1.231 61.799 63.100 -0.116 0.000 0.795 157 P CB 0.835 32.570 31.700 0.059 0.000 1.101 158 D N 0.078 120.393 120.400 -0.142 0.000 2.342 158 D HA -0.054 4.520 4.640 -0.110 0.000 0.260 158 D C -1.080 175.028 176.300 -0.321 0.000 1.278 158 D CA 0.313 54.230 54.000 -0.138 0.000 0.910 158 D CB -0.451 40.326 40.800 -0.037 0.000 1.079 158 D HN 0.005 8.334 8.370 -0.069 0.000 0.496 159 V N 5.248 124.975 119.914 -0.311 0.000 2.394 159 V HA 0.326 3.965 4.120 -0.802 0.000 0.282 159 V C -1.786 174.347 176.094 0.065 0.000 1.031 159 V CA -3.740 58.328 62.300 -0.388 0.000 0.881 159 V CB 1.396 33.025 31.823 -0.323 0.000 0.982 159 V HN -0.354 7.736 8.190 -0.167 0.000 0.451 160 P HA -0.060 4.421 4.420 0.102 0.000 0.262 160 P C -0.280 177.106 177.300 0.144 0.000 1.182 160 P CA 0.961 64.135 63.100 0.123 0.000 0.761 160 P CB 0.097 31.873 31.700 0.126 0.000 0.795 161 G N 1.400 110.237 108.800 0.062 0.000 2.194 161 G HA2 -0.284 3.641 3.960 -0.057 0.000 0.236 161 G HA3 -0.284 3.527 3.960 -0.248 0.000 0.236 161 G C -0.189 174.613 174.900 -0.164 0.000 0.987 161 G CA 0.460 45.495 45.100 -0.109 0.000 0.635 161 G HN 0.511 8.850 8.290 0.082 0.000 0.520 162 F N -1.503 118.523 119.950 0.127 0.000 2.735 162 F HA 0.308 4.840 4.527 0.008 0.000 0.308 162 F C 0.295 176.016 175.800 -0.131 0.000 1.112 162 F CA -1.205 56.786 58.000 -0.016 0.000 1.235 162 F CB 0.068 39.054 39.000 -0.022 0.000 1.027 162 F HN -0.510 7.897 8.300 0.268 0.054 0.528 163 S N 1.337 117.129 115.700 0.154 0.000 2.447 163 S HA -0.268 4.230 4.470 0.047 0.000 0.233 163 S C 0.748 175.385 174.600 0.061 0.000 1.006 163 S CA 2.572 60.824 58.200 0.086 0.000 0.957 163 S CB -0.875 62.388 63.200 0.103 0.000 0.773 163 S HN 0.198 8.627 8.310 0.198 0.000 0.507 164 W N -1.070 120.258 121.300 0.047 0.000 2.595 164 W HA 0.001 4.678 4.660 0.027 0.000 0.257 164 W C -1.283 175.272 176.519 0.060 0.000 1.267 164 W CA -1.069 56.295 57.345 0.033 0.000 1.300 164 W CB -0.666 28.794 29.460 -0.001 0.000 1.120 164 W HN -0.398 7.942 8.180 0.336 0.042 0.618 165 V N 2.381 121.780 119.914 -0.859 0.000 2.715 165 V HA -0.148 3.338 4.120 -1.056 0.000 0.299 165 V C -0.136 175.785 176.094 -0.288 0.000 1.054 165 V CA 1.124 62.927 62.300 -0.829 0.000 1.077 165 V CB -0.306 31.092 31.823 -0.708 0.000 0.972 165 V HN -0.665 6.958 8.190 -0.840 0.063 0.484 166 T N 7.974 122.417 114.554 -0.185 0.000 2.840 166 T HA 0.397 4.693 4.350 -0.089 0.000 0.287 166 T C -2.058 172.597 174.700 -0.073 0.000 0.991 166 T CA -3.394 58.653 62.100 -0.087 0.000 0.964 166 T CB 1.352 70.202 68.868 -0.029 0.000 0.954 166 T HN -0.151 7.970 8.240 -0.198 0.000 0.438 167 P HA -0.143 4.310 4.420 -0.051 -0.064 0.265 167 P C -0.810 176.468 177.300 -0.036 0.000 1.193 167 P CA -0.042 63.026 63.100 -0.054 0.000 0.765 167 P CB 0.319 31.981 31.700 -0.064 0.000 0.823 168 C N -0.344 118.940 119.300 -0.026 0.000 3.724 168 C HA 0.451 4.901 4.460 -0.016 0.000 0.327 168 C C -0.371 174.607 174.990 -0.021 0.000 1.490 168 C CA -1.402 57.606 59.018 -0.017 0.000 1.825 168 C CB 1.508 29.247 27.740 -0.001 0.000 2.613 168 C HN 0.220 8.434 8.230 -0.026 0.000 0.692 169 I N -0.201 120.353 120.570 -0.027 0.000 2.569 169 I HA 0.469 4.624 4.170 -0.025 0.000 0.296 169 I C -1.896 174.202 176.117 -0.032 0.000 1.028 169 I CA -1.374 59.910 61.300 -0.027 0.000 1.082 169 I CB 2.952 40.936 38.000 -0.026 0.000 1.264 169 I HN -0.610 7.583 8.210 -0.029 0.000 0.429 170 S N 4.570 120.254 115.700 -0.027 0.000 2.592 170 S HA 0.201 4.800 4.470 -0.031 -0.147 0.271 170 S C 1.659 176.248 174.600 -0.019 0.000 1.326 170 S CA -1.533 56.651 58.200 -0.026 0.000 1.024 170 S CB 1.421 64.606 63.200 -0.024 0.000 0.921 170 S HN 0.251 8.546 8.310 -0.025 0.000 0.527 171 A N 3.296 126.105 122.820 -0.018 0.000 1.948 171 A HA -0.318 3.993 4.320 -0.015 0.000 0.220 171 A C 1.501 179.108 177.584 0.037 0.000 1.177 171 A CA 3.609 55.644 52.037 -0.004 0.000 0.636 171 A CB -0.309 18.686 19.000 -0.009 0.000 0.815 171 A HN 0.287 8.868 8.150 -0.023 -0.445 0.449 172 K N -6.653 113.769 120.400 0.037 0.000 2.555 172 K HA -0.108 4.314 4.320 0.171 0.000 0.193 172 K C -0.319 176.330 176.600 0.082 0.000 1.032 172 K CA 1.075 57.409 56.287 0.078 0.000 1.004 172 K CB -0.605 31.889 32.500 -0.010 0.000 0.804 172 K HN -0.001 8.234 8.250 0.012 0.022 0.496 173 D N -1.081 119.351 120.400 0.053 0.000 2.462 173 D HA 0.229 4.893 4.640 0.040 0.000 0.221 173 D C -2.127 174.216 176.300 0.071 0.000 1.173 173 D CA 0.130 54.157 54.000 0.045 0.000 0.831 173 D CB 1.657 42.458 40.800 0.001 0.000 1.001 173 D HN -0.465 7.749 8.370 0.035 0.177 0.499 174 I N -0.968 119.650 120.570 0.080 0.000 2.647 174 I HA 0.845 5.262 4.170 0.038 -0.224 0.295 174 I C -2.987 173.139 176.117 0.016 0.000 1.078 174 I CA -1.700 59.602 61.300 0.003 0.000 1.048 174 I CB 3.577 41.489 38.000 -0.146 0.000 1.239 174 I HN -1.019 7.184 8.210 0.104 0.069 0.421 175 V N 5.841 125.759 119.914 0.008 0.000 2.531 175 V HA 0.455 4.775 4.120 0.008 -0.196 0.301 175 V C -1.443 174.686 176.094 0.059 0.000 1.034 175 V CA -2.139 60.188 62.300 0.044 0.000 0.865 175 V CB 3.068 34.986 31.823 0.159 0.000 0.995 175 V HN 0.400 8.609 8.190 0.032 0.000 0.424 176 Y N 6.268 126.694 120.300 0.209 0.000 2.308 176 Y HA 0.464 5.387 4.550 0.300 -0.193 0.329 176 Y C -0.318 175.752 175.900 0.284 0.000 1.111 176 Y CA -0.804 57.445 58.100 0.249 0.000 1.179 176 Y CB 1.986 40.554 38.460 0.180 0.000 1.201 176 Y HN -0.093 8.345 8.280 0.263 0.000 0.483 177 I N 0.305 121.121 120.570 0.410 0.000 2.499 177 I HA 0.556 5.137 4.170 0.354 -0.198 0.288 177 I C -0.277 175.951 176.117 0.185 0.000 1.048 177 I CA -1.179 60.293 61.300 0.287 0.000 1.062 177 I CB 2.645 40.743 38.000 0.164 0.000 1.238 177 I HN 0.239 8.695 8.210 0.411 0.000 0.426 178 G N 4.102 112.997 108.800 0.158 0.000 2.229 178 G HA2 -0.292 3.705 3.960 0.063 0.000 0.189 178 G HA3 -0.292 3.757 3.960 0.044 -0.063 0.189 178 G C -1.291 173.633 174.900 0.039 0.000 1.000 178 G CA -0.167 44.977 45.100 0.074 0.000 0.663 178 G HN 0.524 8.933 8.290 0.198 0.000 0.493 179 L N 1.263 122.512 121.223 0.044 0.000 2.540 179 L HA -0.315 4.036 4.340 -0.092 -0.066 0.276 179 L C -0.196 176.636 176.870 -0.063 0.000 1.212 179 L CA 0.890 55.698 54.840 -0.053 0.000 0.893 179 L CB -0.421 41.570 42.059 -0.114 0.000 1.138 179 L HN -0.595 7.695 8.230 0.101 0.000 0.491 180 R N -1.292 119.137 120.500 -0.118 0.000 2.433 180 R HA 0.289 4.582 4.340 -0.079 0.000 0.322 180 R C -0.987 175.247 176.300 -0.111 0.000 0.808 180 R CA -0.033 56.009 56.100 -0.096 0.000 1.046 180 R CB 1.784 32.046 30.300 -0.063 0.000 1.740 180 R HN 0.650 8.819 8.270 -0.168 0.000 0.490 181 D N 0.993 121.310 120.400 -0.139 0.000 2.714 181 D HA 0.089 4.704 4.640 -0.041 0.000 0.264 181 D C -1.739 174.566 176.300 0.008 0.000 1.231 181 D CA 0.090 54.057 54.000 -0.055 0.000 0.802 181 D CB 1.863 42.653 40.800 -0.017 0.000 1.319 181 D HN -0.419 7.843 8.370 -0.180 0.000 0.528 182 V N 2.307 122.188 119.914 -0.055 0.000 2.370 182 V HA -0.009 4.082 4.120 -0.047 0.000 0.283 182 V C -0.384 175.685 176.094 -0.042 0.000 1.023 182 V CA -1.533 60.725 62.300 -0.069 0.000 0.857 182 V CB 0.966 32.703 31.823 -0.143 0.000 0.985 182 V HN -0.170 7.972 8.190 -0.080 0.000 0.443 183 D N 8.398 128.789 120.400 -0.015 0.000 2.400 183 D HA 0.144 4.780 4.640 -0.007 0.000 0.238 183 D C -0.368 175.937 176.300 0.008 0.000 1.157 183 D CA -1.129 52.868 54.000 -0.005 0.000 0.889 183 D CB 0.075 40.875 40.800 -0.001 0.000 1.199 183 D HN -0.133 8.509 8.370 -0.011 -0.279 0.436 184 P HA -0.190 4.272 4.420 0.069 0.000 0.216 184 P C 1.397 178.743 177.300 0.077 0.000 1.153 184 P CA 2.243 65.372 63.100 0.048 0.000 0.858 184 P CB 0.225 31.936 31.700 0.019 0.000 0.789 185 G N -3.596 105.226 108.800 0.036 0.000 2.432 185 G HA2 -0.344 3.645 3.960 0.048 0.000 0.219 185 G HA3 -0.344 3.622 3.960 0.010 0.000 0.219 185 G C 1.132 176.079 174.900 0.078 0.000 1.135 185 G CA 1.664 46.791 45.100 0.044 0.000 0.767 185 G HN 0.554 8.852 8.290 0.015 0.000 0.550 186 E N 1.774 121.995 120.200 0.034 0.000 2.072 186 E HA -0.394 3.944 4.350 -0.021 0.000 0.191 186 E C 1.528 178.120 176.600 -0.013 0.000 0.985 186 E CA 3.272 59.666 56.400 -0.010 0.000 0.801 186 E CB -0.219 29.450 29.700 -0.052 0.000 0.750 186 E HN -0.680 7.582 8.360 0.025 0.113 0.452 187 H N 1.116 120.140 119.070 -0.077 0.000 2.357 187 H HA -0.302 4.137 4.556 -0.194 0.000 0.301 187 H C 1.820 177.115 175.328 -0.055 0.000 1.082 187 H CA 3.581 59.561 56.048 -0.113 0.000 1.342 187 H CB 0.724 30.428 29.762 -0.097 0.000 1.389 187 H HN -0.411 7.945 8.280 0.125 0.000 0.511 188 Y N 0.590 120.819 120.300 -0.117 0.000 2.081 188 Y HA -0.424 4.020 4.550 -0.177 0.000 0.280 188 Y C 1.761 177.573 175.900 -0.148 0.000 1.163 188 Y CA 4.007 62.024 58.100 -0.138 0.000 1.135 188 Y CB -0.228 38.193 38.460 -0.066 0.000 0.970 188 Y HN -0.246 8.155 8.280 0.202 0.000 0.498 189 I N -1.590 118.939 120.570 -0.067 0.000 2.179 189 I HA -0.627 3.436 4.170 -0.179 0.000 0.242 189 I C 1.798 177.799 176.117 -0.194 0.000 1.088 189 I CA 4.192 65.415 61.300 -0.129 0.000 1.357 189 I CB -0.153 37.831 38.000 -0.027 0.000 1.051 189 I HN -0.561 7.693 8.210 0.074 0.000 0.409 190 L N -0.623 120.483 121.223 -0.194 0.000 1.990 190 L HA -0.531 3.755 4.340 -0.091 0.000 0.213 190 L C 2.328 179.088 176.870 -0.184 0.000 1.072 190 L CA 3.517 58.252 54.840 -0.176 0.000 0.755 190 L CB -0.522 41.369 42.059 -0.279 0.000 0.889 190 L HN -0.166 7.952 8.230 -0.186 0.000 0.432 191 K N -3.801 116.411 120.400 -0.313 0.000 2.103 191 K HA -0.136 4.081 4.320 -0.171 0.000 0.204 191 K C 2.491 178.925 176.600 -0.276 0.000 1.052 191 K CA 1.758 57.876 56.287 -0.281 0.000 0.945 191 K CB -0.537 31.729 32.500 -0.389 0.000 0.722 191 K HN -0.550 7.456 8.250 -0.407 0.000 0.443 192 T N 0.311 114.622 114.554 -0.406 0.000 2.737 192 T HA -0.258 3.878 4.350 -0.357 0.000 0.265 192 T C 1.310 175.880 174.700 -0.217 0.000 1.038 192 T CA 3.130 64.993 62.100 -0.395 0.000 1.144 192 T CB 0.303 68.793 68.868 -0.631 0.000 0.866 192 T HN -0.380 7.566 8.240 -0.490 0.000 0.434 193 L N -2.366 118.753 121.223 -0.173 0.000 2.446 193 L HA 0.044 4.329 4.340 -0.092 0.000 0.219 193 L C 0.699 177.534 176.870 -0.058 0.000 1.116 193 L CA -0.186 54.595 54.840 -0.098 0.000 0.844 193 L CB 0.590 42.602 42.059 -0.078 0.000 0.970 193 L HN -0.454 7.657 8.230 -0.199 0.000 0.457 194 G N -0.894 107.871 108.800 -0.058 0.000 2.225 194 G HA2 -0.403 3.543 3.960 -0.024 0.000 0.264 194 G HA3 -0.403 3.545 3.960 -0.020 0.000 0.264 194 G C -0.074 174.839 174.900 0.020 0.000 1.060 194 G CA 0.304 45.392 45.100 -0.020 0.000 0.833 194 G HN -0.621 7.578 8.290 -0.087 0.039 0.498 195 I N -1.146 119.450 120.570 0.044 0.000 2.588 195 I HA -0.345 3.868 4.170 0.073 0.000 0.283 195 I C -0.040 176.128 176.117 0.085 0.000 1.119 195 I CA 0.405 61.755 61.300 0.084 0.000 1.419 195 I CB 0.659 38.735 38.000 0.127 0.000 1.394 195 I HN -0.782 7.445 8.210 0.027 0.000 0.562 196 K N 8.444 128.809 120.400 -0.058 0.000 2.416 196 K HA -0.027 4.031 4.320 -0.436 0.000 0.283 196 K C -1.794 174.736 176.600 -0.116 0.000 1.037 196 K CA -0.008 56.081 56.287 -0.330 0.000 0.995 196 K CB 0.454 32.460 32.500 -0.824 0.000 0.938 196 K HN 0.444 8.677 8.250 -0.027 0.000 0.475 197 Y N 0.691 120.804 120.300 -0.311 0.000 2.534 197 Y HA 0.546 5.260 4.550 0.035 -0.143 0.345 197 Y C -1.442 174.159 175.900 -0.499 0.000 1.031 197 Y CA -2.921 55.082 58.100 -0.161 0.000 1.022 197 Y CB 3.229 41.682 38.460 -0.013 0.000 1.292 197 Y HN -0.435 7.334 8.280 -0.852 0.000 0.459 198 F N 3.067 123.112 119.950 0.158 0.000 2.307 198 F HA 0.265 4.816 4.527 0.041 0.000 0.369 198 F C -0.564 175.347 175.800 0.185 0.000 1.076 198 F CA -1.267 56.795 58.000 0.104 0.000 1.149 198 F CB 0.220 39.247 39.000 0.045 0.000 1.410 198 F HN 0.578 9.115 8.300 0.395 0.000 0.481 199 S N 3.326 119.231 115.700 0.341 0.000 2.606 199 S HA 0.076 4.782 4.470 0.163 -0.138 0.257 199 S C 1.025 175.720 174.600 0.159 0.000 1.327 199 S CA 0.105 58.426 58.200 0.202 0.000 0.984 199 S CB 1.459 64.745 63.200 0.143 0.000 0.941 199 S HN 0.299 9.073 8.310 0.400 -0.224 0.576 200 M N -0.543 119.113 119.600 0.092 0.000 2.195 200 M HA -0.219 4.312 4.480 0.085 0.000 0.260 200 M C 2.265 178.612 176.300 0.078 0.000 1.066 200 M CA 1.523 56.868 55.300 0.076 0.000 1.089 200 M CB -2.197 30.429 32.600 0.044 0.000 1.377 200 M HN 0.354 8.683 8.290 0.064 0.000 0.411 201 T N 1.677 116.277 114.554 0.076 0.000 2.684 201 T HA -0.404 3.979 4.350 0.054 0.000 0.267 201 T C 1.965 176.717 174.700 0.087 0.000 1.036 201 T CA 4.492 66.634 62.100 0.070 0.000 1.148 201 T CB -0.333 68.575 68.868 0.067 0.000 0.863 201 T HN -0.538 7.729 8.240 0.073 0.017 0.436 202 E N 0.723 120.998 120.200 0.124 0.000 2.106 202 E HA -0.220 4.200 4.350 0.118 0.000 0.192 202 E C 2.324 179.021 176.600 0.162 0.000 0.984 202 E CA 3.054 59.548 56.400 0.156 0.000 0.806 202 E CB -0.643 29.190 29.700 0.222 0.000 0.750 202 E HN -0.555 7.889 8.360 0.141 0.000 0.458 203 V N 0.212 120.215 119.914 0.149 0.000 2.343 203 V HA -0.442 3.721 4.120 0.072 0.000 0.247 203 V C 1.788 177.914 176.094 0.054 0.000 1.051 203 V CA 3.994 66.346 62.300 0.087 0.000 1.036 203 V CB -1.007 30.861 31.823 0.075 0.000 0.654 203 V HN -0.277 8.011 8.190 0.163 0.000 0.451 204 D N -1.005 119.428 120.400 0.055 0.000 2.144 204 D HA -0.176 4.483 4.640 0.030 0.000 0.200 204 D C 2.089 178.409 176.300 0.033 0.000 0.978 204 D CA 3.080 57.103 54.000 0.038 0.000 0.833 204 D CB -0.355 40.468 40.800 0.038 0.000 0.961 204 D HN -0.218 8.191 8.370 0.066 0.000 0.470 205 R N -1.160 119.367 120.500 0.045 0.000 2.066 205 R HA -0.161 4.197 4.340 0.030 0.000 0.232 205 R C 1.920 178.239 176.300 0.033 0.000 1.131 205 R CA 2.636 58.759 56.100 0.039 0.000 0.955 205 R CB 0.537 30.866 30.300 0.048 0.000 0.851 205 R HN -0.604 7.616 8.270 0.058 0.084 0.432 206 L N -5.479 115.769 121.223 0.042 0.000 2.298 206 L HA 0.113 4.468 4.340 0.026 0.000 0.209 206 L C -0.187 176.679 176.870 -0.006 0.000 1.084 206 L CA 0.131 54.988 54.840 0.028 0.000 0.816 206 L CB 1.036 43.126 42.059 0.051 0.000 0.967 206 L HN -0.383 7.881 8.230 0.057 0.000 0.460 207 G N -2.538 106.253 108.800 -0.014 0.000 2.716 207 G HA2 -0.299 3.680 3.960 -0.043 0.000 0.686 207 G HA3 -0.299 3.623 3.960 -0.063 0.000 0.686 207 G C -0.063 174.792 174.900 -0.076 0.000 1.337 207 G CA -0.502 44.569 45.100 -0.050 0.000 0.829 207 G HN -0.608 7.683 8.290 0.003 0.000 0.599 208 I N 1.081 121.588 120.570 -0.104 0.000 2.567 208 I HA -0.251 3.881 4.170 -0.064 0.000 0.257 208 I C 1.205 177.263 176.117 -0.099 0.000 1.184 208 I CA 1.293 62.539 61.300 -0.089 0.000 1.451 208 I CB -0.219 37.749 38.000 -0.053 0.000 1.089 208 I HN 0.580 8.723 8.210 -0.111 0.000 0.441 209 G N -0.835 107.828 108.800 -0.229 0.000 2.433 209 G HA2 -0.326 3.586 3.960 -0.081 0.000 0.216 209 G HA3 -0.326 3.515 3.960 -0.199 0.000 0.216 209 G C 1.447 176.341 174.900 -0.011 0.000 1.186 209 G CA 2.314 47.328 45.100 -0.143 0.000 0.779 209 G HN 0.096 8.199 8.290 -0.260 0.030 0.543 210 K N 1.699 122.067 120.400 -0.052 0.000 2.211 210 K HA -0.186 4.121 4.320 -0.022 0.000 0.203 210 K C 2.255 178.782 176.600 -0.121 0.000 1.050 210 K CA 1.506 57.767 56.287 -0.044 0.000 0.945 210 K CB -0.513 31.975 32.500 -0.020 0.000 0.732 210 K HN -0.453 7.756 8.250 -0.069 0.000 0.451 211 V N 0.691 120.481 119.914 -0.207 0.000 2.287 211 V HA -0.489 3.120 4.120 -0.852 0.000 0.248 211 V C 1.758 177.567 176.094 -0.475 0.000 1.053 211 V CA 4.650 66.622 62.300 -0.547 0.000 1.027 211 V CB -0.612 30.936 31.823 -0.459 0.000 0.646 211 V HN -0.097 8.005 8.190 -0.147 0.000 0.447 212 M N -2.028 117.472 119.600 -0.168 0.000 2.200 212 M HA -0.275 4.122 4.480 -0.140 0.000 0.265 212 M C 2.403 178.668 176.300 -0.058 0.000 1.066 212 M CA 1.528 56.778 55.300 -0.084 0.000 1.127 212 M CB -1.566 31.060 32.600 0.043 0.000 1.379 212 M HN -0.295 7.953 8.290 -0.070 0.000 0.420 213 E N 1.120 121.306 120.200 -0.024 0.000 2.058 213 E HA -0.478 3.879 4.350 0.012 0.000 0.194 213 E C 2.336 178.939 176.600 0.005 0.000 0.997 213 E CA 3.663 60.064 56.400 0.002 0.000 0.801 213 E CB -0.016 29.694 29.700 0.017 0.000 0.746 213 E HN -0.276 8.077 8.360 -0.011 0.000 0.450 214 E N -1.698 118.490 120.200 -0.020 0.000 2.106 214 E HA -0.216 4.197 4.350 0.106 0.000 0.192 214 E C 2.719 179.397 176.600 0.129 0.000 0.984 214 E CA 2.672 59.117 56.400 0.075 0.000 0.806 214 E CB 0.137 29.921 29.700 0.140 0.000 0.750 214 E HN -0.262 8.054 8.360 -0.073 0.000 0.458 215 T N 3.165 117.710 114.554 -0.014 0.000 2.708 215 T HA -0.341 4.146 4.350 0.228 0.000 0.266 215 T C 2.011 176.798 174.700 0.144 0.000 1.037 215 T CA 5.022 67.177 62.100 0.091 0.000 1.146 215 T CB -0.031 68.812 68.868 -0.042 0.000 0.865 215 T HN -0.090 8.039 8.240 -0.185 0.000 0.435 216 L N -0.908 120.356 121.223 0.067 0.000 2.179 216 L HA -0.250 4.131 4.340 0.069 0.000 0.208 216 L C 1.623 178.538 176.870 0.075 0.000 1.096 216 L CA 2.856 57.731 54.840 0.058 0.000 0.779 216 L CB -0.391 41.674 42.059 0.011 0.000 0.922 216 L HN -0.339 7.907 8.230 0.027 0.000 0.443 217 S N 0.013 115.765 115.700 0.086 0.000 2.382 217 S HA -0.320 4.180 4.470 0.050 0.000 0.228 217 S C 2.026 176.695 174.600 0.115 0.000 1.027 217 S CA 3.477 61.726 58.200 0.082 0.000 0.991 217 S CB -0.548 62.700 63.200 0.080 0.000 0.823 217 S HN -0.373 7.986 8.310 0.082 0.000 0.469 218 Y N 3.117 123.445 120.300 0.047 0.000 2.200 218 Y HA -0.296 4.276 4.550 0.037 0.000 0.290 218 Y C 1.079 176.999 175.900 0.033 0.000 1.137 218 Y CA 3.248 61.377 58.100 0.048 0.000 1.163 218 Y CB 0.255 38.766 38.460 0.084 0.000 0.988 218 Y HN -0.561 7.897 8.280 0.297 0.000 0.518 219 L N -4.832 116.475 121.223 0.140 0.000 2.270 219 L HA -0.203 4.117 4.340 -0.035 0.000 0.210 219 L C 0.980 177.841 176.870 -0.015 0.000 1.104 219 L CA 1.913 56.779 54.840 0.044 0.000 0.804 219 L CB 0.694 42.828 42.059 0.126 0.000 0.937 219 L HN -0.613 7.752 8.230 0.226 0.000 0.450 220 L N -5.951 115.272 121.223 -0.001 0.000 2.817 220 L HA 0.529 5.000 4.340 -0.020 -0.144 0.248 220 L C 1.525 178.383 176.870 -0.019 0.000 1.133 220 L CA -0.526 54.306 54.840 -0.012 0.000 0.935 220 L CB 0.662 42.718 42.059 -0.005 0.000 1.266 220 L HN -0.047 8.196 8.230 0.022 0.000 0.535 221 G N -0.304 108.483 108.800 -0.021 0.000 2.418 221 G HA2 -0.205 3.751 3.960 -0.007 0.000 0.217 221 G HA3 -0.205 3.821 3.960 -0.013 -0.073 0.217 221 G C 0.844 175.728 174.900 -0.028 0.000 1.158 221 G CA 1.441 46.531 45.100 -0.016 0.000 0.771 221 G HN -0.415 7.860 8.290 -0.024 0.000 0.545 222 R N -1.155 119.318 120.500 -0.046 0.000 2.062 222 R HA -0.051 4.267 4.340 -0.036 0.000 0.226 222 R C -0.083 176.196 176.300 -0.034 0.000 1.125 222 R CA 1.503 57.577 56.100 -0.044 0.000 0.966 222 R CB 0.484 30.746 30.300 -0.064 0.000 0.861 222 R HN 0.222 8.433 8.270 -0.059 0.023 0.433 223 K N -1.261 119.119 120.400 -0.035 0.000 2.464 223 K HA 0.233 4.541 4.320 -0.020 0.000 0.253 223 K C -1.612 174.975 176.600 -0.021 0.000 0.933 223 K CA -1.245 55.028 56.287 -0.024 0.000 0.801 223 K CB 2.901 35.387 32.500 -0.022 0.000 1.271 223 K HN -0.300 7.925 8.250 -0.042 0.000 0.430 224 K N 2.649 123.039 120.400 -0.016 0.000 2.401 224 K HA -0.137 4.172 4.320 -0.018 0.000 0.278 224 K C -0.528 176.066 176.600 -0.010 0.000 1.018 224 K CA 1.162 57.440 56.287 -0.015 0.000 0.981 224 K CB 0.436 32.927 32.500 -0.015 0.000 0.933 224 K HN 0.280 8.521 8.250 -0.014 0.000 0.477 225 R N 0.601 121.094 120.500 -0.012 0.000 2.716 225 R HA 0.375 4.716 4.340 0.001 0.000 0.271 225 R C -3.052 173.238 176.300 -0.017 0.000 1.028 225 R CA -3.072 53.023 56.100 -0.007 0.000 0.883 225 R CB -0.990 29.306 30.300 -0.006 0.000 1.250 225 R HN -0.119 8.142 8.270 -0.015 0.000 0.465 226 P HA 0.024 4.548 4.420 -0.041 -0.128 0.268 226 P C -2.110 175.196 177.300 0.009 0.000 1.205 226 P CA -0.355 62.720 63.100 -0.042 0.000 0.771 226 P CB 0.473 32.096 31.700 -0.128 0.000 0.858 227 I N 0.839 121.438 120.570 0.048 0.000 2.377 227 I HA 0.439 4.843 4.170 0.091 -0.180 0.293 227 I C -0.990 175.238 176.117 0.186 0.000 0.987 227 I CA -2.410 58.943 61.300 0.088 0.000 1.185 227 I CB 1.307 39.329 38.000 0.036 0.000 1.341 227 I HN 0.293 8.522 8.210 0.030 0.000 0.455 228 H N 8.319 127.474 119.070 0.142 0.000 2.541 228 H HA 0.428 5.297 4.556 0.211 -0.187 0.316 228 H C -1.707 173.694 175.328 0.123 0.000 1.043 228 H CA -1.895 54.268 56.048 0.191 0.000 1.232 228 H CB 2.192 32.109 29.762 0.258 0.000 1.406 228 H HN 0.781 9.215 8.280 0.256 0.000 0.469 229 L N 9.432 130.589 121.223 -0.110 0.000 2.257 229 L HA 0.680 5.253 4.340 0.083 -0.183 0.290 229 L C -2.428 174.409 176.870 -0.054 0.000 1.044 229 L CA -1.109 53.720 54.840 -0.018 0.000 0.810 229 L CB 1.984 44.029 42.059 -0.024 0.000 1.193 229 L HN 0.200 8.278 8.230 -0.253 0.000 0.425 230 S N 6.963 122.696 115.700 0.056 0.000 2.461 230 S HA 0.253 4.713 4.470 -0.017 0.000 0.322 230 S C -1.899 172.573 174.600 -0.212 0.000 1.063 230 S CA -1.131 57.016 58.200 -0.087 0.000 1.120 230 S CB 0.752 63.773 63.200 -0.300 0.000 0.968 230 S HN 0.490 8.866 8.310 0.110 0.000 0.467 231 F N 9.970 129.778 119.950 -0.237 0.000 2.361 231 F HA 0.354 4.900 4.527 -0.163 -0.118 0.364 231 F C -2.180 173.469 175.800 -0.252 0.000 1.117 231 F CA -1.360 56.523 58.000 -0.195 0.000 1.071 231 F CB 3.056 41.977 39.000 -0.131 0.000 1.188 231 F HN 0.380 8.712 8.300 0.053 0.000 0.464 232 D N 8.035 128.320 120.400 -0.191 0.000 2.295 232 D HA 0.246 4.914 4.640 -0.184 -0.139 0.248 232 D C 1.646 177.992 176.300 0.075 0.000 1.154 232 D CA -1.710 52.226 54.000 -0.107 0.000 0.857 232 D CB 1.803 42.611 40.800 0.014 0.000 1.117 232 D HN 0.197 8.381 8.370 -0.309 0.000 0.468 233 V N 2.329 122.360 119.914 0.195 0.000 2.867 233 V HA -0.276 4.117 4.120 0.455 0.000 0.260 233 V C 0.833 177.042 176.094 0.192 0.000 1.099 233 V CA 2.739 65.201 62.300 0.270 0.000 1.122 233 V CB -0.858 31.083 31.823 0.196 0.000 0.708 233 V HN 0.039 8.312 8.190 0.138 0.000 0.490 234 D N -0.160 120.329 120.400 0.148 0.000 2.363 234 D HA -0.099 4.629 4.640 0.147 0.000 0.226 234 D C 1.481 177.831 176.300 0.083 0.000 1.020 234 D CA 0.887 54.973 54.000 0.143 0.000 0.892 234 D CB -1.173 39.747 40.800 0.199 0.000 0.900 234 D HN -0.186 8.529 8.370 0.143 -0.259 0.531 235 G N -0.810 108.002 108.800 0.021 0.000 2.448 235 G HA2 -0.224 3.789 3.960 -0.038 0.000 0.219 235 G HA3 -0.224 3.639 3.960 -0.161 0.000 0.219 235 G C -0.745 174.168 174.900 0.021 0.000 1.127 235 G CA 1.132 46.203 45.100 -0.050 0.000 0.766 235 G HN -0.022 8.115 8.290 0.006 0.157 0.552 236 L N -1.821 119.469 121.223 0.112 0.000 2.399 236 L HA 0.009 4.563 4.340 0.152 -0.122 0.266 236 L C -0.339 176.670 176.870 0.232 0.000 1.114 236 L CA -0.723 54.230 54.840 0.188 0.000 0.804 236 L CB 0.499 42.709 42.059 0.251 0.000 1.146 236 L HN -0.834 7.457 8.230 0.136 0.020 0.451 237 D N 0.731 121.324 120.400 0.321 0.000 2.472 237 D HA -0.059 4.684 4.640 0.172 0.000 0.237 237 D C 0.362 176.787 176.300 0.207 0.000 1.141 237 D CA 0.094 54.252 54.000 0.263 0.000 0.875 237 D CB 1.334 42.323 40.800 0.314 0.000 1.192 237 D HN -0.136 8.454 8.370 0.367 0.000 0.450 238 P HA -0.108 4.364 4.420 0.087 0.000 0.223 238 P C -0.018 177.266 177.300 -0.027 0.000 1.144 238 P CA 1.547 64.681 63.100 0.057 0.000 0.783 238 P CB -0.074 31.648 31.700 0.037 0.000 0.771 239 S N -3.463 112.142 115.700 -0.158 0.000 2.474 239 S HA -0.203 4.118 4.470 -0.248 0.000 0.235 239 S C 1.507 175.781 174.600 -0.544 0.000 0.997 239 S CA 2.753 60.723 58.200 -0.383 0.000 0.949 239 S CB 0.012 62.876 63.200 -0.561 0.000 0.766 239 S HN -0.250 8.226 8.310 -0.129 -0.244 0.517 240 F N 1.219 121.222 119.950 0.088 0.000 2.453 240 F HA 0.160 4.754 4.527 0.111 0.000 0.284 240 F C 0.141 176.012 175.800 0.119 0.000 1.065 240 F CA 1.792 59.867 58.000 0.125 0.000 1.411 240 F CB 1.527 40.643 39.000 0.193 0.000 1.131 240 F HN -0.254 7.855 8.300 -0.055 0.158 0.582 241 T N -5.276 109.433 114.554 0.257 0.000 3.427 241 T HA 0.591 5.043 4.350 0.169 0.000 0.306 241 T C -0.961 173.812 174.700 0.123 0.000 1.733 241 T CA -3.725 58.485 62.100 0.184 0.000 1.599 241 T CB 0.722 69.712 68.868 0.204 0.000 0.964 241 T HN -0.535 7.864 8.240 0.263 0.000 0.701 242 P HA -0.097 4.390 4.420 0.058 -0.032 0.221 242 P C -0.569 176.769 177.300 0.063 0.000 1.150 242 P CA 1.228 64.363 63.100 0.058 0.000 0.800 242 P CB 0.084 31.802 31.700 0.031 0.000 0.787 243 A N 0.104 122.964 122.820 0.066 0.000 3.037 243 A HA 0.127 4.479 4.320 0.052 0.000 0.272 243 A C -1.830 175.797 177.584 0.071 0.000 1.723 243 A CA -0.428 51.645 52.037 0.060 0.000 1.413 243 A CB -1.491 17.540 19.000 0.052 0.000 1.112 243 A HN -0.481 7.712 8.150 0.071 0.000 0.606 244 T N 0.102 114.702 114.554 0.078 0.000 2.889 244 T HA 0.350 4.878 4.350 0.088 -0.125 0.315 244 T C 0.462 175.218 174.700 0.094 0.000 1.291 244 T CA -1.611 60.545 62.100 0.093 0.000 1.028 244 T CB 1.525 70.462 68.868 0.115 0.000 1.235 244 T HN -0.604 7.623 8.240 0.073 0.058 0.491 245 G N 3.972 112.835 108.800 0.105 0.000 2.422 245 G HA2 -0.079 3.927 3.960 0.077 0.000 0.218 245 G HA3 -0.079 3.951 3.960 0.117 0.000 0.218 245 G C -0.077 174.892 174.900 0.115 0.000 1.146 245 G CA 1.480 46.642 45.100 0.103 0.000 0.769 245 G HN 0.674 9.033 8.290 0.114 0.000 0.547 246 T N 1.223 115.864 114.554 0.144 0.000 3.585 246 T HA 0.207 4.634 4.350 0.128 0.000 0.252 246 T C -2.594 172.231 174.700 0.208 0.000 1.382 246 T CA -2.696 59.498 62.100 0.157 0.000 1.584 246 T CB 0.824 69.752 68.868 0.100 0.000 0.892 246 T HN -0.361 7.974 8.240 0.158 0.000 0.671 247 P HA 0.031 4.531 4.420 0.134 0.000 0.271 247 P C -1.989 175.377 177.300 0.111 0.000 1.216 247 P CA 0.004 63.179 63.100 0.124 0.000 0.776 247 P CB 0.836 32.589 31.700 0.088 0.000 0.881 248 V N 3.196 123.159 119.914 0.082 0.000 2.577 248 V HA 0.212 4.363 4.120 0.053 0.000 0.303 248 V C -0.518 175.597 176.094 0.034 0.000 1.042 248 V CA -1.904 60.423 62.300 0.045 0.000 0.872 248 V CB 2.708 34.527 31.823 -0.006 0.000 0.998 248 V HN 0.319 8.557 8.190 0.081 0.000 0.423 249 V N 3.197 123.129 119.914 0.030 0.000 3.178 249 V HA -0.222 3.918 4.120 0.034 0.000 0.306 249 V C 1.370 177.482 176.094 0.030 0.000 1.107 249 V CA 0.586 62.903 62.300 0.029 0.000 1.195 249 V CB -0.042 31.793 31.823 0.020 0.000 0.993 249 V HN 0.333 8.540 8.190 0.029 0.000 0.493 250 G N 2.713 111.538 108.800 0.043 0.000 2.171 250 G HA2 -0.387 3.605 3.960 0.054 0.000 0.238 250 G HA3 -0.387 3.593 3.960 0.034 0.000 0.238 250 G C -0.847 174.089 174.900 0.060 0.000 1.039 250 G CA 0.066 45.194 45.100 0.047 0.000 0.759 250 G HN 0.098 8.568 8.290 0.046 -0.153 0.501 251 G N -1.752 107.101 108.800 0.088 0.000 2.525 251 G HA2 0.295 4.294 3.960 0.064 0.000 0.287 251 G HA3 0.295 4.320 3.960 0.108 0.000 0.287 251 G C -0.728 174.246 174.900 0.123 0.000 1.350 251 G CA -1.602 43.556 45.100 0.096 0.000 1.039 251 G HN -0.517 8.136 8.290 0.099 -0.303 0.513 252 L N 0.288 121.570 121.223 0.099 0.000 2.485 252 L HA 0.135 4.678 4.340 0.064 -0.165 0.275 252 L C 1.329 178.244 176.870 0.075 0.000 1.207 252 L CA 0.519 55.403 54.840 0.074 0.000 0.855 252 L CB -0.002 42.083 42.059 0.043 0.000 1.114 252 L HN -0.249 8.031 8.230 0.083 0.000 0.485 253 T N -1.022 113.527 114.554 -0.009 0.000 2.816 253 T HA 0.152 4.352 4.350 -0.251 0.000 0.282 253 T C 0.978 175.378 174.700 -0.499 0.000 0.993 253 T CA -1.829 60.121 62.100 -0.250 0.000 0.994 253 T CB 2.471 71.278 68.868 -0.103 0.000 1.025 253 T HN 0.010 8.567 8.240 0.005 -0.313 0.529 254 Y N 3.716 123.241 120.300 -1.293 0.000 2.114 254 Y HA -0.467 3.736 4.550 -0.579 0.000 0.282 254 Y C 1.630 177.347 175.900 -0.306 0.000 1.165 254 Y CA 4.874 62.521 58.100 -0.755 0.000 1.148 254 Y CB -0.055 37.949 38.460 -0.760 0.000 0.972 254 Y HN 0.517 7.578 8.280 -2.032 0.000 0.504 255 R N -2.893 117.577 120.500 -0.050 0.000 2.083 255 R HA -0.445 3.915 4.340 0.032 0.000 0.237 255 R C 2.450 178.737 176.300 -0.021 0.000 1.137 255 R CA 3.973 60.072 56.100 -0.001 0.000 0.951 255 R CB -0.607 29.709 30.300 0.026 0.000 0.851 255 R HN 0.208 8.443 8.270 -0.059 0.000 0.434 256 E N -1.038 119.140 120.200 -0.037 0.000 2.110 256 E HA -0.333 4.055 4.350 0.064 0.000 0.193 256 E C 2.575 179.202 176.600 0.045 0.000 0.988 256 E CA 2.608 59.022 56.400 0.023 0.000 0.804 256 E CB -0.395 29.310 29.700 0.009 0.000 0.745 256 E HN -0.488 7.830 8.360 -0.070 0.000 0.458 257 G N -0.656 108.131 108.800 -0.022 0.000 2.418 257 G HA2 -0.257 3.793 3.960 0.150 0.000 0.217 257 G HA3 -0.257 3.710 3.960 0.012 0.000 0.217 257 G C 1.272 176.138 174.900 -0.056 0.000 1.158 257 G CA 1.905 47.023 45.100 0.030 0.000 0.771 257 G HN -0.170 8.071 8.290 -0.081 0.000 0.545 258 L N 1.602 122.723 121.223 -0.170 0.000 2.093 258 L HA -0.195 4.028 4.340 -0.195 0.000 0.208 258 L C 2.088 178.927 176.870 -0.051 0.000 1.085 258 L CA 2.296 57.043 54.840 -0.155 0.000 0.755 258 L CB -0.324 41.626 42.059 -0.183 0.000 0.904 258 L HN -0.457 7.634 8.230 -0.232 0.000 0.435 259 Y N 0.804 121.057 120.300 -0.079 0.000 2.145 259 Y HA -0.345 4.177 4.550 -0.046 0.000 0.286 259 Y C 2.275 178.153 175.900 -0.037 0.000 1.145 259 Y CA 3.616 61.686 58.100 -0.049 0.000 1.148 259 Y CB 0.129 38.563 38.460 -0.043 0.000 0.981 259 Y HN -0.157 8.196 8.280 0.123 0.000 0.507 260 I N -2.604 117.957 120.570 -0.014 0.000 2.118 260 I HA -0.671 3.451 4.170 -0.079 0.000 0.241 260 I C 1.965 178.014 176.117 -0.113 0.000 1.070 260 I CA 4.417 65.688 61.300 -0.048 0.000 1.327 260 I CB -0.107 37.936 38.000 0.071 0.000 1.034 260 I HN -0.218 8.049 8.210 0.096 0.000 0.405 261 T N -1.743 112.756 114.554 -0.092 0.000 2.896 261 T HA -0.288 4.002 4.350 -0.099 0.000 0.263 261 T C 2.099 176.710 174.700 -0.149 0.000 1.050 261 T CA 3.998 66.024 62.100 -0.123 0.000 1.140 261 T CB -0.116 68.655 68.868 -0.162 0.000 0.877 261 T HN -0.623 7.576 8.240 -0.068 0.000 0.457 262 E N 2.220 122.314 120.200 -0.178 0.000 2.085 262 E HA -0.358 3.935 4.350 -0.096 0.000 0.194 262 E C 2.386 178.892 176.600 -0.157 0.000 0.994 262 E CA 3.186 59.496 56.400 -0.150 0.000 0.801 262 E CB -0.159 29.438 29.700 -0.171 0.000 0.743 262 E HN -0.204 8.044 8.360 -0.187 0.000 0.453 263 E N -1.601 118.409 120.200 -0.316 0.000 2.107 263 E HA -0.208 3.995 4.350 -0.245 0.000 0.191 263 E C 2.589 179.093 176.600 -0.159 0.000 0.982 263 E CA 2.179 58.407 56.400 -0.287 0.000 0.809 263 E CB -0.283 29.155 29.700 -0.436 0.000 0.756 263 E HN -0.593 7.520 8.360 -0.412 0.000 0.459 264 I N -0.201 120.290 120.570 -0.131 0.000 2.315 264 I HA -0.492 3.622 4.170 -0.094 0.000 0.248 264 I C 1.347 177.407 176.117 -0.094 0.000 1.117 264 I CA 3.561 64.802 61.300 -0.098 0.000 1.404 264 I CB 0.055 38.005 38.000 -0.083 0.000 1.071 264 I HN -0.609 7.512 8.210 -0.147 0.000 0.419 265 Y N 0.129 120.315 120.300 -0.190 0.000 2.114 265 Y HA -0.487 3.942 4.550 -0.202 0.000 0.282 265 Y C 1.794 177.620 175.900 -0.124 0.000 1.165 265 Y CA 3.057 61.049 58.100 -0.179 0.000 1.148 265 Y CB 0.008 38.359 38.460 -0.180 0.000 0.972 265 Y HN -0.442 7.844 8.280 0.010 0.000 0.504 266 K N -4.547 115.715 120.400 -0.231 0.000 2.365 266 K HA -0.224 3.806 4.320 -0.484 0.000 0.199 266 K C 1.453 177.898 176.600 -0.258 0.000 1.045 266 K CA 1.853 57.965 56.287 -0.291 0.000 0.962 266 K CB -0.209 32.231 32.500 -0.100 0.000 0.759 266 K HN -0.549 7.632 8.250 -0.076 0.023 0.469 267 T N -5.512 108.921 114.554 -0.202 0.000 2.881 267 T HA -0.202 4.074 4.350 -0.124 0.000 0.270 267 T C 1.450 176.042 174.700 -0.179 0.000 1.068 267 T CA 1.118 63.128 62.100 -0.150 0.000 1.131 267 T CB 0.469 69.274 68.868 -0.104 0.000 0.871 267 T HN -0.732 7.367 8.240 -0.184 0.030 0.479 268 G N 0.852 109.491 108.800 -0.267 0.000 2.179 268 G HA2 -0.368 3.407 3.960 -0.307 0.000 0.260 268 G HA3 -0.368 3.479 3.960 -0.188 0.000 0.260 268 G C -0.847 173.969 174.900 -0.141 0.000 0.977 268 G CA 0.815 45.776 45.100 -0.231 0.000 0.641 268 G HN -0.147 7.796 8.290 -0.349 0.138 0.533 269 L N -1.863 119.290 121.223 -0.116 0.000 2.966 269 L HA 0.216 4.518 4.340 -0.063 0.000 0.262 269 L C -0.910 175.926 176.870 -0.057 0.000 1.165 269 L CA -0.959 53.837 54.840 -0.072 0.000 0.978 269 L CB 0.899 42.924 42.059 -0.057 0.000 1.337 269 L HN -0.936 7.172 8.230 -0.138 0.040 0.563 270 L N -0.252 120.925 121.223 -0.077 0.000 2.513 270 L HA -0.235 4.075 4.340 -0.050 0.000 0.272 270 L C -0.502 176.349 176.870 -0.032 0.000 1.187 270 L CA 1.108 55.907 54.840 -0.068 0.000 0.895 270 L CB 0.431 42.406 42.059 -0.141 0.000 1.147 270 L HN -0.696 7.471 8.230 -0.104 0.000 0.483 271 S N 5.500 121.199 115.700 -0.002 0.000 2.663 271 S HA 0.154 4.598 4.470 -0.043 0.000 0.247 271 S C -0.711 173.774 174.600 -0.191 0.000 1.074 271 S CA 0.118 58.301 58.200 -0.027 0.000 0.955 271 S CB 2.588 65.840 63.200 0.087 0.000 0.901 271 S HN 0.882 9.206 8.310 0.023 0.000 0.505 272 G N 0.245 108.952 108.800 -0.155 0.000 2.706 272 G HA2 0.597 4.569 3.960 -0.227 0.000 0.297 272 G HA3 0.597 4.375 3.960 -0.303 0.000 0.297 272 G C -3.850 170.817 174.900 -0.388 0.000 1.403 272 G CA 0.141 45.075 45.100 -0.276 0.000 0.954 272 G HN -0.665 7.602 8.290 -0.039 0.000 0.500 273 L N 1.089 122.140 121.223 -0.287 0.000 2.455 273 L HA 1.072 5.425 4.340 -0.331 -0.211 0.264 273 L C -2.660 174.133 176.870 -0.129 0.000 0.968 273 L CA -1.158 53.545 54.840 -0.227 0.000 0.827 273 L CB 4.579 46.599 42.059 -0.065 0.000 1.317 273 L HN 0.587 8.709 8.230 -0.179 0.000 0.407 274 D N 5.620 125.968 120.400 -0.087 0.000 2.502 274 D HA 0.543 5.352 4.640 0.026 -0.153 0.249 274 D C -1.255 175.040 176.300 -0.008 0.000 1.092 274 D CA -0.801 53.202 54.000 0.005 0.000 0.839 274 D CB 3.345 44.191 40.800 0.076 0.000 1.264 274 D HN 0.165 8.465 8.370 -0.117 0.000 0.511 275 I N 4.287 124.852 120.570 -0.008 0.000 2.405 275 I HA 0.284 4.578 4.170 -0.002 -0.125 0.280 275 I C -1.777 174.329 176.117 -0.019 0.000 1.027 275 I CA -0.682 60.608 61.300 -0.018 0.000 1.161 275 I CB 1.158 39.135 38.000 -0.038 0.000 1.300 275 I HN 0.477 8.691 8.210 0.007 0.000 0.463 276 M N 5.981 125.543 119.600 -0.063 0.000 2.602 276 M HA 0.639 5.093 4.480 -0.043 0.000 0.312 276 M C -0.248 176.024 176.300 -0.047 0.000 1.181 276 M CA -3.018 52.215 55.300 -0.112 0.000 0.910 276 M CB 3.077 35.423 32.600 -0.423 0.000 1.723 276 M HN 0.297 8.557 8.290 -0.050 0.000 0.459 277 E N -3.901 116.308 120.200 0.015 0.000 3.413 277 E HA -0.434 3.970 4.350 0.091 0.000 0.300 277 E C -1.143 175.502 176.600 0.075 0.000 0.891 277 E CA 1.386 57.829 56.400 0.071 0.000 1.050 277 E CB -1.478 28.285 29.700 0.105 0.000 1.534 277 E HN 0.240 8.615 8.360 0.025 0.000 0.436 278 V N -0.843 119.108 119.914 0.061 0.000 2.485 278 V HA -0.233 4.047 4.120 0.069 -0.118 0.287 278 V C -0.944 175.183 176.094 0.055 0.000 1.022 278 V CA 1.063 63.399 62.300 0.061 0.000 1.067 278 V CB -0.291 31.562 31.823 0.050 0.000 0.967 278 V HN -0.246 7.912 8.190 0.051 0.063 0.479 279 N N 8.085 126.817 118.700 0.054 0.000 2.682 279 N HA 0.482 5.244 4.740 0.038 0.000 0.252 279 N C -1.737 173.796 175.510 0.038 0.000 1.081 279 N CA -3.088 49.987 53.050 0.042 0.000 0.844 279 N CB 2.122 40.634 38.487 0.042 0.000 1.167 279 N HN 0.191 8.607 8.380 0.060 0.000 0.523 280 P HA -0.233 4.207 4.420 0.033 0.000 0.218 280 P C 1.049 178.364 177.300 0.024 0.000 1.148 280 P CA 2.200 65.317 63.100 0.030 0.000 0.822 280 P CB 0.159 31.875 31.700 0.027 0.000 0.784 281 S N -1.441 114.272 115.700 0.021 0.000 2.500 281 S HA -0.243 4.236 4.470 0.015 0.000 0.239 281 S C 0.973 175.583 174.600 0.017 0.000 0.989 281 S CA 2.778 60.987 58.200 0.016 0.000 0.951 281 S CB -0.692 62.514 63.200 0.010 0.000 0.759 281 S HN -0.257 8.258 8.310 0.021 -0.193 0.523 282 L N -1.095 120.141 121.223 0.022 0.000 2.567 282 L HA 0.131 4.484 4.340 0.020 0.000 0.225 282 L C 0.957 177.843 176.870 0.026 0.000 1.119 282 L CA -0.166 54.689 54.840 0.024 0.000 0.871 282 L CB 0.336 42.414 42.059 0.032 0.000 1.036 282 L HN -0.786 7.412 8.230 0.025 0.047 0.459 283 G N -0.389 108.427 108.800 0.026 0.000 2.414 283 G HA2 -0.114 3.974 3.960 0.026 0.000 0.236 283 G HA3 -0.114 3.861 3.960 0.024 0.000 0.236 283 G C -0.769 174.141 174.900 0.017 0.000 1.293 283 G CA -0.237 44.878 45.100 0.024 0.000 0.869 283 G HN -0.650 7.551 8.290 0.027 0.105 0.556 284 K N 2.171 122.580 120.400 0.014 0.000 2.228 284 K HA -0.097 4.229 4.320 0.011 0.000 0.202 284 K C -0.008 176.597 176.600 0.008 0.000 1.051 284 K CA 1.279 57.573 56.287 0.010 0.000 0.960 284 K CB 0.188 32.693 32.500 0.007 0.000 0.743 284 K HN -0.024 8.587 8.250 0.015 -0.352 0.458 285 T N -5.399 109.160 114.554 0.008 0.000 2.883 285 T HA 0.392 4.746 4.350 0.007 0.000 0.296 285 T C -1.993 172.712 174.700 0.010 0.000 1.117 285 T CA -3.833 58.272 62.100 0.007 0.000 1.006 285 T CB 1.532 70.402 68.868 0.004 0.000 1.191 285 T HN -0.798 7.420 8.240 0.010 0.027 0.508 286 P HA -0.249 4.178 4.420 0.012 0.000 0.217 286 P C 1.204 178.512 177.300 0.012 0.000 1.148 286 P CA 2.342 65.449 63.100 0.011 0.000 0.828 286 P CB 0.115 31.820 31.700 0.008 0.000 0.783 287 E N -2.992 117.214 120.200 0.009 0.000 2.152 287 E HA -0.231 4.126 4.350 0.012 0.000 0.192 287 E C 2.312 178.920 176.600 0.014 0.000 0.983 287 E CA 3.027 59.433 56.400 0.010 0.000 0.818 287 E CB -0.576 29.126 29.700 0.003 0.000 0.758 287 E HN 0.541 8.885 8.360 0.007 0.021 0.467 288 E N -0.209 119.999 120.200 0.014 0.000 2.110 288 E HA -0.339 4.023 4.350 0.019 0.000 0.193 288 E C 2.235 178.855 176.600 0.032 0.000 0.988 288 E CA 3.016 59.428 56.400 0.020 0.000 0.804 288 E CB -0.151 29.559 29.700 0.017 0.000 0.745 288 E HN -0.799 7.567 8.360 0.011 0.000 0.458 289 V N -1.274 118.657 119.914 0.029 0.000 2.261 289 V HA -0.388 3.754 4.120 0.037 0.000 0.246 289 V C 2.136 178.252 176.094 0.037 0.000 1.047 289 V CA 4.278 66.597 62.300 0.033 0.000 1.015 289 V CB -0.777 31.062 31.823 0.026 0.000 0.642 289 V HN -0.798 7.406 8.190 0.024 0.000 0.446 290 T N -2.783 111.790 114.554 0.031 0.000 2.788 290 T HA -0.411 3.959 4.350 0.034 0.000 0.268 290 T C 1.773 176.502 174.700 0.048 0.000 1.044 290 T CA 4.014 66.134 62.100 0.034 0.000 1.139 290 T CB -0.412 68.471 68.868 0.025 0.000 0.867 290 T HN -0.442 7.814 8.240 0.026 0.000 0.454 291 R N 1.703 122.233 120.500 0.051 0.000 2.073 291 R HA -0.361 4.025 4.340 0.077 0.000 0.234 291 R C 2.133 178.498 176.300 0.108 0.000 1.134 291 R CA 4.129 60.274 56.100 0.075 0.000 0.952 291 R CB -0.008 30.328 30.300 0.059 0.000 0.850 291 R HN -0.100 8.182 8.270 0.041 0.013 0.433 292 T N 2.521 117.129 114.554 0.091 0.000 2.674 292 T HA -0.346 4.082 4.350 0.130 0.000 0.265 292 T C 1.937 176.688 174.700 0.085 0.000 1.039 292 T CA 4.799 66.959 62.100 0.101 0.000 1.150 292 T CB -0.065 68.853 68.868 0.082 0.000 0.864 292 T HN -0.441 7.843 8.240 0.073 0.000 0.427 293 V N 1.395 121.347 119.914 0.063 0.000 2.343 293 V HA -0.489 3.654 4.120 0.039 0.000 0.247 293 V C 1.943 178.065 176.094 0.047 0.000 1.051 293 V CA 4.423 66.751 62.300 0.046 0.000 1.036 293 V CB -0.732 31.112 31.823 0.036 0.000 0.654 293 V HN -0.038 8.187 8.190 0.059 0.000 0.451 294 N N -0.377 118.362 118.700 0.064 0.000 2.188 294 N HA -0.213 4.558 4.740 0.052 0.000 0.184 294 N C 2.641 178.216 175.510 0.107 0.000 1.018 294 N CA 3.244 56.338 53.050 0.074 0.000 0.858 294 N CB -0.367 38.165 38.487 0.076 0.000 0.989 294 N HN -0.020 8.401 8.380 0.068 0.000 0.426 295 T N 3.472 118.118 114.554 0.152 0.000 2.708 295 T HA -0.386 4.115 4.350 0.252 0.000 0.266 295 T C 1.203 175.898 174.700 -0.009 0.000 1.037 295 T CA 4.840 67.041 62.100 0.168 0.000 1.146 295 T CB -0.067 68.958 68.868 0.262 0.000 0.865 295 T HN -0.381 7.950 8.240 0.152 0.000 0.435 296 A N 1.374 124.187 122.820 -0.012 0.000 1.908 296 A HA -0.266 3.949 4.320 -0.175 0.000 0.218 296 A C 2.021 179.539 177.584 -0.111 0.000 1.181 296 A CA 3.295 55.275 52.037 -0.094 0.000 0.627 296 A CB -0.881 18.095 19.000 -0.041 0.000 0.818 296 A HN -0.253 7.916 8.150 0.033 0.000 0.445 297 V N -1.145 118.740 119.914 -0.049 0.000 2.295 297 V HA -0.495 3.599 4.120 -0.045 0.000 0.246 297 V C 1.967 178.022 176.094 -0.064 0.000 1.049 297 V CA 3.561 65.836 62.300 -0.041 0.000 1.024 297 V CB -1.024 30.794 31.823 -0.009 0.000 0.648 297 V HN -0.057 8.122 8.190 -0.018 0.000 0.447 298 A N 0.075 122.857 122.820 -0.062 0.000 1.902 298 A HA -0.382 3.904 4.320 -0.057 0.000 0.217 298 A C 2.206 179.677 177.584 -0.187 0.000 1.181 298 A CA 3.299 55.282 52.037 -0.091 0.000 0.623 298 A CB -0.761 18.200 19.000 -0.064 0.000 0.818 298 A HN -0.271 7.859 8.150 -0.033 0.000 0.443 299 I N -2.095 118.310 120.570 -0.276 0.000 2.226 299 I HA -0.411 3.537 4.170 -0.370 0.000 0.245 299 I C 2.117 178.045 176.117 -0.316 0.000 1.100 299 I CA 3.868 64.934 61.300 -0.389 0.000 1.374 299 I CB -0.678 36.938 38.000 -0.639 0.000 1.057 299 I HN -0.338 7.712 8.210 -0.265 0.000 0.413 300 T N 1.998 116.415 114.554 -0.229 0.000 2.708 300 T HA -0.360 3.913 4.350 -0.128 0.000 0.266 300 T C 2.042 176.747 174.700 0.008 0.000 1.037 300 T CA 4.674 66.718 62.100 -0.095 0.000 1.146 300 T CB -0.016 68.839 68.868 -0.021 0.000 0.865 300 T HN -0.553 7.542 8.240 -0.223 0.012 0.435 301 L N -0.272 120.938 121.223 -0.022 0.000 2.131 301 L HA -0.426 3.964 4.340 0.084 0.000 0.210 301 L C 2.026 178.847 176.870 -0.081 0.000 1.092 301 L CA 2.911 57.751 54.840 0.001 0.000 0.759 301 L CB -0.693 41.346 42.059 -0.035 0.000 0.903 301 L HN -0.082 8.114 8.230 -0.058 0.000 0.435 302 A N -0.236 122.493 122.820 -0.152 0.000 1.933 302 A HA -0.127 4.248 4.320 -0.220 -0.188 0.218 302 A C 2.648 180.071 177.584 -0.269 0.000 1.175 302 A CA 2.623 54.534 52.037 -0.211 0.000 0.628 302 A CB -0.940 17.942 19.000 -0.197 0.000 0.814 302 A HN -0.266 7.776 8.150 -0.151 0.017 0.444 303 C N -3.575 115.539 119.300 -0.309 0.000 2.422 303 C HA -0.198 4.049 4.460 -0.356 0.000 0.286 303 C C 0.057 174.616 174.990 -0.718 0.000 1.412 303 C CA 2.643 61.354 59.018 -0.511 0.000 1.786 303 C CB -1.976 25.336 27.740 -0.714 0.000 1.835 303 C HN -0.488 7.493 8.230 -0.269 0.087 0.533 304 F N -3.719 116.129 119.950 -0.171 0.000 2.764 304 F HA 0.074 4.606 4.527 0.007 0.000 0.310 304 F C -0.795 174.675 175.800 -0.551 0.000 1.124 304 F CA -1.215 56.678 58.000 -0.178 0.000 1.252 304 F CB 0.133 39.078 39.000 -0.092 0.000 1.010 304 F HN -0.744 7.268 8.300 -0.202 0.167 0.518 305 G N -2.675 105.545 108.800 -0.967 0.000 2.192 305 G HA2 -0.347 2.075 3.960 -2.564 0.000 0.193 305 G HA3 -0.347 2.826 3.960 -1.311 0.000 0.193 305 G C -1.020 173.523 174.900 -0.595 0.000 0.999 305 G CA -0.436 43.791 45.100 -1.456 0.000 0.659 305 G HN -0.648 7.076 8.290 -0.762 0.108 0.503 306 L N 1.579 122.596 121.223 -0.343 0.000 2.477 306 L HA -0.174 4.207 4.340 -0.166 -0.140 0.272 306 L C -1.812 174.955 176.870 -0.172 0.000 1.157 306 L CA 0.265 54.989 54.840 -0.192 0.000 0.889 306 L CB 0.263 42.250 42.059 -0.120 0.000 1.158 306 L HN -0.701 7.338 8.230 -0.318 0.000 0.473 307 A N 6.143 128.892 122.820 -0.118 0.000 2.342 307 A HA 0.514 4.788 4.320 -0.077 0.000 0.323 307 A C 0.191 177.757 177.584 -0.030 0.000 1.125 307 A CA -1.468 50.526 52.037 -0.071 0.000 0.785 307 A CB 2.561 21.529 19.000 -0.054 0.000 1.221 307 A HN 0.485 8.882 8.150 -0.106 -0.311 0.463 308 R N 3.740 124.236 120.500 -0.007 0.000 2.148 308 R HA -0.332 4.017 4.340 0.015 0.000 0.227 308 R C 1.102 177.415 176.300 0.021 0.000 1.103 308 R CA 2.340 58.450 56.100 0.016 0.000 0.983 308 R CB -0.044 30.277 30.300 0.036 0.000 0.874 308 R HN 0.252 8.736 8.270 -0.008 -0.219 0.451 309 E N -2.756 117.457 120.200 0.021 0.000 2.347 309 E HA -0.110 4.258 4.350 0.030 0.000 0.196 309 E C -0.058 176.558 176.600 0.026 0.000 1.008 309 E CA -0.237 56.179 56.400 0.027 0.000 0.852 309 E CB -0.255 29.463 29.700 0.031 0.000 0.783 309 E HN -0.132 8.212 8.360 0.018 0.026 0.505 310 G N -0.197 108.612 108.800 0.015 0.000 2.479 310 G HA2 -0.244 3.724 3.960 0.013 0.000 0.686 310 G HA3 -0.244 3.736 3.960 0.034 0.000 0.686 310 G C -2.145 172.755 174.900 0.000 0.000 1.295 310 G CA -0.806 44.305 45.100 0.018 0.000 0.922 310 G HN -0.479 7.639 8.290 0.006 0.176 0.582 311 N N -0.989 117.713 118.700 0.004 0.000 2.264 311 N HA 0.142 4.827 4.740 -0.092 0.000 0.288 311 N C -1.804 173.721 175.510 0.026 0.000 1.094 311 N CA -0.720 52.307 53.050 -0.039 0.000 0.817 311 N CB 1.810 40.270 38.487 -0.046 0.000 1.604 311 N HN -0.028 8.368 8.380 0.027 0.000 0.473 312 H N -0.938 118.135 119.070 0.006 0.000 3.012 312 H HA 0.588 5.146 4.556 0.003 0.000 0.367 312 H C -0.900 174.434 175.328 0.009 0.000 1.211 312 H CA -0.832 55.220 56.048 0.006 0.000 1.139 312 H CB 0.975 30.741 29.762 0.007 0.000 1.838 312 H HN 0.130 8.227 8.280 -0.306 0.000 0.550 313 K N 0.000 120.514 120.400 0.190 0.000 2.780 313 K HA 0.000 4.364 4.320 0.074 0.000 0.191 313 K CA 0.000 56.365 56.287 0.130 0.000 0.838 313 K CB 0.000 32.543 32.500 0.072 0.000 1.064 313 K HN 0.000 8.360 8.250 0.183 0.000 0.543