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 2ge4_1_A DATA FIRST_RESID 0 DATA SEQUENCE MAPKDNTWYT GAKLGFSQYH DTGFINNNGP THENQLGAGA FGGYQVNPYV DATA SEQUENCE GFEMGYDFLG RMPYKGSVEN GAYKAQGVQL TAKLGYPITD DLDIYTRLGG DATA SEQUENCE MVFRADTKSN VYGKNHDTGV SPVFAGGVEY AITPEIATRL EYQFTNNIGD DATA SEQUENCE AHTIGTRPDN GMLSLGVSYR FGQGEAA 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 0 M HA 0.000 4.463 4.480 -0.029 0.000 0.227 0 M C 0.000 176.283 176.300 -0.029 0.000 1.140 0 M CA 0.000 55.283 55.300 -0.028 0.000 0.988 0 M CB 0.000 32.590 32.600 -0.017 0.000 1.302 1 A N 2.557 125.362 122.820 -0.025 0.000 2.386 1 A HA 0.246 4.555 4.320 -0.018 0.000 0.248 1 A C -1.242 176.319 177.584 -0.039 0.000 1.082 1 A CA -0.973 51.050 52.037 -0.023 0.000 0.789 1 A CB -0.351 18.642 19.000 -0.012 0.000 1.025 1 A HN -0.097 8.039 8.150 -0.022 0.000 0.490 2 P HA 0.043 4.418 4.420 -0.074 0.000 0.275 2 P C -1.888 175.382 177.300 -0.050 0.000 1.270 2 P CA -0.442 62.619 63.100 -0.065 0.000 0.791 2 P CB 0.768 32.410 31.700 -0.097 0.000 1.089 3 K N -1.318 119.050 120.400 -0.054 0.000 2.306 3 K HA 0.320 4.623 4.320 -0.028 0.000 0.236 3 K C -2.072 174.524 176.600 -0.007 0.000 1.013 3 K CA -1.229 55.036 56.287 -0.037 0.000 0.857 3 K CB 2.658 35.120 32.500 -0.062 0.000 1.214 3 K HN -0.081 8.130 8.250 -0.066 0.000 0.449 4 D N -3.090 117.322 120.400 0.020 0.000 2.602 4 D HA -0.028 4.657 4.640 0.076 0.000 0.236 4 D C -1.047 175.310 176.300 0.094 0.000 1.209 4 D CA -0.511 53.526 54.000 0.062 0.000 0.831 4 D CB 2.282 43.119 40.800 0.061 0.000 1.478 4 D HN -0.241 8.136 8.370 0.011 0.000 0.438 5 N N -1.473 117.315 118.700 0.146 0.000 2.783 5 N HA -0.416 4.494 4.740 0.224 -0.035 0.247 5 N C -1.737 173.938 175.510 0.274 0.000 1.089 5 N CA 1.347 54.517 53.050 0.199 0.000 0.690 5 N CB -1.003 37.576 38.487 0.153 0.000 0.991 5 N HN 0.186 8.477 8.380 0.155 0.182 0.552 6 T N -5.721 108.986 114.554 0.257 0.000 2.910 6 T HA 0.354 4.930 4.350 0.377 0.000 0.287 6 T C -1.679 173.188 174.700 0.279 0.000 1.050 6 T CA -1.297 60.924 62.100 0.203 0.000 1.011 6 T CB 2.316 71.121 68.868 -0.105 0.000 1.195 6 T HN -0.164 8.215 8.240 0.231 0.000 0.540 7 W N -2.588 118.629 121.300 -0.137 0.000 2.902 7 W HA 0.691 5.012 4.660 -0.747 -0.109 0.346 7 W C -2.723 173.690 176.519 -0.178 0.000 1.139 7 W CA -1.917 55.083 57.345 -0.574 0.000 1.139 7 W CB 2.842 31.592 29.460 -1.183 0.000 1.439 7 W HN -0.063 7.719 8.180 -0.663 0.000 0.558 8 Y N -6.134 114.071 120.300 -0.158 0.000 2.624 8 Y HA 0.951 5.538 4.550 -0.121 -0.109 0.334 8 Y C -1.715 174.157 175.900 -0.046 0.000 1.155 8 Y CA -1.788 56.251 58.100 -0.102 0.000 1.046 8 Y CB 2.737 41.136 38.460 -0.100 0.000 1.316 8 Y HN 0.866 8.678 8.280 -0.779 0.000 0.457 9 T N -2.288 112.317 114.554 0.086 0.000 2.894 9 T HA 0.383 4.749 4.350 -0.142 -0.100 0.309 9 T C -1.486 173.132 174.700 -0.136 0.000 1.208 9 T CA -1.262 60.792 62.100 -0.076 0.000 1.016 9 T CB 3.251 72.073 68.868 -0.077 0.000 1.192 9 T HN 0.627 8.962 8.240 0.159 0.000 0.491 10 G N 0.246 108.797 108.800 -0.416 0.000 2.494 10 G HA2 0.622 4.508 3.960 -0.123 0.000 0.308 10 G HA3 0.622 4.569 3.960 -0.379 -0.214 0.308 10 G C -3.541 171.097 174.900 -0.438 0.000 1.263 10 G CA 0.419 45.297 45.100 -0.369 0.000 0.840 10 G HN 0.908 8.778 8.290 -0.535 0.100 0.479 11 A N -2.236 120.497 122.820 -0.145 0.000 2.454 11 A HA 0.593 4.993 4.320 0.133 0.000 0.302 11 A C -2.714 175.108 177.584 0.398 0.000 1.079 11 A CA -1.254 50.848 52.037 0.107 0.000 0.731 11 A CB 3.500 22.527 19.000 0.045 0.000 1.299 11 A HN 0.207 8.337 8.150 -0.034 0.000 0.413 12 K N -1.834 118.804 120.400 0.398 0.000 2.469 12 K HA 0.425 4.895 4.320 0.250 0.000 0.254 12 K C -1.913 174.758 176.600 0.119 0.000 0.939 12 K CA -1.390 55.054 56.287 0.260 0.000 0.812 12 K CB 3.176 35.740 32.500 0.108 0.000 1.301 12 K HN 0.449 8.788 8.250 0.333 0.111 0.433 13 L N -3.370 117.895 121.223 0.070 0.000 2.516 13 L HA 0.934 5.476 4.340 0.050 -0.172 0.267 13 L C -1.193 175.707 176.870 0.050 0.000 0.957 13 L CA -0.747 54.127 54.840 0.058 0.000 0.860 13 L CB 3.219 45.319 42.059 0.069 0.000 1.265 13 L HN 0.530 8.684 8.230 0.061 0.113 0.403 14 G N 0.831 109.657 108.800 0.043 0.000 2.708 14 G HA2 0.869 4.895 3.960 0.125 0.000 0.289 14 G HA3 0.869 4.821 3.960 -0.107 -0.056 0.289 14 G C -3.088 171.882 174.900 0.117 0.000 1.416 14 G CA -0.318 44.801 45.100 0.031 0.000 0.829 14 G HN 0.597 8.909 8.290 0.037 0.000 0.480 15 F N -4.920 115.029 119.950 -0.003 0.000 2.546 15 F HA 1.046 5.794 4.527 0.002 -0.220 0.320 15 F C -2.120 173.690 175.800 0.018 0.000 1.076 15 F CA -3.947 54.058 58.000 0.008 0.000 0.928 15 F CB 2.949 41.958 39.000 0.015 0.000 1.189 15 F HN 0.896 8.796 8.300 -0.516 0.091 0.465 16 S N -0.145 115.622 115.700 0.110 0.000 2.513 16 S HA 0.379 4.818 4.470 -0.052 0.000 0.299 16 S C 0.096 174.768 174.600 0.121 0.000 1.087 16 S CA -1.270 56.955 58.200 0.043 0.000 1.012 16 S CB 3.341 66.565 63.200 0.040 0.000 1.044 16 S HN 0.261 8.564 8.310 0.174 0.111 0.485 17 Q N 3.632 123.492 119.800 0.099 0.000 1.990 17 Q HA -0.216 4.531 4.340 0.149 -0.318 0.200 17 Q C -1.555 174.558 176.000 0.190 0.000 0.980 17 Q CA 2.809 58.690 55.803 0.129 0.000 0.832 17 Q CB 1.318 30.102 28.738 0.077 0.000 0.897 17 Q HN 0.567 8.863 8.270 0.042 0.000 0.427 18 Y N -4.464 115.849 120.300 0.021 0.000 2.470 18 Y HA 0.067 4.653 4.550 0.061 0.000 0.341 18 Y C -1.626 174.304 175.900 0.051 0.000 1.021 18 Y CA -0.566 57.556 58.100 0.037 0.000 1.025 18 Y CB 1.795 40.260 38.460 0.008 0.000 1.266 18 Y HN -0.423 7.955 8.280 0.162 0.000 0.448 19 H N 5.442 124.156 119.070 -0.595 0.000 2.499 19 H HA 0.232 4.668 4.556 -0.199 0.000 0.352 19 H C -0.594 174.489 175.328 -0.409 0.000 1.237 19 H CA -0.353 55.461 56.048 -0.390 0.000 1.343 19 H CB 2.158 31.733 29.762 -0.311 0.000 1.578 19 H HN -0.071 7.763 8.280 -0.743 0.000 0.577 20 D N -0.146 119.951 120.400 -0.505 0.000 2.706 20 D HA 0.082 4.693 4.640 -0.048 0.000 0.236 20 D C -0.664 175.613 176.300 -0.039 0.000 1.231 20 D CA -0.927 52.953 54.000 -0.199 0.000 0.828 20 D CB -0.147 40.520 40.800 -0.223 0.000 1.015 20 D HN 0.211 7.811 8.370 -1.283 0.000 0.484 21 T N -3.305 111.273 114.554 0.041 0.000 2.860 21 T HA 0.013 4.437 4.350 0.124 0.000 0.299 21 T C 0.380 175.128 174.700 0.081 0.000 1.045 21 T CA -0.196 61.960 62.100 0.094 0.000 1.071 21 T CB 0.602 69.508 68.868 0.065 0.000 0.985 21 T HN -0.746 7.370 8.240 -0.042 0.099 0.537 22 G N 1.004 109.872 108.800 0.113 0.000 2.724 22 G HA2 -0.061 3.966 3.960 0.112 0.000 0.205 22 G HA3 -0.061 3.977 3.960 0.130 0.000 0.205 22 G C -0.958 174.051 174.900 0.181 0.000 1.112 22 G CA 0.065 45.245 45.100 0.132 0.000 0.793 22 G HN 0.273 8.636 8.290 0.121 0.000 0.526 23 F N 3.246 123.207 119.950 0.019 0.000 2.377 23 F HA 0.208 4.747 4.527 0.021 0.000 0.360 23 F C -1.527 174.282 175.800 0.014 0.000 1.147 23 F CA -0.939 57.070 58.000 0.015 0.000 1.170 23 F CB 0.080 39.084 39.000 0.006 0.000 1.339 23 F HN -0.433 8.033 8.300 0.276 0.000 0.552 24 I N 5.787 126.228 120.570 -0.215 0.000 2.378 24 I HA 0.159 4.278 4.170 -0.085 0.000 0.291 24 I C -0.818 175.135 176.117 -0.273 0.000 0.992 24 I CA -0.221 60.985 61.300 -0.156 0.000 1.154 24 I CB 0.964 38.944 38.000 -0.033 0.000 1.315 24 I HN 0.028 8.093 8.210 -0.242 0.000 0.448 25 N N 5.346 123.932 118.700 -0.189 0.000 2.527 25 N HA 0.066 4.707 4.740 -0.164 0.000 0.279 25 N C -1.770 173.699 175.510 -0.069 0.000 1.571 25 N CA -0.338 52.612 53.050 -0.167 0.000 0.858 25 N CB 1.176 39.524 38.487 -0.232 0.000 1.422 25 N HN 0.412 8.725 8.380 -0.112 0.000 0.491 26 N N -0.611 118.066 118.700 -0.039 0.000 2.242 26 N HA 0.183 4.915 4.740 -0.013 0.000 0.292 26 N C -0.762 174.750 175.510 0.003 0.000 1.125 26 N CA 0.049 53.092 53.050 -0.011 0.000 0.783 26 N CB 1.585 40.071 38.487 -0.002 0.000 1.558 26 N HN -0.207 8.149 8.380 -0.040 0.000 0.472 27 N N 1.270 119.973 118.700 0.005 0.000 2.333 27 N HA -0.024 4.725 4.740 0.015 0.000 0.178 27 N C -0.396 175.130 175.510 0.026 0.000 1.018 27 N CA -0.020 53.037 53.050 0.011 0.000 0.882 27 N CB 0.515 39.001 38.487 -0.001 0.000 0.984 27 N HN 0.368 8.748 8.380 0.001 0.000 0.434 28 G N -1.835 106.979 108.800 0.023 0.000 2.674 28 G HA2 -0.072 3.910 3.960 0.036 0.000 0.686 28 G HA3 -0.072 3.922 3.960 0.056 0.000 0.686 28 G C -1.975 172.937 174.900 0.020 0.000 1.195 28 G CA -0.849 44.272 45.100 0.035 0.000 0.776 28 G HN -0.662 7.636 8.290 0.015 0.000 0.654 29 P HA -0.063 4.358 4.420 0.003 0.000 0.215 29 P C -0.241 177.062 177.300 0.005 0.000 1.157 29 P CA 1.171 64.277 63.100 0.010 0.000 0.856 29 P CB 0.735 32.442 31.700 0.011 0.000 0.786 30 T N -5.720 108.848 114.554 0.023 0.000 3.400 30 T HA 0.033 4.375 4.350 -0.014 0.000 0.228 30 T C 0.228 174.951 174.700 0.039 0.000 0.992 30 T CA 0.480 62.591 62.100 0.019 0.000 1.222 30 T CB 0.496 69.384 68.868 0.035 0.000 1.236 30 T HN -0.118 8.148 8.240 0.043 0.000 0.357 31 H N 1.011 120.092 119.070 0.018 0.000 2.039 31 H HA 0.193 4.763 4.556 0.023 0.000 0.141 31 H C -1.475 173.883 175.328 0.050 0.000 1.103 31 H CA 0.727 56.791 56.048 0.027 0.000 1.115 31 H CB 1.589 31.362 29.762 0.019 0.000 0.802 31 H HN -0.007 8.367 8.280 0.157 0.000 0.282 32 E N -1.172 119.145 120.200 0.194 0.000 2.551 32 E HA 0.283 4.730 4.350 0.161 0.000 0.321 32 E C -1.896 174.779 176.600 0.126 0.000 0.975 32 E CA 0.635 57.117 56.400 0.137 0.000 0.784 32 E CB 1.639 31.387 29.700 0.079 0.000 1.493 32 E HN 0.095 8.571 8.360 0.194 0.000 0.385 33 N N 1.903 120.678 118.700 0.125 0.000 3.343 33 N HA 0.123 5.198 4.740 0.187 -0.222 0.225 33 N C -1.708 173.868 175.510 0.111 0.000 1.096 33 N CA 0.424 53.558 53.050 0.141 0.000 1.040 33 N CB 2.188 40.740 38.487 0.108 0.000 1.611 33 N HN 0.101 8.550 8.380 0.116 0.000 0.689 34 Q N 3.388 123.263 119.800 0.124 0.000 2.327 34 Q HA 0.376 4.749 4.340 0.055 0.000 0.270 34 Q C -1.205 174.860 176.000 0.109 0.000 1.022 34 Q CA -1.319 54.529 55.803 0.076 0.000 0.773 34 Q CB 3.186 31.935 28.738 0.019 0.000 1.251 34 Q HN 0.676 8.928 8.270 0.155 0.111 0.457 35 L N 5.470 126.750 121.223 0.094 0.000 2.331 35 L HA 0.277 4.893 4.340 0.191 -0.161 0.278 35 L C 0.303 177.208 176.870 0.058 0.000 1.106 35 L CA -0.302 54.605 54.840 0.113 0.000 0.824 35 L CB 0.699 42.807 42.059 0.083 0.000 1.142 35 L HN 0.587 8.855 8.230 0.063 0.000 0.443 36 G N 2.973 111.808 108.800 0.058 0.000 2.620 36 G HA2 0.417 4.385 3.960 0.013 0.000 0.301 36 G HA3 0.417 4.380 3.960 0.005 0.000 0.301 36 G C -2.894 172.024 174.900 0.031 0.000 1.347 36 G CA -0.755 44.359 45.100 0.023 0.000 0.971 36 G HN 0.908 9.134 8.290 0.086 0.115 0.488 37 A N 0.320 123.156 122.820 0.026 0.000 2.384 37 A HA 0.986 5.460 4.320 0.047 -0.125 0.312 37 A C -1.497 176.114 177.584 0.045 0.000 1.113 37 A CA -1.757 50.304 52.037 0.040 0.000 0.779 37 A CB 2.962 21.985 19.000 0.037 0.000 1.307 37 A HN 0.255 8.415 8.150 0.016 0.000 0.436 38 G N -2.410 106.435 108.800 0.075 0.000 2.489 38 G HA2 0.382 4.474 3.960 0.108 0.000 0.305 38 G HA3 0.382 4.533 3.960 0.094 -0.134 0.305 38 G C -3.042 171.960 174.900 0.170 0.000 1.311 38 G CA 0.752 45.916 45.100 0.108 0.000 0.813 38 G HN 0.152 8.492 8.290 0.083 0.000 0.480 39 A N -1.947 121.013 122.820 0.234 0.000 2.454 39 A HA 0.722 5.177 4.320 0.224 0.000 0.302 39 A C -2.828 174.993 177.584 0.395 0.000 1.079 39 A CA -1.799 50.386 52.037 0.246 0.000 0.731 39 A CB 3.623 22.700 19.000 0.129 0.000 1.299 39 A HN 0.330 8.621 8.150 0.236 0.000 0.413 40 F N -3.551 116.470 119.950 0.119 0.000 2.713 40 F HA 0.395 5.055 4.527 0.153 -0.041 0.311 40 F C -2.883 172.996 175.800 0.132 0.000 1.141 40 F CA -1.230 56.850 58.000 0.134 0.000 0.939 40 F CB 2.508 41.581 39.000 0.121 0.000 1.325 40 F HN 0.671 8.941 8.300 -0.049 0.000 0.453 41 G N -2.994 105.907 108.800 0.170 0.000 2.677 41 G HA2 0.727 4.664 3.960 -0.107 0.000 0.291 41 G HA3 0.727 4.684 3.960 -0.005 0.000 0.291 41 G C -3.127 171.789 174.900 0.028 0.000 1.435 41 G CA -0.567 44.540 45.100 0.012 0.000 0.826 41 G HN 0.790 9.181 8.290 0.348 0.108 0.491 42 G N -2.854 105.618 108.800 -0.548 0.000 2.660 42 G HA2 0.809 4.768 3.960 0.027 0.000 0.290 42 G HA3 0.809 4.526 3.960 -0.525 -0.072 0.290 42 G C -3.325 170.832 174.900 -1.237 0.000 1.432 42 G CA -0.285 44.401 45.100 -0.691 0.000 0.807 42 G HN 0.484 8.131 8.290 -0.872 0.120 0.485 43 Y N -2.395 117.700 120.300 -0.341 0.000 2.376 43 Y HA 0.431 5.093 4.550 0.014 -0.104 0.340 43 Y C -1.257 174.852 175.900 0.347 0.000 0.965 43 Y CA -1.854 56.274 58.100 0.047 0.000 1.078 43 Y CB 3.509 42.055 38.460 0.143 0.000 1.193 43 Y HN 0.388 8.778 8.280 0.354 0.102 0.452 44 Q N 2.846 122.960 119.800 0.523 0.000 2.278 44 Q HA 0.165 4.767 4.340 0.437 0.000 0.257 44 Q C -0.727 175.450 176.000 0.295 0.000 0.928 44 Q CA 0.186 56.233 55.803 0.406 0.000 0.932 44 Q CB 1.201 30.113 28.738 0.289 0.000 1.221 44 Q HN 1.047 9.464 8.270 0.449 0.122 0.434 45 V N 6.360 126.425 119.914 0.252 0.000 2.685 45 V HA -0.106 4.124 4.120 0.184 0.000 0.244 45 V C 0.298 176.474 176.094 0.137 0.000 1.054 45 V CA 1.668 64.078 62.300 0.183 0.000 1.076 45 V CB 0.869 32.787 31.823 0.159 0.000 0.725 45 V HN 0.164 8.518 8.190 0.273 0.000 0.467 46 N N -3.027 115.751 118.700 0.131 0.000 3.106 46 N HA 0.361 5.148 4.740 0.079 0.000 0.253 46 N C -2.615 172.923 175.510 0.046 0.000 1.506 46 N CA -2.024 51.081 53.050 0.092 0.000 0.876 46 N CB 0.945 39.495 38.487 0.105 0.000 1.452 46 N HN -0.455 8.018 8.380 0.156 0.000 0.542 47 P HA -0.011 4.280 4.420 -0.216 0.000 0.222 47 P C -0.977 175.992 177.300 -0.552 0.000 1.147 47 P CA 1.691 64.630 63.100 -0.269 0.000 0.790 47 P CB 0.723 32.236 31.700 -0.312 0.000 0.780 48 Y N -7.225 113.012 120.300 -0.105 0.000 2.563 48 Y HA 0.244 4.729 4.550 -0.355 -0.149 0.250 48 Y C -0.846 174.977 175.900 -0.129 0.000 1.126 48 Y CA -1.503 56.451 58.100 -0.243 0.000 1.231 48 Y CB 1.279 39.524 38.460 -0.358 0.000 1.288 48 Y HN -0.480 7.832 8.280 0.119 0.039 0.537 49 V N -4.353 115.628 119.914 0.113 0.000 2.524 49 V HA 0.555 4.759 4.120 0.140 0.000 0.297 49 V C -1.741 174.480 176.094 0.211 0.000 1.035 49 V CA -1.545 60.844 62.300 0.148 0.000 0.867 49 V CB 2.506 34.407 31.823 0.130 0.000 1.004 49 V HN -1.037 7.101 8.190 0.107 0.117 0.426 50 G N 4.158 113.130 108.800 0.286 0.000 2.766 50 G HA2 0.780 5.026 3.960 0.355 0.000 0.288 50 G HA3 0.780 4.988 3.960 0.412 0.000 0.288 50 G C -2.921 172.265 174.900 0.476 0.000 1.408 50 G CA -1.125 44.203 45.100 0.380 0.000 0.852 50 G HN 0.328 8.782 8.290 0.274 0.000 0.487 51 F N -0.550 119.576 119.950 0.293 0.000 2.577 51 F HA 0.448 5.103 4.527 0.213 0.000 0.318 51 F C -2.514 173.457 175.800 0.284 0.000 1.065 51 F CA -1.318 56.826 58.000 0.240 0.000 0.929 51 F CB 4.943 44.039 39.000 0.160 0.000 1.237 51 F HN 0.971 9.500 8.300 0.578 0.117 0.468 52 E N 4.475 124.616 120.200 -0.098 0.000 2.335 52 E HA 0.496 5.067 4.350 0.178 -0.113 0.280 52 E C -2.373 174.206 176.600 -0.035 0.000 0.918 52 E CA -0.613 55.837 56.400 0.084 0.000 0.765 52 E CB 4.531 34.378 29.700 0.244 0.000 1.218 52 E HN 1.034 8.859 8.360 -0.716 0.106 0.425 53 M N 1.910 121.589 119.600 0.131 0.000 2.644 53 M HA 0.792 5.390 4.480 0.056 -0.084 0.304 53 M C -2.179 174.267 176.300 0.243 0.000 1.215 53 M CA -1.879 53.502 55.300 0.136 0.000 0.871 53 M CB 4.608 37.301 32.600 0.157 0.000 1.740 53 M HN 1.245 9.538 8.290 0.204 0.119 0.464 54 G N -1.969 106.967 108.800 0.226 0.000 2.698 54 G HA2 0.720 4.991 3.960 0.384 0.000 0.293 54 G HA3 0.720 4.848 3.960 0.281 0.000 0.293 54 G C -3.891 171.211 174.900 0.336 0.000 1.437 54 G CA 0.217 45.503 45.100 0.309 0.000 0.852 54 G HN 0.544 8.821 8.290 0.171 0.115 0.499 55 Y N -0.976 119.439 120.300 0.191 0.000 2.519 55 Y HA 0.318 4.946 4.550 0.130 0.000 0.336 55 Y C -2.698 173.313 175.900 0.185 0.000 1.089 55 Y CA -1.870 56.325 58.100 0.158 0.000 1.025 55 Y CB 4.065 42.603 38.460 0.130 0.000 1.318 55 Y HN 0.908 9.423 8.280 0.391 0.000 0.452 56 D N 6.869 127.093 120.400 -0.293 0.000 2.336 56 D HA 0.078 4.660 4.640 -0.096 0.000 0.249 56 D C -0.779 175.131 176.300 -0.651 0.000 1.213 56 D CA 0.463 54.276 54.000 -0.313 0.000 0.870 56 D CB 0.228 40.951 40.800 -0.130 0.000 1.076 56 D HN 0.170 8.543 8.370 0.006 0.000 0.483 57 F N 5.068 124.755 119.950 -0.438 0.000 2.313 57 F HA -0.274 3.980 4.527 -0.454 0.000 0.288 57 F C -0.871 174.808 175.800 -0.202 0.000 1.274 57 F CA 1.663 59.467 58.000 -0.326 0.000 1.241 57 F CB 0.820 39.734 39.000 -0.143 0.000 1.409 57 F HN -0.039 8.304 8.300 0.072 0.000 0.511 58 L N -1.802 119.496 121.223 0.125 0.000 2.466 58 L HA 0.200 4.567 4.340 0.045 0.000 0.258 58 L C -1.005 175.947 176.870 0.136 0.000 0.973 58 L CA -0.282 54.599 54.840 0.068 0.000 0.826 58 L CB 3.478 45.528 42.059 -0.015 0.000 1.372 58 L HN -0.235 8.205 8.230 0.350 0.000 0.409 59 G N 1.858 110.707 108.800 0.082 0.000 2.683 59 G HA2 0.384 4.402 3.960 0.096 0.000 0.299 59 G HA3 0.384 4.384 3.960 0.066 0.000 0.299 59 G C -1.163 173.767 174.900 0.051 0.000 1.432 59 G CA -0.046 45.099 45.100 0.075 0.000 0.978 59 G HN 0.225 8.547 8.290 0.054 0.000 0.513 60 R N 2.999 123.529 120.500 0.050 0.000 2.810 60 R HA 0.168 4.528 4.340 0.033 0.000 0.245 60 R C -0.862 175.465 176.300 0.046 0.000 1.168 60 R CA -0.774 55.349 56.100 0.038 0.000 1.096 60 R CB 1.382 31.698 30.300 0.028 0.000 1.259 60 R HN 0.100 8.405 8.270 0.058 0.000 0.518 61 M N 1.148 120.775 119.600 0.045 0.000 2.016 61 M HA 0.309 4.845 4.480 0.092 0.000 0.315 61 M C -1.224 175.107 176.300 0.052 0.000 0.930 61 M CA -2.722 52.621 55.300 0.072 0.000 0.899 61 M CB -0.115 32.533 32.600 0.080 0.000 1.401 61 M HN 0.286 8.597 8.290 0.034 0.000 0.386 62 P HA -0.164 4.194 4.420 -0.102 0.000 0.218 62 P C -0.544 176.627 177.300 -0.214 0.000 1.146 62 P CA 0.766 63.786 63.100 -0.133 0.000 0.820 62 P CB 0.305 31.866 31.700 -0.232 0.000 0.778 63 Y N -1.199 119.106 120.300 0.009 0.000 2.736 63 Y HA 0.095 4.649 4.550 0.007 0.000 0.339 63 Y C -0.636 175.268 175.900 0.007 0.000 1.301 63 Y CA -0.271 57.833 58.100 0.007 0.000 1.676 63 Y CB -1.023 37.440 38.460 0.006 0.000 1.725 63 Y HN -0.148 8.218 8.280 0.212 0.041 0.466 64 K N 0.654 121.104 120.400 0.083 0.000 2.584 64 K HA 0.132 4.495 4.320 0.071 0.000 0.260 64 K C -0.049 176.568 176.600 0.029 0.000 0.949 64 K CA 0.535 56.858 56.287 0.061 0.000 0.888 64 K CB 1.408 33.942 32.500 0.057 0.000 1.330 64 K HN -0.363 7.852 8.250 0.023 0.048 0.432 65 G N 3.644 112.461 108.800 0.028 0.000 4.637 65 G HA2 0.309 4.275 3.960 0.010 0.000 0.308 65 G HA3 0.309 4.279 3.960 0.017 0.000 0.308 65 G C -0.841 174.069 174.900 0.017 0.000 1.377 65 G CA -0.051 45.059 45.100 0.017 0.000 1.176 65 G HN 0.233 8.544 8.290 0.035 0.000 0.601 66 S N 1.273 116.983 115.700 0.017 0.000 2.482 66 S HA 0.190 4.669 4.470 0.015 0.000 0.303 66 S C -0.557 174.050 174.600 0.012 0.000 1.091 66 S CA -0.625 57.584 58.200 0.015 0.000 1.057 66 S CB 1.951 65.161 63.200 0.017 0.000 1.031 66 S HN -0.314 7.946 8.310 0.017 0.060 0.485 67 V N 1.797 121.718 119.914 0.012 0.000 2.450 67 V HA 0.012 4.138 4.120 0.010 0.000 0.281 67 V C -0.387 175.709 176.094 0.003 0.000 1.019 67 V CA 0.275 62.581 62.300 0.009 0.000 1.062 67 V CB 0.283 32.113 31.823 0.012 0.000 0.979 67 V HN 0.201 8.399 8.190 0.013 0.000 0.477 68 E N 6.902 127.099 120.200 -0.004 0.000 2.343 68 E HA 0.199 4.541 4.350 -0.014 0.000 0.260 68 E C -1.106 175.470 176.600 -0.039 0.000 0.908 68 E CA -0.069 56.322 56.400 -0.015 0.000 0.814 68 E CB 1.097 30.793 29.700 -0.008 0.000 1.302 68 E HN 0.286 8.645 8.360 -0.002 0.000 0.408 69 N N 4.027 122.689 118.700 -0.064 0.000 2.774 69 N HA 0.146 4.804 4.740 -0.136 0.000 0.264 69 N C -0.877 174.545 175.510 -0.146 0.000 1.415 69 N CA -0.007 52.965 53.050 -0.131 0.000 0.815 69 N CB 1.616 40.004 38.487 -0.165 0.000 1.514 69 N HN -0.089 8.261 8.380 -0.051 0.000 0.523 70 G N -1.449 107.217 108.800 -0.223 0.000 3.611 70 G HA2 0.027 3.896 3.960 -0.151 0.000 0.207 70 G HA3 0.027 3.915 3.960 -0.120 0.000 0.207 70 G C -2.150 172.616 174.900 -0.222 0.000 1.548 70 G CA 0.666 45.660 45.100 -0.176 0.000 0.855 70 G HN 0.349 8.443 8.290 -0.327 0.000 0.804 71 A N 0.555 123.207 122.820 -0.281 0.000 2.475 71 A HA 0.204 4.405 4.320 -0.199 0.000 0.281 71 A C -2.079 175.258 177.584 -0.412 0.000 1.263 71 A CA -0.338 51.550 52.037 -0.248 0.000 0.776 71 A CB 1.757 20.693 19.000 -0.107 0.000 1.347 71 A HN -0.242 7.743 8.150 -0.276 0.000 0.443 72 Y N -1.040 119.242 120.300 -0.030 0.000 2.315 72 Y HA 0.043 4.577 4.550 -0.027 0.000 0.324 72 Y C -0.156 175.718 175.900 -0.043 0.000 1.062 72 Y CA -0.524 57.558 58.100 -0.030 0.000 1.159 72 Y CB 2.174 40.621 38.460 -0.022 0.000 1.145 72 Y HN 0.386 8.678 8.280 0.020 0.000 0.442 73 K N 0.885 121.361 120.400 0.126 0.000 3.129 73 K HA -0.434 3.899 4.320 0.022 0.000 0.273 73 K C -1.794 174.789 176.600 -0.029 0.000 1.123 73 K CA 0.591 56.899 56.287 0.036 0.000 0.800 73 K CB -1.040 31.480 32.500 0.033 0.000 1.238 73 K HN 0.441 8.779 8.250 0.147 0.000 0.492 74 A N -3.114 119.669 122.820 -0.062 0.000 2.302 74 A HA 0.030 4.308 4.320 -0.167 -0.058 0.285 74 A C -0.862 176.590 177.584 -0.219 0.000 1.105 74 A CA -0.494 51.444 52.037 -0.165 0.000 0.816 74 A CB 1.289 20.172 19.000 -0.194 0.000 1.067 74 A HN -0.381 7.724 8.150 -0.037 0.023 0.489 75 Q N -0.366 119.224 119.800 -0.350 0.000 2.456 75 Q HA 0.280 4.458 4.340 -0.271 0.000 0.284 75 Q C -1.658 174.008 176.000 -0.555 0.000 1.061 75 Q CA -1.186 54.402 55.803 -0.358 0.000 0.799 75 Q CB 5.376 33.958 28.738 -0.260 0.000 1.445 75 Q HN 0.338 8.362 8.270 -0.411 0.000 0.411 76 G N -0.451 108.054 108.800 -0.492 0.000 2.746 76 G HA2 0.912 4.916 3.960 -0.158 0.000 0.297 76 G HA3 0.912 5.016 3.960 0.240 0.000 0.297 76 G C -2.329 172.239 174.900 -0.553 0.000 1.426 76 G CA -0.176 44.778 45.100 -0.244 0.000 0.989 76 G HN 0.031 7.965 8.290 -0.593 0.000 0.520 77 V N -0.919 118.901 119.914 -0.156 0.000 3.178 77 V HA 0.213 4.242 4.120 -0.153 0.000 0.302 77 V C -2.930 173.207 176.094 0.072 0.000 1.262 77 V CA -1.451 60.776 62.300 -0.122 0.000 1.030 77 V CB 4.396 36.121 31.823 -0.163 0.000 1.074 77 V HN 0.737 8.948 8.190 0.034 0.000 0.438 78 Q N 2.261 122.130 119.800 0.115 0.000 2.356 78 Q HA 0.579 5.088 4.340 0.088 -0.116 0.270 78 Q C -2.017 174.030 176.000 0.078 0.000 1.058 78 Q CA -1.696 54.167 55.803 0.100 0.000 0.802 78 Q CB 3.949 32.752 28.738 0.108 0.000 1.303 78 Q HN 0.409 8.765 8.270 0.144 0.000 0.444 79 L N 1.950 123.202 121.223 0.050 0.000 2.410 79 L HA 0.646 4.981 4.340 -0.009 0.000 0.270 79 L C -1.913 174.893 176.870 -0.107 0.000 0.983 79 L CA -0.763 54.083 54.840 0.009 0.000 0.822 79 L CB 2.772 44.905 42.059 0.123 0.000 1.285 79 L HN 0.783 9.045 8.230 0.054 0.000 0.409 80 T N -1.286 113.040 114.554 -0.380 0.000 2.762 80 T HA 0.310 4.510 4.350 -0.250 0.000 0.301 80 T C -2.531 171.632 174.700 -0.895 0.000 1.299 80 T CA -2.025 59.828 62.100 -0.411 0.000 1.005 80 T CB 2.970 71.749 68.868 -0.149 0.000 1.377 80 T HN 0.877 8.832 8.240 -0.475 0.000 0.504 81 A N -1.378 121.205 122.820 -0.395 0.000 2.324 81 A HA 0.311 4.427 4.320 -0.339 0.000 0.330 81 A C -1.926 175.683 177.584 0.042 0.000 1.165 81 A CA -1.857 50.092 52.037 -0.147 0.000 0.813 81 A CB 2.103 21.220 19.000 0.194 0.000 1.197 81 A HN 0.416 8.354 8.150 -0.162 0.115 0.484 82 K N 2.989 123.491 120.400 0.170 0.000 2.235 82 K HA 0.587 5.195 4.320 0.224 -0.154 0.266 82 K C -1.592 175.181 176.600 0.288 0.000 0.980 82 K CA -0.985 55.464 56.287 0.270 0.000 0.849 82 K CB 2.458 35.169 32.500 0.351 0.000 1.098 82 K HN 0.370 8.628 8.250 0.228 0.129 0.445 83 L N 4.260 125.604 121.223 0.202 0.000 2.372 83 L HA 0.457 4.796 4.340 -0.001 0.000 0.273 83 L C -1.097 175.633 176.870 -0.234 0.000 0.989 83 L CA -1.030 53.820 54.840 0.016 0.000 0.841 83 L CB 1.837 43.925 42.059 0.050 0.000 1.225 83 L HN 0.965 9.209 8.230 0.216 0.116 0.414 84 G N 1.321 109.612 108.800 -0.850 0.000 2.658 84 G HA2 0.606 4.260 3.960 -0.493 0.000 0.292 84 G HA3 0.606 2.925 3.960 -2.852 -0.070 0.292 84 G C -2.615 171.835 174.900 -0.750 0.000 1.320 84 G CA -1.294 43.078 45.100 -1.214 0.000 0.933 84 G HN -0.171 7.652 8.290 -0.778 0.000 0.476 85 Y N -3.261 116.821 120.300 -0.364 0.000 2.409 85 Y HA 0.406 4.927 4.550 -0.048 0.000 0.343 85 Y C -2.083 173.763 175.900 -0.089 0.000 0.973 85 Y CA -2.662 55.379 58.100 -0.098 0.000 1.064 85 Y CB 3.783 42.268 38.460 0.041 0.000 1.207 85 Y HN 0.333 8.454 8.280 -0.093 0.103 0.452 86 P HA 0.352 4.989 4.420 0.028 -0.200 0.274 86 P C -1.318 176.036 177.300 0.091 0.000 1.470 86 P CA -0.354 62.760 63.100 0.022 0.000 1.001 86 P CB -0.272 31.379 31.700 -0.081 0.000 1.332 87 I N 2.634 123.261 120.570 0.095 0.000 2.584 87 I HA -0.073 4.154 4.170 0.094 0.000 0.255 87 I C 0.617 176.774 176.117 0.066 0.000 1.145 87 I CA 1.231 62.583 61.300 0.088 0.000 1.462 87 I CB 0.493 38.545 38.000 0.088 0.000 1.102 87 I HN 0.328 8.596 8.210 0.097 0.000 0.433 88 T N -1.618 112.970 114.554 0.056 0.000 2.843 88 T HA 0.176 4.547 4.350 0.035 0.000 0.302 88 T C -1.555 173.143 174.700 -0.003 0.000 1.232 88 T CA -1.478 60.645 62.100 0.037 0.000 1.009 88 T CB 2.430 71.336 68.868 0.064 0.000 1.254 88 T HN -0.473 7.945 8.240 0.058 -0.143 0.504 89 D N 0.167 120.554 120.400 -0.022 0.000 2.218 89 D HA -0.159 4.446 4.640 -0.058 0.000 0.204 89 D C -0.081 176.138 176.300 -0.134 0.000 0.976 89 D CA 2.710 56.672 54.000 -0.063 0.000 0.853 89 D CB 0.220 40.989 40.800 -0.052 0.000 0.939 89 D HN 0.282 8.649 8.370 -0.004 0.000 0.481 90 D N -4.329 115.968 120.400 -0.173 0.000 2.470 90 D HA 0.034 4.384 4.640 -0.484 0.000 0.238 90 D C -1.324 174.687 176.300 -0.482 0.000 1.054 90 D CA 1.028 54.742 54.000 -0.476 0.000 0.896 90 D CB 1.110 41.533 40.800 -0.628 0.000 1.118 90 D HN -0.277 8.015 8.370 -0.081 0.030 0.497 91 L N -0.213 120.993 121.223 -0.028 0.000 2.272 91 L HA 0.157 4.681 4.340 0.306 0.000 0.289 91 L C -2.550 174.390 176.870 0.117 0.000 1.032 91 L CA -0.127 54.837 54.840 0.207 0.000 0.810 91 L CB 2.100 44.352 42.059 0.322 0.000 1.205 91 L HN -0.522 7.722 8.230 0.024 0.000 0.422 92 D N 4.841 125.322 120.400 0.135 0.000 2.552 92 D HA 0.545 5.264 4.640 0.130 0.000 0.239 92 D C -1.115 175.313 176.300 0.213 0.000 1.139 92 D CA -1.047 53.047 54.000 0.158 0.000 0.914 92 D CB 5.096 46.005 40.800 0.183 0.000 1.461 92 D HN 0.367 8.829 8.370 0.154 0.000 0.462 93 I N -6.285 114.411 120.570 0.210 0.000 2.530 93 I HA 0.445 4.850 4.170 0.228 -0.098 0.297 93 I C -2.087 174.149 176.117 0.198 0.000 1.011 93 I CA -1.508 59.917 61.300 0.209 0.000 1.107 93 I CB 2.800 40.886 38.000 0.144 0.000 1.285 93 I HN 0.433 8.740 8.210 0.162 0.000 0.436 94 Y N 3.429 123.786 120.300 0.094 0.000 2.588 94 Y HA 0.287 5.019 4.550 0.105 -0.118 0.343 94 Y C -1.504 174.452 175.900 0.094 0.000 1.065 94 Y CA -0.700 57.451 58.100 0.086 0.000 1.038 94 Y CB 5.410 43.894 38.460 0.041 0.000 1.297 94 Y HN 0.630 8.979 8.280 0.296 0.109 0.467 95 T N 2.029 116.722 114.554 0.231 0.000 2.952 95 T HA 0.520 5.108 4.350 0.179 -0.130 0.305 95 T C -1.819 172.989 174.700 0.179 0.000 1.064 95 T CA -0.796 61.412 62.100 0.180 0.000 1.008 95 T CB 2.466 71.414 68.868 0.133 0.000 1.078 95 T HN 0.558 8.811 8.240 0.212 0.114 0.459 96 R N 4.862 125.455 120.500 0.154 0.000 2.562 96 R HA 1.022 5.662 4.340 0.123 -0.227 0.298 96 R C -1.693 174.689 176.300 0.136 0.000 0.961 96 R CA -1.943 54.230 56.100 0.120 0.000 0.881 96 R CB 2.608 32.950 30.300 0.070 0.000 1.159 96 R HN 0.679 8.922 8.270 0.153 0.119 0.450 97 L N 2.433 123.715 121.223 0.099 0.000 2.482 97 L HA 0.661 5.263 4.340 0.202 -0.142 0.269 97 L C -0.796 176.113 176.870 0.065 0.000 0.967 97 L CA 0.176 55.088 54.840 0.119 0.000 0.851 97 L CB 2.881 44.989 42.059 0.081 0.000 1.242 97 L HN 0.642 8.911 8.230 0.065 0.000 0.404 98 G N 2.982 111.828 108.800 0.076 0.000 2.635 98 G HA2 0.588 4.586 3.960 0.062 0.000 0.194 98 G HA3 0.588 4.700 3.960 -0.006 -0.156 0.194 98 G C -2.319 172.623 174.900 0.069 0.000 1.198 98 G CA 0.493 45.621 45.100 0.047 0.000 0.972 98 G HN 0.852 9.215 8.290 0.121 0.000 0.520 99 G N -2.113 106.721 108.800 0.056 0.000 2.718 99 G HA2 0.538 4.537 3.960 0.064 0.000 0.295 99 G HA3 0.538 4.540 3.960 0.069 0.000 0.295 99 G C -3.137 171.799 174.900 0.060 0.000 1.421 99 G CA -0.573 44.565 45.100 0.063 0.000 0.902 99 G HN 0.411 8.725 8.290 0.041 0.000 0.501 100 M N 2.952 122.588 119.600 0.061 0.000 2.129 100 M HA 0.489 5.111 4.480 0.083 -0.093 0.348 100 M C -1.641 174.720 176.300 0.102 0.000 1.116 100 M CA -0.311 55.034 55.300 0.076 0.000 1.022 100 M CB 2.439 35.073 32.600 0.056 0.000 1.599 100 M HN -0.007 8.316 8.290 0.054 0.000 0.449 101 V N 3.160 123.144 119.914 0.117 0.000 2.407 101 V HA 0.947 5.365 4.120 0.123 -0.225 0.278 101 V C -2.129 174.100 176.094 0.226 0.000 1.037 101 V CA -2.852 59.524 62.300 0.126 0.000 0.900 101 V CB 0.288 32.150 31.823 0.064 0.000 0.983 101 V HN 1.018 9.176 8.190 0.103 0.094 0.459 102 F N 7.945 127.893 119.950 -0.002 0.000 2.547 102 F HA 0.610 5.122 4.527 -0.024 0.000 0.316 102 F C -2.097 173.701 175.800 -0.004 0.000 1.121 102 F CA -1.404 56.593 58.000 -0.004 0.000 0.911 102 F CB 4.396 43.409 39.000 0.021 0.000 1.179 102 F HN 0.629 8.982 8.300 0.236 0.089 0.443 103 R N 4.959 125.259 120.500 -0.334 0.000 2.698 103 R HA 0.417 4.707 4.340 -0.083 0.000 0.275 103 R C -3.050 173.071 176.300 -0.299 0.000 1.001 103 R CA -1.267 54.708 56.100 -0.209 0.000 0.896 103 R CB 4.936 35.154 30.300 -0.137 0.000 1.218 103 R HN 0.785 8.647 8.270 -0.681 0.000 0.462 104 A N 2.854 125.589 122.820 -0.142 0.000 2.566 104 A HA 0.499 4.726 4.320 -0.154 0.000 0.292 104 A C -2.473 175.095 177.584 -0.027 0.000 1.112 104 A CA -1.128 50.846 52.037 -0.106 0.000 0.707 104 A CB 3.253 22.213 19.000 -0.067 0.000 1.302 104 A HN 0.322 8.430 8.150 -0.070 0.000 0.409 105 D N 0.474 120.877 120.400 0.004 0.000 2.278 105 D HA 0.262 4.920 4.640 0.029 0.000 0.245 105 D C -1.048 175.298 176.300 0.076 0.000 1.052 105 D CA -0.443 53.580 54.000 0.038 0.000 0.834 105 D CB 1.900 42.724 40.800 0.039 0.000 1.194 105 D HN -0.068 8.303 8.370 0.002 0.000 0.481 106 T N -0.294 114.305 114.554 0.076 0.000 3.262 106 T HA 0.077 4.490 4.350 0.104 0.000 0.336 106 T C -0.469 174.278 174.700 0.080 0.000 0.911 106 T CA -0.483 61.673 62.100 0.094 0.000 1.154 106 T CB 0.723 69.658 68.868 0.111 0.000 1.007 106 T HN 0.181 8.460 8.240 0.065 0.000 0.488 107 K N 3.411 123.841 120.400 0.051 0.000 6.691 107 K HA -0.292 4.035 4.320 0.011 0.000 0.741 107 K C -1.747 174.870 176.600 0.027 0.000 2.096 107 K CA 0.812 57.117 56.287 0.030 0.000 1.671 107 K CB -0.245 32.278 32.500 0.038 0.000 1.891 107 K HN 0.365 8.642 8.250 0.044 0.000 0.314 108 S N 0.649 116.359 115.700 0.016 0.000 2.614 108 S HA 0.135 4.626 4.470 0.034 0.000 0.288 108 S C -0.495 174.117 174.600 0.020 0.000 1.137 108 S CA -0.229 57.986 58.200 0.024 0.000 0.992 108 S CB 1.465 64.678 63.200 0.022 0.000 1.026 108 S HN 0.044 8.356 8.310 0.005 0.000 0.486 109 N N 7.237 125.958 118.700 0.034 0.000 2.378 109 N HA 0.113 4.857 4.740 0.007 0.000 0.243 109 N C -1.408 174.136 175.510 0.057 0.000 1.137 109 N CA -0.193 52.871 53.050 0.023 0.000 0.862 109 N CB 0.303 38.784 38.487 -0.010 0.000 1.116 109 N HN 0.417 8.828 8.380 0.052 0.000 0.499 110 V N -4.218 115.733 119.914 0.062 0.000 4.654 110 V HA -0.397 3.749 4.120 0.044 0.000 0.261 110 V C -0.656 175.519 176.094 0.134 0.000 0.471 110 V CA 1.280 63.620 62.300 0.067 0.000 0.802 110 V CB -2.354 29.494 31.823 0.043 0.000 0.768 110 V HN -0.103 8.017 8.190 0.046 0.099 1.286 111 Y N 1.214 121.503 120.300 -0.019 0.000 2.479 111 Y HA -0.061 4.478 4.550 -0.017 0.000 0.283 111 Y C 0.708 176.598 175.900 -0.018 0.000 1.109 111 Y CA -0.337 57.752 58.100 -0.018 0.000 1.239 111 Y CB 1.133 39.581 38.460 -0.021 0.000 1.108 111 Y HN 0.076 8.452 8.280 0.199 0.024 0.548 112 G N 0.497 109.291 108.800 -0.011 0.000 2.956 112 G HA2 -0.226 3.707 3.960 -0.045 0.000 0.263 112 G HA3 -0.226 3.643 3.960 -0.150 0.000 0.263 112 G C -0.655 174.188 174.900 -0.096 0.000 1.090 112 G CA 0.027 45.074 45.100 -0.089 0.000 1.185 112 G HN 0.065 8.400 8.290 0.074 0.000 0.566 113 K N -0.485 119.903 120.400 -0.020 0.000 2.480 113 K HA 0.294 4.592 4.320 -0.037 0.000 0.258 113 K C -1.397 175.203 176.600 0.000 0.000 0.990 113 K CA -1.295 54.985 56.287 -0.012 0.000 0.857 113 K CB 3.573 36.090 32.500 0.028 0.000 1.384 113 K HN 0.201 8.455 8.250 0.007 0.000 0.446 114 N N -1.001 117.700 118.700 0.002 0.000 2.312 114 N HA 0.215 4.983 4.740 0.046 0.000 0.296 114 N C -0.762 174.786 175.510 0.063 0.000 1.193 114 N CA 0.012 53.084 53.050 0.036 0.000 0.773 114 N CB 1.528 40.037 38.487 0.037 0.000 1.435 114 N HN 0.222 8.597 8.380 -0.008 0.000 0.484 115 H N 0.837 119.922 119.070 0.025 0.000 2.521 115 H HA 0.143 4.717 4.556 0.030 0.000 0.267 115 H C -1.475 173.873 175.328 0.034 0.000 0.963 115 H CA 0.622 56.688 56.048 0.029 0.000 1.175 115 H CB 1.141 30.921 29.762 0.029 0.000 1.450 115 H HN 0.231 8.617 8.280 0.176 0.000 0.472 116 D N -0.268 120.234 120.400 0.169 0.000 2.688 116 D HA 0.189 4.891 4.640 0.102 0.000 0.210 116 D C -1.147 175.211 176.300 0.097 0.000 1.333 116 D CA 0.274 54.335 54.000 0.101 0.000 0.920 116 D CB 2.054 42.882 40.800 0.047 0.000 1.554 116 D HN -0.123 8.345 8.370 0.164 0.000 0.579 117 T N 1.522 116.132 114.554 0.093 0.000 2.912 117 T HA 0.429 4.934 4.350 0.109 -0.089 0.288 117 T C -0.354 174.420 174.700 0.123 0.000 1.030 117 T CA -1.145 61.016 62.100 0.101 0.000 1.020 117 T CB 1.987 70.899 68.868 0.072 0.000 1.056 117 T HN -0.053 8.238 8.240 0.086 0.000 0.480 118 G N 1.246 110.153 108.800 0.178 0.000 2.377 118 G HA2 0.259 4.289 3.960 0.115 0.000 0.316 118 G HA3 0.259 4.360 3.960 0.234 0.000 0.316 118 G C -1.863 173.111 174.900 0.124 0.000 1.115 118 G CA -0.151 45.049 45.100 0.167 0.000 0.952 118 G HN 0.475 8.775 8.290 0.209 0.115 0.441 119 V N 4.057 124.020 119.914 0.082 0.000 2.703 119 V HA 0.329 4.668 4.120 0.075 -0.174 0.290 119 V C -0.509 175.618 176.094 0.055 0.000 1.035 119 V CA -1.619 60.722 62.300 0.069 0.000 1.185 119 V CB -0.194 31.667 31.823 0.063 0.000 1.178 119 V HN 0.202 8.434 8.190 0.071 0.000 0.562 120 S N 5.412 121.140 115.700 0.045 0.000 2.474 120 S HA 0.381 4.877 4.470 0.044 0.000 0.320 120 S C -1.613 173.015 174.600 0.047 0.000 1.067 120 S CA -1.786 56.437 58.200 0.038 0.000 1.127 120 S CB 0.795 64.004 63.200 0.014 0.000 0.971 120 S HN -0.012 8.324 8.310 0.043 0.000 0.472 121 P HA -0.162 4.447 4.420 0.084 -0.138 0.263 121 P C -1.451 175.924 177.300 0.124 0.000 1.175 121 P CA 0.196 63.352 63.100 0.093 0.000 0.761 121 P CB 0.474 32.233 31.700 0.099 0.000 0.794 122 V N 0.030 120.023 119.914 0.131 0.000 3.114 122 V HA 0.293 4.489 4.120 0.126 0.000 0.308 122 V C -1.731 174.486 176.094 0.205 0.000 1.168 122 V CA -1.618 60.744 62.300 0.102 0.000 1.015 122 V CB 3.984 35.783 31.823 -0.040 0.000 1.050 122 V HN 0.404 8.549 8.190 0.114 0.113 0.433 123 F N -1.238 118.718 119.950 0.010 0.000 2.629 123 F HA 1.096 5.751 4.527 -0.000 -0.129 0.316 123 F C -2.311 173.504 175.800 0.025 0.000 1.081 123 F CA -2.614 55.389 58.000 0.005 0.000 0.954 123 F CB 3.736 42.729 39.000 -0.012 0.000 1.337 123 F HN 0.265 8.203 8.300 -0.603 0.000 0.474 124 A N -2.826 120.086 122.820 0.153 0.000 2.566 124 A HA 0.850 5.328 4.320 0.040 -0.134 0.292 124 A C -1.752 175.927 177.584 0.159 0.000 1.112 124 A CA -1.627 50.460 52.037 0.083 0.000 0.707 124 A CB 3.722 22.722 19.000 0.000 0.000 1.302 124 A HN 0.903 9.076 8.150 0.231 0.115 0.409 125 G N -2.856 106.043 108.800 0.165 0.000 2.719 125 G HA2 0.819 5.022 3.960 0.173 0.000 0.298 125 G HA3 0.819 4.906 3.960 0.213 0.000 0.298 125 G C -2.342 172.680 174.900 0.204 0.000 1.411 125 G CA -0.635 44.580 45.100 0.192 0.000 0.991 125 G HN 0.346 8.728 8.290 0.154 0.000 0.509 126 G N 0.790 109.700 108.800 0.183 0.000 2.364 126 G HA2 0.774 4.881 3.960 0.244 0.000 0.286 126 G HA3 0.774 5.001 3.960 0.077 -0.220 0.286 126 G C -2.935 172.065 174.900 0.166 0.000 1.241 126 G CA 1.016 46.216 45.100 0.166 0.000 0.887 126 G HN 0.442 8.843 8.290 0.184 0.000 0.484 127 V N -4.670 115.324 119.914 0.133 0.000 2.925 127 V HA 0.698 5.008 4.120 0.197 -0.072 0.311 127 V C -2.529 173.636 176.094 0.118 0.000 1.104 127 V CA -2.127 60.264 62.300 0.153 0.000 0.954 127 V CB 3.905 35.816 31.823 0.147 0.000 1.022 127 V HN 0.409 8.652 8.190 0.089 0.000 0.427 128 E N 1.700 121.978 120.200 0.130 0.000 2.210 128 E HA 0.475 4.976 4.350 0.062 -0.113 0.266 128 E C -1.948 174.718 176.600 0.110 0.000 0.883 128 E CA -1.431 55.008 56.400 0.065 0.000 0.761 128 E CB 3.224 32.881 29.700 -0.071 0.000 1.156 128 E HN 0.447 8.802 8.360 0.181 0.113 0.412 129 Y N 5.425 125.709 120.300 -0.027 0.000 2.499 129 Y HA 0.866 5.651 4.550 -0.019 -0.247 0.347 129 Y C -2.582 173.283 175.900 -0.057 0.000 0.987 129 Y CA -2.349 55.734 58.100 -0.028 0.000 1.044 129 Y CB 5.040 43.493 38.460 -0.011 0.000 1.245 129 Y HN 0.932 9.306 8.280 0.156 0.000 0.461 130 A N 6.343 128.801 122.820 -0.603 0.000 2.249 130 A HA 0.192 4.407 4.320 -0.175 0.000 0.314 130 A C -1.723 175.744 177.584 -0.194 0.000 1.290 130 A CA -1.429 50.398 52.037 -0.350 0.000 0.893 130 A CB 0.427 19.211 19.000 -0.361 0.000 1.165 130 A HN 0.237 7.634 8.150 -1.255 0.000 0.530 131 I N 4.217 124.817 120.570 0.049 0.000 2.585 131 I HA -0.032 4.326 4.170 0.314 0.000 0.254 131 I C -0.353 175.778 176.117 0.025 0.000 1.129 131 I CA 0.027 61.408 61.300 0.135 0.000 1.455 131 I CB 1.222 39.279 38.000 0.096 0.000 1.111 131 I HN 0.466 8.677 8.210 0.002 0.000 0.433 132 T N -3.219 111.308 114.554 -0.044 0.000 2.749 132 T HA 0.334 4.658 4.350 -0.043 0.000 0.310 132 T C -2.650 171.998 174.700 -0.087 0.000 1.496 132 T CA -2.491 59.577 62.100 -0.054 0.000 1.006 132 T CB 0.462 69.309 68.868 -0.036 0.000 1.457 132 T HN -0.682 7.513 8.240 -0.074 0.000 0.497 133 P HA -0.214 4.158 4.420 -0.079 0.000 0.266 133 P C -0.413 176.849 177.300 -0.064 0.000 1.195 133 P CA 0.762 63.823 63.100 -0.064 0.000 0.768 133 P CB -0.037 31.642 31.700 -0.035 0.000 0.838 134 E N -4.225 115.939 120.200 -0.060 0.000 3.065 134 E HA -0.431 3.929 4.350 0.017 0.000 0.277 134 E C -1.612 174.844 176.600 -0.239 0.000 1.008 134 E CA 1.835 58.220 56.400 -0.025 0.000 0.864 134 E CB -0.714 29.038 29.700 0.088 0.000 1.439 134 E HN 0.496 8.818 8.360 -0.063 0.000 0.445 135 I N -2.777 117.598 120.570 -0.326 0.000 2.563 135 I HA 0.093 3.640 4.170 -1.039 0.000 0.285 135 I C -2.655 173.253 176.117 -0.348 0.000 1.123 135 I CA -0.726 60.261 61.300 -0.522 0.000 1.059 135 I CB 2.232 40.040 38.000 -0.320 0.000 1.229 135 I HN -0.493 7.533 8.210 -0.216 0.054 0.442 136 A N 6.613 129.202 122.820 -0.385 0.000 2.384 136 A HA 0.758 4.986 4.320 -0.153 0.000 0.312 136 A C -1.626 175.882 177.584 -0.127 0.000 1.113 136 A CA -1.735 50.179 52.037 -0.206 0.000 0.779 136 A CB 3.950 22.832 19.000 -0.197 0.000 1.307 136 A HN 0.822 8.618 8.150 -0.590 0.000 0.436 137 T N 2.367 116.902 114.554 -0.031 0.000 2.952 137 T HA 0.574 5.056 4.350 0.021 -0.120 0.305 137 T C -1.626 173.103 174.700 0.048 0.000 1.064 137 T CA 0.200 62.312 62.100 0.019 0.000 1.008 137 T CB 2.812 71.699 68.868 0.031 0.000 1.078 137 T HN 0.638 8.873 8.240 -0.009 0.000 0.459 138 R N 3.659 124.188 120.500 0.049 0.000 2.739 138 R HA 0.822 5.262 4.340 0.049 -0.071 0.271 138 R C -3.256 173.044 176.300 -0.001 0.000 1.010 138 R CA -1.418 54.703 56.100 0.035 0.000 0.897 138 R CB 4.016 34.327 30.300 0.019 0.000 1.236 138 R HN 1.142 9.451 8.270 0.065 0.000 0.466 139 L N 0.416 121.617 121.223 -0.036 0.000 2.386 139 L HA 0.663 5.012 4.340 -0.160 -0.105 0.271 139 L C -2.225 174.505 176.870 -0.233 0.000 0.993 139 L CA -0.783 53.969 54.840 -0.147 0.000 0.819 139 L CB 4.013 45.992 42.059 -0.133 0.000 1.294 139 L HN 0.491 8.720 8.230 -0.002 0.000 0.414 140 E N 0.458 120.408 120.200 -0.416 0.000 2.413 140 E HA 0.703 5.034 4.350 -0.244 -0.127 0.277 140 E C -1.628 174.606 176.600 -0.610 0.000 0.958 140 E CA -1.640 54.536 56.400 -0.373 0.000 0.779 140 E CB 4.776 34.383 29.700 -0.155 0.000 1.278 140 E HN 0.439 8.534 8.360 -0.442 0.000 0.456 141 Y N -2.325 117.965 120.300 -0.017 0.000 2.570 141 Y HA 0.711 5.346 4.550 -0.116 -0.155 0.345 141 Y C -0.736 175.163 175.900 -0.001 0.000 1.014 141 Y CA -1.863 56.212 58.100 -0.042 0.000 1.063 141 Y CB 3.811 42.261 38.460 -0.016 0.000 1.272 141 Y HN 1.082 9.330 8.280 0.142 0.117 0.477 142 Q N -2.505 117.357 119.800 0.103 0.000 2.413 142 Q HA 0.462 4.818 4.340 0.027 0.000 0.276 142 Q C -1.205 174.817 176.000 0.037 0.000 1.099 142 Q CA -1.518 54.293 55.803 0.014 0.000 0.814 142 Q CB 4.963 33.631 28.738 -0.117 0.000 1.379 142 Q HN 0.405 8.658 8.270 0.062 0.054 0.436 143 F N 1.636 121.373 119.950 -0.354 0.000 2.415 143 F HA 0.255 4.701 4.527 -0.135 0.000 0.348 143 F C 0.346 175.996 175.800 -0.251 0.000 1.119 143 F CA -0.262 57.590 58.000 -0.247 0.000 1.069 143 F CB 0.993 39.899 39.000 -0.157 0.000 1.124 143 F HN 0.629 8.795 8.300 -0.224 0.000 0.472 144 T N 0.051 114.554 114.554 -0.086 0.000 3.034 144 T HA -0.031 4.262 4.350 -0.095 0.000 0.248 144 T C 0.278 174.959 174.700 -0.032 0.000 1.040 144 T CA 0.174 62.227 62.100 -0.077 0.000 1.107 144 T CB 0.944 69.762 68.868 -0.085 0.000 0.932 144 T HN 0.310 8.447 8.240 -0.170 0.000 0.474 145 N N 3.419 122.104 118.700 -0.025 0.000 3.083 145 N HA 0.084 4.785 4.740 -0.066 0.000 0.260 145 N C -1.238 174.300 175.510 0.047 0.000 1.163 145 N CA 0.787 53.818 53.050 -0.032 0.000 1.060 145 N CB -1.172 37.275 38.487 -0.067 0.000 1.345 145 N HN 0.062 8.405 8.380 -0.061 0.000 0.515 146 N N 1.193 119.929 118.700 0.059 0.000 2.706 146 N HA 0.034 4.808 4.740 0.057 0.000 0.219 146 N C -2.092 173.484 175.510 0.109 0.000 1.336 146 N CA 0.755 53.877 53.050 0.120 0.000 1.663 146 N CB 0.672 39.335 38.487 0.294 0.000 1.373 146 N HN -0.024 8.371 8.380 0.026 0.000 0.619 147 I N -5.727 114.868 120.570 0.042 0.000 3.263 147 I HA 0.460 4.669 4.170 0.064 0.000 0.314 147 I C 0.563 176.693 176.117 0.023 0.000 1.269 147 I CA -1.251 60.079 61.300 0.050 0.000 0.942 147 I CB 2.332 40.370 38.000 0.063 0.000 1.305 147 I HN -0.519 7.685 8.210 -0.010 0.000 0.474 148 G N 2.189 111.011 108.800 0.036 0.000 5.431 148 G HA2 -0.361 3.624 3.960 0.042 0.000 0.322 148 G HA3 -0.361 3.624 3.960 0.042 0.000 0.322 148 G C -1.030 173.901 174.900 0.051 0.000 1.370 148 G CA 0.675 45.800 45.100 0.042 0.000 0.963 148 G HN 0.416 8.732 8.290 0.043 0.000 0.797 149 D N 3.008 123.445 120.400 0.062 0.000 2.934 149 D HA 0.191 4.876 4.640 0.076 0.000 0.230 149 D C -1.506 174.859 176.300 0.109 0.000 1.204 149 D CA -0.425 53.634 54.000 0.097 0.000 0.873 149 D CB 2.481 43.365 40.800 0.140 0.000 1.645 149 D HN -0.077 8.282 8.370 0.044 0.037 0.502 150 A N 3.361 126.245 122.820 0.106 0.000 2.409 150 A HA 0.006 4.346 4.320 0.033 0.000 0.267 150 A C -0.457 177.269 177.584 0.236 0.000 1.127 150 A CA 0.136 52.234 52.037 0.102 0.000 0.795 150 A CB 0.363 19.402 19.000 0.065 0.000 1.061 150 A HN 0.061 8.264 8.150 0.088 0.000 0.502 151 H N 4.001 123.086 119.070 0.025 0.000 2.525 151 H HA 0.150 4.715 4.556 0.015 0.000 0.339 151 H C 1.331 176.669 175.328 0.016 0.000 1.109 151 H CA -0.717 55.342 56.048 0.018 0.000 1.352 151 H CB 1.171 30.943 29.762 0.017 0.000 1.461 151 H HN 0.228 8.568 8.280 0.100 0.000 0.533 152 T N 1.990 116.607 114.554 0.106 0.000 2.668 152 T HA -0.150 4.235 4.350 0.059 0.000 0.262 152 T C 0.208 174.942 174.700 0.057 0.000 1.045 152 T CA 1.840 63.975 62.100 0.058 0.000 1.152 152 T CB 0.359 69.240 68.868 0.022 0.000 0.864 152 T HN 0.177 8.451 8.240 0.057 0.000 0.419 153 I N -2.497 118.101 120.570 0.047 0.000 3.195 153 I HA 0.222 4.422 4.170 0.049 0.000 0.313 153 I C -1.128 175.014 176.117 0.042 0.000 1.237 153 I CA -0.899 60.425 61.300 0.040 0.000 0.963 153 I CB 2.167 40.179 38.000 0.019 0.000 1.278 153 I HN -0.662 7.566 8.210 0.030 0.000 0.460 154 G N 2.079 110.901 108.800 0.037 0.000 2.113 154 G HA2 -0.074 3.895 3.960 0.015 0.000 0.082 154 G HA3 -0.074 3.912 3.960 0.043 0.000 0.082 154 G C -0.884 174.034 174.900 0.031 0.000 1.155 154 G CA -0.331 44.788 45.100 0.032 0.000 1.241 154 G HN 0.338 8.647 8.290 0.032 0.000 0.453 155 T N -0.495 114.083 114.554 0.039 0.000 2.919 155 T HA -0.086 4.267 4.350 0.005 0.000 0.302 155 T C 0.077 174.789 174.700 0.021 0.000 1.031 155 T CA 0.245 62.355 62.100 0.018 0.000 1.127 155 T CB 0.610 69.483 68.868 0.008 0.000 0.952 155 T HN -0.044 8.231 8.240 0.059 0.000 0.540 156 R N 2.966 123.470 120.500 0.007 0.000 2.349 156 R HA 0.235 4.593 4.340 0.030 0.000 0.299 156 R C -0.774 175.530 176.300 0.006 0.000 1.027 156 R CA -2.486 53.623 56.100 0.015 0.000 0.958 156 R CB 1.111 31.417 30.300 0.011 0.000 1.047 156 R HN 0.233 8.501 8.270 -0.003 0.000 0.468 157 P HA 0.116 4.521 4.420 -0.025 0.000 0.263 157 P C -1.640 175.683 177.300 0.038 0.000 1.601 157 P CA 0.167 63.306 63.100 0.065 0.000 1.161 157 P CB -0.386 31.460 31.700 0.244 0.000 1.730 158 D N 2.654 122.997 120.400 -0.096 0.000 2.914 158 D HA 0.066 4.671 4.640 -0.059 0.000 0.349 158 D C -1.368 174.810 176.300 -0.202 0.000 1.540 158 D CA 0.278 54.215 54.000 -0.105 0.000 0.778 158 D CB 0.366 41.138 40.800 -0.046 0.000 1.213 158 D HN -0.128 8.167 8.370 -0.125 0.000 0.451 159 N N -0.976 117.517 118.700 -0.345 0.000 2.864 159 N HA 0.056 4.618 4.740 -0.297 0.000 0.247 159 N C -1.348 173.919 175.510 -0.405 0.000 1.071 159 N CA 0.386 53.250 53.050 -0.311 0.000 1.056 159 N CB 1.424 39.806 38.487 -0.175 0.000 1.661 159 N HN -0.325 7.770 8.380 -0.475 0.000 0.570 160 G N 1.121 109.702 108.800 -0.364 0.000 3.255 160 G HA2 0.407 4.206 3.960 -0.268 0.000 0.161 160 G HA3 0.407 4.325 3.960 -0.437 -0.220 0.161 160 G C -2.134 172.664 174.900 -0.170 0.000 1.173 160 G CA 0.294 45.205 45.100 -0.315 0.000 1.106 160 G HN -0.190 7.920 8.290 -0.300 0.000 0.650 161 M N 2.162 121.681 119.600 -0.135 0.000 2.233 161 M HA 0.178 4.553 4.480 -0.175 0.000 0.355 161 M C -1.358 174.861 176.300 -0.134 0.000 1.191 161 M CA 0.470 55.683 55.300 -0.144 0.000 1.101 161 M CB 2.369 34.892 32.600 -0.127 0.000 1.592 161 M HN 0.457 8.536 8.290 -0.135 0.130 0.461 162 L N 5.437 126.406 121.223 -0.423 0.000 2.343 162 L HA 0.462 4.637 4.340 -0.274 0.000 0.278 162 L C -1.579 174.877 176.870 -0.689 0.000 0.996 162 L CA -0.306 54.203 54.840 -0.552 0.000 0.831 162 L CB 0.770 42.363 42.059 -0.777 0.000 1.232 162 L HN 0.743 8.617 8.230 -0.592 0.000 0.413 163 S N 2.366 117.768 115.700 -0.496 0.000 2.595 163 S HA 0.422 4.769 4.470 -0.205 0.000 0.281 163 S C -2.482 171.975 174.600 -0.239 0.000 1.117 163 S CA -0.646 57.380 58.200 -0.289 0.000 0.873 163 S CB 3.411 66.476 63.200 -0.226 0.000 1.108 163 S HN 0.720 8.655 8.310 -0.626 0.000 0.477 164 L N 2.070 123.236 121.223 -0.095 0.000 2.470 164 L HA 0.609 5.022 4.340 -0.087 -0.126 0.268 164 L C -1.987 174.899 176.870 0.026 0.000 0.964 164 L CA -0.584 54.230 54.840 -0.044 0.000 0.839 164 L CB 4.242 46.303 42.059 0.004 0.000 1.276 164 L HN 0.620 8.704 8.230 -0.045 0.120 0.403 165 G N 4.003 112.842 108.800 0.065 0.000 2.672 165 G HA2 0.824 4.872 3.960 0.159 0.000 0.292 165 G HA3 0.824 5.024 3.960 0.299 -0.061 0.292 165 G C -2.958 172.060 174.900 0.196 0.000 1.375 165 G CA -0.557 44.654 45.100 0.185 0.000 0.890 165 G HN 0.855 9.166 8.290 0.034 0.000 0.476 166 V N -4.533 115.496 119.914 0.193 0.000 2.630 166 V HA 0.757 5.008 4.120 0.072 -0.088 0.305 166 V C -1.522 174.635 176.094 0.105 0.000 1.046 166 V CA -3.123 59.244 62.300 0.113 0.000 0.934 166 V CB 2.288 34.163 31.823 0.087 0.000 1.003 166 V HN 0.324 8.638 8.190 0.207 0.000 0.451 167 S N 0.562 116.272 115.700 0.017 0.000 2.548 167 S HA 0.341 4.938 4.470 0.033 -0.107 0.286 167 S C -1.520 173.059 174.600 -0.036 0.000 1.098 167 S CA -1.462 56.749 58.200 0.019 0.000 0.930 167 S CB 3.010 66.211 63.200 0.001 0.000 1.070 167 S HN 0.500 8.640 8.310 -0.056 0.136 0.480 168 Y N 2.396 122.649 120.300 -0.079 0.000 2.352 168 Y HA 0.285 4.799 4.550 -0.060 0.000 0.339 168 Y C -0.815 175.066 175.900 -0.032 0.000 0.992 168 Y CA -0.709 57.357 58.100 -0.058 0.000 1.100 168 Y CB 3.246 41.665 38.460 -0.067 0.000 1.192 168 Y HN 0.965 9.299 8.280 0.309 0.131 0.458 169 R N 2.782 123.306 120.500 0.041 0.000 2.265 169 R HA 0.319 4.655 4.340 -0.006 0.000 0.328 169 R C -1.617 174.662 176.300 -0.034 0.000 0.969 169 R CA -0.834 55.245 56.100 -0.036 0.000 0.832 169 R CB 1.095 31.320 30.300 -0.125 0.000 1.139 169 R HN 0.421 8.680 8.270 -0.019 0.000 0.457 170 F N 6.718 126.405 119.950 -0.437 0.000 2.436 170 F HA 0.147 4.501 4.527 -0.288 0.000 0.340 170 F C -1.134 174.156 175.800 -0.851 0.000 1.113 170 F CA -1.395 56.288 58.000 -0.527 0.000 1.022 170 F CB 3.013 41.764 39.000 -0.416 0.000 1.128 170 F HN -0.377 7.743 8.300 -0.300 0.000 0.466 171 G N 5.258 113.495 108.800 -0.939 0.000 2.491 171 G HA2 -0.174 3.309 3.960 -0.796 0.000 0.232 171 G HA3 -0.174 3.322 3.960 -0.774 0.000 0.232 171 G C -0.733 173.906 174.900 -0.435 0.000 1.609 171 G CA -0.166 44.475 45.100 -0.764 0.000 0.880 171 G HN 0.079 7.829 8.290 -0.900 0.000 0.515 172 Q N 0.139 119.703 119.800 -0.394 0.000 2.036 172 Q HA -0.050 4.173 4.340 -0.195 0.000 0.195 172 Q C 1.306 177.203 176.000 -0.171 0.000 0.971 172 Q CA 0.517 56.184 55.803 -0.226 0.000 0.826 172 Q CB 0.479 29.115 28.738 -0.171 0.000 0.896 172 Q HN 0.118 8.070 8.270 -0.531 0.000 0.449 173 G N 0.591 109.289 108.800 -0.171 0.000 2.645 173 G HA2 -0.307 3.595 3.960 -0.097 0.000 0.246 173 G HA3 -0.307 3.596 3.960 -0.095 0.000 0.246 173 G C -0.924 173.934 174.900 -0.071 0.000 1.322 173 G CA 0.688 45.725 45.100 -0.106 0.000 0.898 173 G HN 0.019 8.176 8.290 -0.221 0.000 0.573 174 E N -1.618 118.554 120.200 -0.048 0.000 3.293 174 E HA 0.096 4.423 4.350 -0.038 0.000 0.218 174 E C 1.595 178.179 176.600 -0.026 0.000 1.112 174 E CA 0.548 56.927 56.400 -0.034 0.000 1.642 174 E CB 1.103 30.788 29.700 -0.024 0.000 1.630 174 E HN 0.408 8.743 8.360 -0.043 0.000 0.820 175 A N 1.316 124.123 122.820 -0.021 0.000 2.010 175 A HA 0.516 4.828 4.320 -0.015 0.000 0.210 175 A C 0.990 178.566 177.584 -0.014 0.000 1.479 175 A CA 1.162 53.190 52.037 -0.014 0.000 0.748 175 A CB -0.106 18.889 19.000 -0.008 0.000 1.125 175 A HN 0.140 8.277 8.150 -0.021 0.000 0.522 176 A N 0.000 122.814 122.820 -0.011 0.000 2.254 176 A HA 0.000 4.317 4.320 -0.005 0.000 0.244 176 A CA 0.000 52.034 52.037 -0.006 0.000 0.836 176 A CB 0.000 19.002 19.000 0.004 0.000 0.831 176 A HN 0.000 8.144 8.150 -0.010 0.000 0.486