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 2zu1_1_B DATA FIRST_RESID 1 DATA SEQUENCE GPAFEFAVAM MKRNSSTVKT EYGEFTMLGI YDRWAVLPRH AKPGPTILMN DATA SEQUENCE DQEVGVLDAK ELVDKDGTNL ELTLLKLNRN EKFRDIRGFL AKEEVEVNEA DATA SEQUENCE VLAINTSKFP NMYIPVGQVT EYGFLNLGGT PTKRMLMYNF PTRAGQAGGV DATA SEQUENCE LMSTGKVLGI HVGGNGHQGF SAALLKHYFN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 1 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 1 G C 0.000 174.972 174.900 0.120 0.000 0.946 1 G CA 0.000 45.142 45.100 0.070 0.000 0.502 2 P HA 0.049 4.469 4.420 -0.000 0.000 0.215 2 P C 2.204 179.566 177.300 0.103 0.000 1.153 2 P CA 2.384 65.527 63.100 0.073 0.000 0.853 2 P CB -0.017 31.704 31.700 0.035 0.000 0.788 3 A N -1.285 121.594 122.820 0.097 0.000 1.933 3 A HA -0.194 4.128 4.320 0.002 0.000 0.218 3 A C 2.137 179.830 177.584 0.181 0.000 1.175 3 A CA 1.303 53.415 52.037 0.126 0.000 0.628 3 A CB -1.797 17.253 19.000 0.084 0.000 0.814 3 A HN 0.191 8.341 8.150 -0.000 0.000 0.444 4 F N 0.691 120.636 119.950 -0.009 0.000 2.134 4 F HA -0.157 4.373 4.527 0.005 0.000 0.299 4 F C 2.269 177.994 175.800 -0.125 0.000 1.097 4 F CA 2.092 60.038 58.000 -0.090 0.000 1.264 4 F CB -0.095 38.829 39.000 -0.126 0.000 1.001 4 F HN 0.325 8.625 8.300 -0.000 0.000 0.479 5 E N -0.270 119.891 120.200 -0.066 0.000 2.051 5 E HA -0.255 4.097 4.350 0.002 0.000 0.192 5 E C 2.052 178.548 176.600 -0.173 0.000 0.991 5 E CA 1.545 57.838 56.400 -0.178 0.000 0.799 5 E CB -0.482 29.208 29.700 -0.017 0.000 0.748 5 E HN 0.517 8.877 8.360 -0.000 0.000 0.449 6 F N 1.505 121.355 119.950 -0.166 0.000 2.095 6 F HA -0.217 4.311 4.527 0.002 0.000 0.298 6 F C 2.182 177.859 175.800 -0.206 0.000 1.104 6 F CA 1.571 59.469 58.000 -0.170 0.000 1.232 6 F CB -0.396 38.526 39.000 -0.131 0.000 0.987 6 F HN -0.056 8.244 8.300 -0.000 0.000 0.475 7 A N -0.161 122.544 122.820 -0.191 0.000 1.877 7 A HA -0.117 4.204 4.320 0.002 0.000 0.216 7 A C 2.317 179.755 177.584 -0.244 0.000 1.186 7 A CA 1.977 53.896 52.037 -0.196 0.000 0.620 7 A CB -1.396 17.639 19.000 0.058 0.000 0.822 7 A HN 0.276 8.426 8.150 -0.000 0.000 0.443 8 V N -0.057 119.566 119.914 -0.485 0.000 2.295 8 V HA -0.268 3.854 4.120 0.002 0.000 0.246 8 V C 3.063 178.980 176.094 -0.295 0.000 1.049 8 V CA 2.025 64.046 62.300 -0.465 0.000 1.024 8 V CB -1.300 30.027 31.823 -0.826 0.000 0.648 8 V HN 0.618 8.808 8.190 -0.000 0.000 0.447 9 A N -0.538 122.076 122.820 -0.342 0.000 1.933 9 A HA -0.274 4.048 4.320 0.002 0.000 0.218 9 A C 2.160 179.552 177.584 -0.320 0.000 1.175 9 A CA 2.428 54.293 52.037 -0.286 0.000 0.628 9 A CB -0.541 18.297 19.000 -0.270 0.000 0.814 9 A HN 0.489 8.639 8.150 -0.000 0.000 0.444 10 M N -0.917 118.389 119.600 -0.490 0.000 2.132 10 M HA -0.067 4.414 4.480 0.002 0.000 0.263 10 M C 1.884 178.021 176.300 -0.272 0.000 1.065 10 M CA 1.726 56.728 55.300 -0.498 0.000 1.122 10 M CB -0.487 31.663 32.600 -0.750 0.000 1.365 10 M HN 0.294 8.584 8.290 -0.000 0.000 0.411 11 M N -0.083 119.398 119.600 -0.198 0.000 2.117 11 M HA -0.174 4.307 4.480 0.002 0.000 0.262 11 M C 2.009 178.261 176.300 -0.079 0.000 1.065 11 M CA 1.706 56.941 55.300 -0.108 0.000 1.114 11 M CB -1.354 31.224 32.600 -0.036 0.000 1.361 11 M HN 0.306 8.596 8.290 -0.000 0.000 0.408 12 K N -0.622 119.728 120.400 -0.083 0.000 2.148 12 K HA -0.152 4.169 4.320 0.002 0.000 0.204 12 K C 2.206 178.779 176.600 -0.045 0.000 1.050 12 K CA 1.011 57.265 56.287 -0.055 0.000 0.942 12 K CB -0.069 32.391 32.500 -0.065 0.000 0.724 12 K HN 0.057 8.307 8.250 -0.000 0.000 0.446 13 R N 0.873 121.330 120.500 -0.071 0.000 2.112 13 R HA 0.038 4.380 4.340 0.002 0.000 0.216 13 R C 0.718 177.020 176.300 0.004 0.000 1.080 13 R CA 1.410 57.490 56.100 -0.034 0.000 0.996 13 R CB 0.193 30.459 30.300 -0.057 0.000 0.902 13 R HN 0.083 8.353 8.270 -0.000 0.000 0.449 14 N N -1.229 117.445 118.700 -0.043 0.000 2.159 14 N HA 0.093 4.834 4.740 0.002 0.000 0.217 14 N C -1.093 174.358 175.510 -0.097 0.000 1.223 14 N CA 0.166 53.187 53.050 -0.050 0.000 0.896 14 N CB 1.184 39.599 38.487 -0.121 0.000 1.064 14 N HN 0.160 8.540 8.380 -0.000 0.000 0.518 15 S N -0.340 115.322 115.700 -0.063 0.000 2.681 15 S HA 0.825 5.297 4.470 0.002 0.000 0.299 15 S C -0.009 174.592 174.600 0.002 0.000 1.113 15 S CA -0.452 57.714 58.200 -0.057 0.000 1.013 15 S CB 1.964 65.123 63.200 -0.069 0.000 1.076 15 S HN 0.096 8.406 8.310 -0.000 0.000 0.534 16 S N 0.382 116.091 115.700 0.014 0.000 2.671 16 S HA 0.723 5.194 4.470 0.002 0.000 0.277 16 S C -1.005 173.621 174.600 0.042 0.000 1.165 16 S CA -0.889 57.338 58.200 0.044 0.000 0.822 16 S CB 1.103 64.354 63.200 0.085 0.000 1.150 16 S HN 0.758 9.068 8.310 -0.000 0.000 0.479 17 T N 1.189 115.772 114.554 0.048 0.000 2.779 17 T HA 0.695 5.047 4.350 0.002 0.000 0.280 17 T C -0.910 173.835 174.700 0.075 0.000 0.987 17 T CA -0.442 61.691 62.100 0.055 0.000 0.966 17 T CB 1.217 70.106 68.868 0.035 0.000 0.933 17 T HN 0.584 8.824 8.240 -0.000 0.000 0.442 18 V N 3.828 123.810 119.914 0.114 0.000 2.735 18 V HA 0.528 4.649 4.120 0.002 0.000 0.310 18 V C -0.434 175.767 176.094 0.179 0.000 1.061 18 V CA -0.952 61.430 62.300 0.136 0.000 0.913 18 V CB 2.278 34.189 31.823 0.147 0.000 1.005 18 V HN 0.728 8.918 8.190 -0.000 0.000 0.428 19 K N 2.439 122.924 120.400 0.143 0.000 2.376 19 K HA 0.678 5.000 4.320 0.002 0.000 0.257 19 K C -0.297 176.404 176.600 0.169 0.000 0.939 19 K CA -0.514 55.868 56.287 0.158 0.000 0.809 19 K CB 2.225 34.774 32.500 0.081 0.000 1.121 19 K HN 0.919 9.169 8.250 -0.000 0.000 0.425 20 T N -1.218 113.485 114.554 0.248 0.000 2.841 20 T HA 0.255 4.607 4.350 0.002 0.000 0.276 20 T C 0.837 175.652 174.700 0.192 0.000 1.003 20 T CA -0.691 61.530 62.100 0.202 0.000 0.995 20 T CB 1.017 70.013 68.868 0.213 0.000 1.260 20 T HN 0.393 8.633 8.240 -0.000 0.000 0.581 21 E N -0.633 119.670 120.200 0.173 0.000 2.409 21 E HA 0.070 4.422 4.350 0.002 0.000 0.198 21 E C 0.537 177.099 176.600 -0.063 0.000 1.024 21 E CA 0.877 57.306 56.400 0.049 0.000 0.861 21 E CB -0.380 29.329 29.700 0.015 0.000 0.788 21 E HN 0.651 9.011 8.360 -0.000 0.000 0.521 22 Y N -0.719 119.681 120.300 0.167 0.000 2.457 22 Y HA 0.370 4.921 4.550 0.002 0.000 0.263 22 Y C 1.044 177.119 175.900 0.293 0.000 1.164 22 Y CA 0.420 58.652 58.100 0.220 0.000 1.274 22 Y CB 0.980 39.577 38.460 0.229 0.000 1.097 22 Y HN 0.032 8.312 8.280 -0.000 0.000 0.523 23 G N -0.083 108.919 108.800 0.337 0.000 2.357 23 G HA2 0.012 3.974 3.960 0.002 0.000 0.289 23 G HA3 0.012 3.974 3.960 0.002 0.000 0.289 23 G C -1.683 173.181 174.900 -0.060 0.000 1.302 23 G CA -1.105 44.025 45.100 0.049 0.000 0.936 23 G HN -0.048 8.242 8.290 -0.000 0.000 0.513 24 E N -0.629 119.319 120.200 -0.419 0.000 2.166 24 E HA 0.707 5.058 4.350 0.002 0.000 0.275 24 E C -1.326 174.888 176.600 -0.644 0.000 0.941 24 E CA -0.683 55.544 56.400 -0.290 0.000 0.784 24 E CB 1.001 30.600 29.700 -0.169 0.000 1.115 24 E HN 0.325 8.685 8.360 -0.000 0.000 0.399 25 F N 0.956 120.937 119.950 0.053 0.000 2.588 25 F HA 0.301 4.830 4.527 0.003 0.000 0.310 25 F C 0.210 176.032 175.800 0.037 0.000 1.082 25 F CA -0.848 57.183 58.000 0.053 0.000 0.929 25 F CB 2.191 41.208 39.000 0.030 0.000 1.254 25 F HN 0.205 8.505 8.300 -0.000 0.000 0.455 26 T N 3.279 117.955 114.554 0.203 0.000 2.907 26 T HA 0.435 4.787 4.350 0.002 0.000 0.298 26 T C -0.469 174.302 174.700 0.118 0.000 1.017 26 T CA -0.145 62.023 62.100 0.112 0.000 1.118 26 T CB 0.570 69.473 68.868 0.057 0.000 0.948 26 T HN 0.566 8.806 8.240 -0.000 0.000 0.531 27 M N 3.884 123.520 119.600 0.060 0.000 2.263 27 M HA 0.551 5.033 4.480 0.002 0.000 0.295 27 M C -1.854 174.416 176.300 -0.049 0.000 1.028 27 M CA -1.064 54.251 55.300 0.024 0.000 0.921 27 M CB 1.419 34.043 32.600 0.041 0.000 1.601 27 M HN 0.455 8.745 8.290 -0.000 0.000 0.440 28 L N 4.713 125.884 121.223 -0.087 0.000 2.282 28 L HA 0.781 5.122 4.340 0.002 0.000 0.288 28 L C -0.068 176.585 176.870 -0.361 0.000 1.033 28 L CA 0.186 54.919 54.840 -0.179 0.000 0.807 28 L CB 1.579 43.565 42.059 -0.121 0.000 1.209 28 L HN 0.765 8.995 8.230 -0.000 0.000 0.423 29 G N 4.953 113.327 108.800 -0.710 0.000 2.372 29 G HA2 0.419 4.380 3.960 0.002 0.000 0.283 29 G HA3 0.419 4.380 3.960 0.002 0.000 0.283 29 G C 0.494 174.912 174.900 -0.803 0.000 1.177 29 G CA -0.476 43.649 45.100 -1.626 0.000 0.842 29 G HN 0.603 8.893 8.290 -0.000 0.000 0.503 30 I N 0.568 120.856 120.570 -0.470 0.000 3.136 30 I HA 0.246 4.417 4.170 0.002 0.000 0.262 30 I C 0.442 176.652 176.117 0.155 0.000 1.132 30 I CA 0.904 62.080 61.300 -0.208 0.000 1.450 30 I CB -0.880 36.797 38.000 -0.539 0.000 1.315 30 I HN 0.637 8.847 8.210 -0.000 0.000 0.460 31 Y N -0.693 119.696 120.300 0.148 0.000 2.702 31 Y HA 0.461 5.013 4.550 0.002 0.000 0.336 31 Y C 0.050 176.181 175.900 0.386 0.000 1.203 31 Y CA -1.479 56.767 58.100 0.243 0.000 1.072 31 Y CB 0.194 38.737 38.460 0.139 0.000 1.327 31 Y HN 0.160 8.440 8.280 -0.000 0.000 0.456 32 D N 1.187 121.629 120.400 0.070 0.000 3.574 32 D HA -0.331 4.311 4.640 0.002 0.000 0.153 32 D C 0.278 176.506 176.300 -0.119 0.000 0.965 32 D CA 3.119 57.067 54.000 -0.087 0.000 1.047 32 D CB -0.423 40.234 40.800 -0.237 0.000 0.492 32 D HN 0.831 9.201 8.370 -0.000 0.000 0.492 33 R N -1.067 119.310 120.500 -0.206 0.000 2.586 33 R HA 0.361 4.703 4.340 0.002 0.000 0.336 33 R C -0.892 175.328 176.300 -0.134 0.000 1.060 33 R CA -0.177 55.766 56.100 -0.262 0.000 1.079 33 R CB 0.261 30.352 30.300 -0.349 0.000 1.317 33 R HN 0.239 8.509 8.270 -0.000 0.000 0.568 34 W N 0.428 121.769 121.300 0.068 0.000 2.390 34 W HA 0.646 5.307 4.660 0.002 0.000 0.312 34 W C 0.212 176.838 176.519 0.178 0.000 1.123 34 W CA -0.469 56.947 57.345 0.117 0.000 1.202 34 W CB 1.260 30.746 29.460 0.043 0.000 1.251 34 W HN 0.027 8.207 8.180 -0.000 0.000 0.511 35 A N 2.090 125.143 122.820 0.389 0.000 2.483 35 A HA 0.871 5.192 4.320 0.002 0.000 0.286 35 A C -1.682 176.043 177.584 0.236 0.000 1.207 35 A CA -0.792 51.322 52.037 0.128 0.000 0.764 35 A CB 1.877 20.894 19.000 0.028 0.000 1.341 35 A HN 0.536 8.686 8.150 -0.000 0.000 0.428 36 V N 0.132 120.118 119.914 0.121 0.000 2.841 36 V HA 0.754 4.875 4.120 0.002 0.000 0.310 36 V C -1.520 174.597 176.094 0.039 0.000 1.090 36 V CA -0.499 61.886 62.300 0.142 0.000 0.930 36 V CB 1.550 33.516 31.823 0.238 0.000 1.014 36 V HN 0.818 9.008 8.190 -0.000 0.000 0.425 37 L N 6.033 127.247 121.223 -0.016 0.000 2.376 37 L HA 0.646 4.987 4.340 0.002 0.000 0.258 37 L C -2.565 174.199 176.870 -0.178 0.000 1.013 37 L CA -2.118 52.645 54.840 -0.127 0.000 0.822 37 L CB 3.078 44.989 42.059 -0.245 0.000 1.388 37 L HN 0.453 8.684 8.230 -0.000 0.000 0.413 38 P HA 0.084 4.504 4.420 -0.000 0.000 0.269 38 P C -0.007 177.065 177.300 -0.381 0.000 1.209 38 P CA -0.200 62.729 63.100 -0.285 0.000 0.776 38 P CB 0.638 32.073 31.700 -0.441 0.000 0.876 39 R N 2.676 123.049 120.500 -0.212 0.000 2.120 39 R HA -0.183 4.159 4.340 0.002 0.000 0.234 39 R C 1.932 178.111 176.300 -0.201 0.000 1.123 39 R CA 1.428 57.426 56.100 -0.170 0.000 0.975 39 R CB -0.492 29.763 30.300 -0.076 0.000 0.866 39 R HN 0.677 8.947 8.270 -0.000 0.000 0.446 40 H N -1.486 117.512 119.070 -0.119 0.000 2.559 40 H HA 0.090 4.647 4.556 0.002 0.000 0.273 40 H C 1.385 176.616 175.328 -0.162 0.000 1.000 40 H CA 0.794 56.776 56.048 -0.109 0.000 1.195 40 H CB -0.030 29.740 29.762 0.013 0.000 1.368 40 H HN 0.280 8.560 8.280 -0.000 0.000 0.592 41 A N 1.738 124.180 122.820 -0.630 0.000 2.067 41 A HA -0.109 4.212 4.320 0.002 0.000 0.219 41 A C 1.263 178.659 177.584 -0.313 0.000 1.158 41 A CA 0.584 52.162 52.037 -0.766 0.000 0.661 41 A CB -0.381 17.695 19.000 -1.540 0.000 0.801 41 A HN 0.482 8.632 8.150 -0.000 0.000 0.452 42 K N -0.759 119.456 120.400 -0.309 0.000 3.490 42 K HA -0.134 4.187 4.320 0.002 0.000 0.273 42 K C -2.403 174.139 176.600 -0.096 0.000 0.916 42 K CA 0.497 56.636 56.287 -0.247 0.000 0.718 42 K CB -1.627 30.566 32.500 -0.513 0.000 1.477 42 K HN 0.527 8.777 8.250 -0.000 0.000 0.452 43 P HA -0.029 4.391 4.420 -0.000 0.000 0.266 43 P C 0.630 177.930 177.300 0.000 0.000 1.195 43 P CA 0.327 63.410 63.100 -0.029 0.000 0.768 43 P CB 1.082 32.751 31.700 -0.051 0.000 0.838 44 G N 2.977 111.796 108.800 0.032 0.000 2.543 44 G HA2 0.323 4.285 3.960 0.002 0.000 0.267 44 G HA3 0.323 4.285 3.960 0.002 0.000 0.267 44 G C -1.452 173.455 174.900 0.012 0.000 1.406 44 G CA -0.911 44.208 45.100 0.031 0.000 1.048 44 G HN 0.319 8.609 8.290 -0.000 0.000 0.548 45 P HA 0.054 4.474 4.420 -0.000 0.000 0.230 45 P C 0.488 177.784 177.300 -0.006 0.000 1.158 45 P CA 1.129 64.228 63.100 -0.002 0.000 0.769 45 P CB 0.087 31.788 31.700 0.000 0.000 0.807 46 T N -1.844 112.713 114.554 0.004 0.000 2.903 46 T HA 0.693 5.045 4.350 0.002 0.000 0.299 46 T C -0.218 174.492 174.700 0.017 0.000 1.093 46 T CA -0.948 61.154 62.100 0.003 0.000 1.002 46 T CB 2.066 70.936 68.868 0.004 0.000 1.127 46 T HN 0.053 8.293 8.240 -0.000 0.000 0.488 47 I N -0.683 119.897 120.570 0.017 0.000 3.145 47 I HA 0.829 5.000 4.170 0.002 0.000 0.313 47 I C -1.592 174.545 176.117 0.033 0.000 1.122 47 I CA -1.806 59.515 61.300 0.035 0.000 0.987 47 I CB 1.974 39.997 38.000 0.038 0.000 1.236 47 I HN 0.599 8.809 8.210 -0.000 0.000 0.453 48 L N 3.594 124.845 121.223 0.046 0.000 2.272 48 L HA 0.558 4.900 4.340 0.002 0.000 0.289 48 L C -0.583 176.316 176.870 0.048 0.000 1.032 48 L CA -0.234 54.629 54.840 0.038 0.000 0.810 48 L CB 1.274 43.356 42.059 0.038 0.000 1.205 48 L HN 0.736 8.966 8.230 -0.000 0.000 0.422 49 M N 5.261 124.884 119.600 0.038 0.000 2.134 49 M HA 0.370 4.851 4.480 0.002 0.000 0.310 49 M C -0.433 175.889 176.300 0.036 0.000 0.966 49 M CA -0.316 55.013 55.300 0.048 0.000 0.922 49 M CB 0.653 33.284 32.600 0.052 0.000 1.537 49 M HN 0.686 8.976 8.290 -0.000 0.000 0.424 50 N N 3.856 122.579 118.700 0.038 0.000 2.714 50 N HA -0.197 4.545 4.740 0.002 0.000 0.253 50 N C -0.684 174.836 175.510 0.017 0.000 1.024 50 N CA 1.558 54.624 53.050 0.026 0.000 0.726 50 N CB -1.247 37.255 38.487 0.025 0.000 0.908 50 N HN 0.953 9.333 8.380 -0.000 0.000 0.542 51 D N -2.206 118.205 120.400 0.018 0.000 3.079 51 D HA -0.238 4.403 4.640 0.002 0.000 0.214 51 D C 0.248 176.553 176.300 0.008 0.000 1.145 51 D CA 1.568 55.575 54.000 0.011 0.000 0.958 51 D CB -0.888 39.916 40.800 0.006 0.000 1.117 51 D HN 0.831 9.201 8.370 -0.000 0.000 0.416 52 Q N 0.416 120.222 119.800 0.010 0.000 2.353 52 Q HA 0.330 4.671 4.340 0.002 0.000 0.268 52 Q C -0.627 175.376 176.000 0.005 0.000 1.045 52 Q CA -0.592 55.213 55.803 0.004 0.000 0.811 52 Q CB 1.595 30.333 28.738 -0.000 0.000 1.305 52 Q HN -0.038 8.232 8.270 -0.000 0.000 0.447 53 E N 2.024 122.224 120.200 0.001 0.000 2.344 53 E HA 0.196 4.548 4.350 0.002 0.000 0.270 53 E C -1.012 175.583 176.600 -0.007 0.000 1.021 53 E CA 0.004 56.405 56.400 0.001 0.000 0.887 53 E CB 1.436 31.135 29.700 -0.001 0.000 0.997 53 E HN 0.337 8.697 8.360 -0.000 0.000 0.429 54 V N 2.313 122.222 119.914 -0.007 0.000 2.638 54 V HA 0.348 4.470 4.120 0.002 0.000 0.306 54 V C 0.482 176.562 176.094 -0.025 0.000 1.052 54 V CA -0.920 61.368 62.300 -0.020 0.000 0.885 54 V CB 2.057 33.870 31.823 -0.017 0.000 0.999 54 V HN 0.780 8.970 8.190 -0.000 0.000 0.424 55 G N 2.831 111.608 108.800 -0.038 0.000 2.483 55 G HA2 0.470 4.431 3.960 0.002 0.000 0.248 55 G HA3 0.470 4.431 3.960 0.002 0.000 0.248 55 G C -0.587 174.277 174.900 -0.060 0.000 1.248 55 G CA -0.225 44.849 45.100 -0.042 0.000 0.838 55 G HN 0.577 8.867 8.290 -0.000 0.000 0.566 56 V N 3.278 123.158 119.914 -0.056 0.000 2.347 56 V HA 0.174 4.295 4.120 0.002 0.000 0.280 56 V C 1.062 177.102 176.094 -0.090 0.000 1.021 56 V CA -0.364 61.889 62.300 -0.078 0.000 0.847 56 V CB 1.323 33.116 31.823 -0.051 0.000 0.990 56 V HN 0.722 8.912 8.190 -0.000 0.000 0.444 57 L N 2.352 123.491 121.223 -0.140 0.000 2.341 57 L HA 0.301 4.643 4.340 0.002 0.000 0.214 57 L C 0.466 177.272 176.870 -0.108 0.000 1.115 57 L CA 0.881 55.644 54.840 -0.128 0.000 0.820 57 L CB 0.150 42.105 42.059 -0.173 0.000 0.944 57 L HN 0.664 8.894 8.230 -0.000 0.000 0.452 58 D N -1.156 119.163 120.400 -0.135 0.000 2.685 58 D HA 0.590 5.232 4.640 0.002 0.000 0.236 58 D C -1.759 174.542 176.300 0.001 0.000 1.233 58 D CA -0.166 53.812 54.000 -0.036 0.000 0.760 58 D CB 1.888 42.708 40.800 0.034 0.000 1.410 58 D HN -0.044 8.326 8.370 -0.000 0.000 0.439 59 A N 2.192 125.064 122.820 0.086 0.000 2.459 59 A HA 0.734 5.055 4.320 0.002 0.000 0.296 59 A C -1.262 176.390 177.584 0.113 0.000 1.039 59 A CA -0.771 51.330 52.037 0.106 0.000 0.698 59 A CB 1.375 20.395 19.000 0.033 0.000 1.261 59 A HN 0.309 8.459 8.150 -0.000 0.000 0.405 60 K N 2.336 122.808 120.400 0.120 0.000 2.502 60 K HA 0.358 4.680 4.320 0.002 0.000 0.254 60 K C -1.123 175.454 176.600 -0.039 0.000 0.947 60 K CA -0.378 55.928 56.287 0.032 0.000 0.834 60 K CB 2.492 34.997 32.500 0.008 0.000 1.112 60 K HN 0.764 9.014 8.250 -0.000 0.000 0.427 61 E N 3.953 124.119 120.200 -0.057 0.000 2.105 61 E HA 0.162 4.513 4.350 0.002 0.000 0.285 61 E C -0.299 176.229 176.600 -0.120 0.000 1.055 61 E CA -0.358 55.990 56.400 -0.087 0.000 0.843 61 E CB 0.878 30.536 29.700 -0.070 0.000 1.067 61 E HN 0.275 8.635 8.360 -0.000 0.000 0.398 62 L N 3.951 125.063 121.223 -0.185 0.000 2.367 62 L HA 0.249 4.591 4.340 0.002 0.000 0.275 62 L C 0.252 177.018 176.870 -0.173 0.000 1.129 62 L CA -0.437 54.254 54.840 -0.249 0.000 0.839 62 L CB 0.339 42.109 42.059 -0.482 0.000 1.133 62 L HN 0.326 8.556 8.230 -0.000 0.000 0.453 63 V N -1.073 118.765 119.914 -0.126 0.000 3.040 63 V HA 0.581 4.703 4.120 0.002 0.000 0.312 63 V C -0.650 175.430 176.094 -0.023 0.000 1.115 63 V CA -1.085 61.178 62.300 -0.060 0.000 0.998 63 V CB 2.015 33.818 31.823 -0.033 0.000 1.042 63 V HN 0.750 8.941 8.190 -0.000 0.000 0.433 64 D N 1.548 121.960 120.400 0.020 0.000 2.447 64 D HA 0.182 4.823 4.640 0.002 0.000 0.265 64 D C 1.079 177.405 176.300 0.042 0.000 1.250 64 D CA -0.048 53.989 54.000 0.061 0.000 1.046 64 D CB 0.739 41.589 40.800 0.082 0.000 1.095 64 D HN 0.824 9.194 8.370 -0.000 0.000 0.555 65 K N -1.199 119.229 120.400 0.046 0.000 2.360 65 K HA -0.128 4.194 4.320 0.002 0.000 0.201 65 K C 0.160 176.772 176.600 0.021 0.000 1.046 65 K CA 1.279 57.584 56.287 0.028 0.000 0.940 65 K CB -0.125 32.387 32.500 0.021 0.000 0.748 65 K HN 0.224 8.474 8.250 -0.000 0.000 0.465 66 D N 0.101 120.516 120.400 0.025 0.000 2.424 66 D HA 0.112 4.754 4.640 0.002 0.000 0.220 66 D C 0.571 176.884 176.300 0.021 0.000 1.150 66 D CA 0.573 54.586 54.000 0.021 0.000 0.831 66 D CB 0.950 41.763 40.800 0.022 0.000 0.981 66 D HN 0.498 8.868 8.370 -0.000 0.000 0.500 67 G N 1.161 109.972 108.800 0.018 0.000 2.159 67 G HA2 -0.269 3.692 3.960 0.002 0.000 0.256 67 G HA3 -0.269 3.692 3.960 0.002 0.000 0.256 67 G C 0.586 175.496 174.900 0.016 0.000 0.977 67 G CA 0.293 45.400 45.100 0.012 0.000 0.652 67 G HN 0.289 8.579 8.290 -0.000 0.000 0.531 68 T N 1.170 115.741 114.554 0.029 0.000 2.851 68 T HA 0.312 4.663 4.350 0.002 0.000 0.298 68 T C 0.675 175.384 174.700 0.015 0.000 0.977 68 T CA -0.023 62.100 62.100 0.039 0.000 1.126 68 T CB 1.058 69.970 68.868 0.074 0.000 0.916 68 T HN 0.476 8.716 8.240 -0.000 0.000 0.529 69 N N 2.677 121.377 118.700 0.000 0.000 2.356 69 N HA -0.010 4.731 4.740 0.002 0.000 0.252 69 N C 0.346 175.841 175.510 -0.026 0.000 1.241 69 N CA -0.068 52.968 53.050 -0.024 0.000 0.861 69 N CB 0.372 38.841 38.487 -0.029 0.000 1.075 69 N HN 0.545 8.925 8.380 -0.000 0.000 0.461 70 L N 1.844 123.039 121.223 -0.046 0.000 2.766 70 L HA 0.131 4.473 4.340 0.002 0.000 0.242 70 L C 0.503 177.355 176.870 -0.031 0.000 1.136 70 L CA -0.011 54.806 54.840 -0.039 0.000 0.933 70 L CB -0.017 41.983 42.059 -0.098 0.000 1.241 70 L HN 0.659 8.889 8.230 -0.000 0.000 0.522 71 E N 0.937 121.116 120.200 -0.034 0.000 2.868 71 E HA -0.207 4.144 4.350 0.002 0.000 0.278 71 E C -0.803 175.780 176.600 -0.029 0.000 1.009 71 E CA 0.646 57.045 56.400 -0.002 0.000 0.856 71 E CB -1.417 28.320 29.700 0.061 0.000 1.428 71 E HN 0.384 8.743 8.360 -0.000 0.000 0.423 72 L N -0.304 120.867 121.223 -0.087 0.000 2.386 72 L HA 0.601 4.943 4.340 0.002 0.000 0.271 72 L C -0.118 176.673 176.870 -0.131 0.000 0.993 72 L CA -0.809 53.968 54.840 -0.105 0.000 0.819 72 L CB 2.353 44.329 42.059 -0.139 0.000 1.294 72 L HN -0.087 8.143 8.230 -0.000 0.000 0.414 73 T N 3.765 118.258 114.554 -0.103 0.000 2.809 73 T HA 0.534 4.885 4.350 0.002 0.000 0.284 73 T C -0.267 174.434 174.700 0.001 0.000 0.992 73 T CA -0.447 61.608 62.100 -0.075 0.000 0.957 73 T CB 1.052 69.864 68.868 -0.093 0.000 0.942 73 T HN 0.254 8.495 8.240 -0.000 0.000 0.439 74 L N 5.208 126.461 121.223 0.050 0.000 2.292 74 L HA 0.672 5.013 4.340 0.002 0.000 0.284 74 L C -0.098 177.001 176.870 0.381 0.000 1.065 74 L CA -0.887 54.096 54.840 0.238 0.000 0.806 74 L CB 0.669 42.804 42.059 0.127 0.000 1.175 74 L HN 0.491 8.721 8.230 -0.000 0.000 0.431 75 L N 0.948 122.399 121.223 0.380 0.000 2.401 75 L HA 0.673 5.015 4.340 0.002 0.000 0.266 75 L C -0.840 175.955 176.870 -0.125 0.000 0.991 75 L CA -0.879 54.046 54.840 0.141 0.000 0.818 75 L CB 2.130 44.214 42.059 0.042 0.000 1.321 75 L HN 0.502 8.732 8.230 -0.000 0.000 0.413 76 K N 3.654 123.697 120.400 -0.595 0.000 2.265 76 K HA 0.628 4.950 4.320 0.002 0.000 0.267 76 K C -1.293 175.030 176.600 -0.463 0.000 0.994 76 K CA -0.606 55.081 56.287 -1.000 0.000 0.860 76 K CB 1.404 32.918 32.500 -1.644 0.000 1.099 76 K HN 0.737 8.987 8.250 -0.000 0.000 0.448 77 L N 3.033 124.058 121.223 -0.329 0.000 2.343 77 L HA 0.272 4.613 4.340 0.002 0.000 0.275 77 L C 0.322 177.068 176.870 -0.207 0.000 1.056 77 L CA -0.956 53.766 54.840 -0.196 0.000 0.804 77 L CB 1.017 43.008 42.059 -0.114 0.000 1.203 77 L HN 0.613 8.843 8.230 -0.000 0.000 0.440 78 N N 3.520 122.130 118.700 -0.150 0.000 2.807 78 N HA 0.167 4.908 4.740 0.002 0.000 0.259 78 N C -0.861 174.576 175.510 -0.121 0.000 1.149 78 N CA -0.328 52.645 53.050 -0.129 0.000 1.042 78 N CB 0.020 38.450 38.487 -0.095 0.000 1.367 78 N HN 0.618 8.998 8.380 -0.000 0.000 0.516 79 R N 1.106 121.515 120.500 -0.152 0.000 2.668 79 R HA 0.416 4.757 4.340 0.002 0.000 0.272 79 R C -0.369 175.834 176.300 -0.161 0.000 1.019 79 R CA -0.810 55.200 56.100 -0.151 0.000 0.894 79 R CB 0.600 30.794 30.300 -0.178 0.000 1.228 79 R HN -0.003 8.267 8.270 -0.000 0.000 0.460 80 N N 0.889 119.511 118.700 -0.129 0.000 2.207 80 N HA -0.113 4.629 4.740 0.002 0.000 0.182 80 N C -0.137 175.290 175.510 -0.138 0.000 1.020 80 N CA 0.906 53.888 53.050 -0.115 0.000 0.858 80 N CB 0.034 38.472 38.487 -0.081 0.000 0.991 80 N HN 0.654 9.034 8.380 -0.000 0.000 0.427 81 E N 1.716 121.819 120.200 -0.161 0.000 2.415 81 E HA -0.003 4.348 4.350 0.002 0.000 0.263 81 E C -0.596 175.832 176.600 -0.287 0.000 0.995 81 E CA 0.247 56.538 56.400 -0.182 0.000 0.915 81 E CB 0.531 30.126 29.700 -0.175 0.000 0.951 81 E HN 0.040 8.400 8.360 -0.000 0.000 0.449 82 K N 3.333 123.603 120.400 -0.217 0.000 2.123 82 K HA 0.258 4.579 4.320 0.002 0.000 0.259 82 K C -0.689 175.791 176.600 -0.200 0.000 0.960 82 K CA -0.772 55.373 56.287 -0.237 0.000 0.872 82 K CB 0.829 33.282 32.500 -0.079 0.000 1.079 82 K HN 0.327 8.577 8.250 -0.000 0.000 0.440 83 F N 1.577 121.526 119.950 -0.001 0.000 2.418 83 F HA 0.141 4.670 4.527 0.002 0.000 0.341 83 F C 1.354 177.184 175.800 0.050 0.000 1.120 83 F CA -0.395 57.616 58.000 0.019 0.000 1.232 83 F CB 0.351 39.365 39.000 0.024 0.000 1.175 83 F HN 0.254 8.554 8.300 -0.000 0.000 0.569 84 R N 2.534 123.187 120.500 0.255 0.000 2.522 84 R HA -0.044 4.298 4.340 0.002 0.000 0.284 84 R C -0.679 175.745 176.300 0.206 0.000 1.032 84 R CA -0.266 55.942 56.100 0.179 0.000 1.049 84 R CB 0.180 30.560 30.300 0.133 0.000 0.956 84 R HN 0.629 8.899 8.270 -0.000 0.000 0.422 85 D N 5.047 125.563 120.400 0.193 0.000 2.346 85 D HA -0.015 4.626 4.640 0.002 0.000 0.260 85 D C 0.964 177.358 176.300 0.156 0.000 1.252 85 D CA -0.136 53.980 54.000 0.194 0.000 0.895 85 D CB 0.267 41.163 40.800 0.159 0.000 1.097 85 D HN 0.621 8.991 8.370 -0.000 0.000 0.489 86 I N 0.732 121.395 120.570 0.155 0.000 3.914 86 I HA 0.263 4.434 4.170 0.002 0.000 0.333 86 I C 1.469 177.675 176.117 0.148 0.000 1.449 86 I CA -0.675 60.788 61.300 0.271 0.000 1.135 86 I CB 0.246 38.418 38.000 0.286 0.000 1.073 86 I HN 0.048 8.258 8.210 -0.000 0.000 0.401 87 R N 1.738 122.232 120.500 -0.009 0.000 2.159 87 R HA -0.044 4.297 4.340 0.002 0.000 0.237 87 R C 2.278 178.539 176.300 -0.064 0.000 1.131 87 R CA 1.528 57.585 56.100 -0.072 0.000 0.982 87 R CB -0.394 29.819 30.300 -0.145 0.000 0.868 87 R HN 0.627 8.897 8.270 -0.000 0.000 0.453 88 G N -0.224 108.485 108.800 -0.152 0.000 2.509 88 G HA2 -0.197 3.764 3.960 0.002 0.000 0.218 88 G HA3 -0.197 3.764 3.960 0.002 0.000 0.218 88 G C 0.825 175.560 174.900 -0.276 0.000 1.124 88 G CA 0.278 45.224 45.100 -0.257 0.000 0.776 88 G HN 0.211 8.501 8.290 -0.000 0.000 0.547 89 F N 0.358 120.320 119.950 0.019 0.000 2.789 89 F HA 0.387 4.916 4.527 0.004 0.000 0.300 89 F C 1.002 176.814 175.800 0.021 0.000 1.132 89 F CA -0.246 57.779 58.000 0.041 0.000 1.404 89 F CB 0.095 39.180 39.000 0.143 0.000 1.114 89 F HN -0.089 8.211 8.300 -0.000 0.000 0.584 90 L N 0.412 121.720 121.223 0.141 0.000 2.292 90 L HA 0.578 4.919 4.340 0.002 0.000 0.284 90 L C 0.535 177.432 176.870 0.046 0.000 1.065 90 L CA -0.998 53.897 54.840 0.093 0.000 0.806 90 L CB 0.866 42.972 42.059 0.078 0.000 1.175 90 L HN -0.057 8.173 8.230 -0.000 0.000 0.431 91 A N 3.290 126.134 122.820 0.040 0.000 2.332 91 A HA 0.279 4.600 4.320 0.002 0.000 0.258 91 A C 0.919 178.503 177.584 0.001 0.000 1.087 91 A CA -0.277 51.770 52.037 0.018 0.000 0.802 91 A CB 0.466 19.481 19.000 0.024 0.000 1.042 91 A HN 0.882 9.032 8.150 -0.000 0.000 0.489 92 K N -0.155 120.244 120.400 -0.001 0.000 2.305 92 K HA -0.002 4.320 4.320 0.002 0.000 0.199 92 K C 0.434 177.036 176.600 0.004 0.000 1.047 92 K CA 1.336 57.624 56.287 0.000 0.000 0.976 92 K CB 0.127 32.623 32.500 -0.007 0.000 0.765 92 K HN 0.893 9.143 8.250 -0.000 0.000 0.474 93 E N 0.347 120.550 120.200 0.006 0.000 2.433 93 E HA 0.237 4.588 4.350 0.002 0.000 0.273 93 E C -1.357 175.262 176.600 0.030 0.000 0.950 93 E CA -0.967 55.443 56.400 0.017 0.000 0.796 93 E CB 0.979 30.687 29.700 0.014 0.000 1.330 93 E HN -0.191 8.169 8.360 -0.000 0.000 0.455 94 E N 0.454 120.683 120.200 0.049 0.000 2.558 94 E HA 0.121 4.472 4.350 0.002 0.000 0.255 94 E C -0.734 175.904 176.600 0.063 0.000 0.968 94 E CA 0.247 56.689 56.400 0.070 0.000 0.939 94 E CB 0.727 30.479 29.700 0.087 0.000 0.921 94 E HN 0.267 8.627 8.360 -0.000 0.000 0.477 95 V N 3.917 123.873 119.914 0.069 0.000 2.427 95 V HA 0.191 4.313 4.120 0.002 0.000 0.286 95 V C 0.231 176.368 176.094 0.072 0.000 1.034 95 V CA -0.575 61.760 62.300 0.059 0.000 0.893 95 V CB 1.374 33.225 31.823 0.046 0.000 0.982 95 V HN 0.606 8.796 8.190 -0.000 0.000 0.452 96 E N 2.639 122.878 120.200 0.064 0.000 2.204 96 E HA 0.731 5.083 4.350 0.002 0.000 0.276 96 E C -1.174 175.457 176.600 0.053 0.000 0.974 96 E CA -0.467 55.977 56.400 0.074 0.000 0.815 96 E CB 2.686 32.430 29.700 0.074 0.000 1.119 96 E HN 0.404 8.764 8.360 -0.000 0.000 0.393 97 V N 2.515 122.462 119.914 0.054 0.000 3.147 97 V HA 0.137 4.259 4.120 0.002 0.000 0.306 97 V C -0.490 175.628 176.094 0.039 0.000 1.209 97 V CA -0.501 61.819 62.300 0.033 0.000 1.023 97 V CB 2.295 34.126 31.823 0.014 0.000 1.059 97 V HN 0.773 8.963 8.190 -0.000 0.000 0.435 98 N N 1.648 120.365 118.700 0.028 0.000 2.376 98 N HA 0.133 4.875 4.740 0.002 0.000 0.177 98 N C -0.604 174.923 175.510 0.028 0.000 1.024 98 N CA 0.402 53.471 53.050 0.032 0.000 0.893 98 N CB 0.318 38.820 38.487 0.025 0.000 0.980 98 N HN 0.532 8.912 8.380 -0.000 0.000 0.439 99 E N 0.284 120.493 120.200 0.015 0.000 2.302 99 E HA 0.492 4.843 4.350 0.002 0.000 0.263 99 E C -1.208 175.389 176.600 -0.005 0.000 0.897 99 E CA -0.342 56.063 56.400 0.008 0.000 0.809 99 E CB 1.837 31.541 29.700 0.007 0.000 1.270 99 E HN 0.132 8.492 8.360 -0.000 0.000 0.410 100 A N 1.923 124.729 122.820 -0.023 0.000 2.387 100 A HA 0.845 5.167 4.320 0.002 0.000 0.303 100 A C -0.782 176.760 177.584 -0.070 0.000 1.145 100 A CA -0.659 51.346 52.037 -0.054 0.000 0.801 100 A CB 1.541 20.475 19.000 -0.110 0.000 1.342 100 A HN 0.255 8.405 8.150 -0.000 0.000 0.440 101 V N 0.890 120.768 119.914 -0.060 0.000 2.588 101 V HA 0.461 4.582 4.120 0.002 0.000 0.304 101 V C -1.076 174.941 176.094 -0.129 0.000 1.042 101 V CA -0.476 61.799 62.300 -0.042 0.000 0.877 101 V CB 1.519 33.410 31.823 0.114 0.000 0.996 101 V HN 0.801 8.991 8.190 -0.000 0.000 0.425 102 L N 4.945 126.023 121.223 -0.242 0.000 2.272 102 L HA 0.865 5.206 4.340 0.002 0.000 0.289 102 L C 0.205 176.914 176.870 -0.270 0.000 1.032 102 L CA -0.085 54.561 54.840 -0.322 0.000 0.810 102 L CB 1.096 42.824 42.059 -0.553 0.000 1.205 102 L HN 0.751 8.981 8.230 -0.000 0.000 0.422 103 A N 6.730 129.399 122.820 -0.252 0.000 2.271 103 A HA 0.772 5.094 4.320 0.002 0.000 0.317 103 A C -0.837 176.528 177.584 -0.365 0.000 1.245 103 A CA -0.546 51.236 52.037 -0.425 0.000 0.857 103 A CB 0.297 19.089 19.000 -0.346 0.000 1.175 103 A HN 0.567 8.717 8.150 -0.000 0.000 0.512 104 I N 1.926 122.248 120.570 -0.414 0.000 2.530 104 I HA 0.450 4.622 4.170 0.002 0.000 0.297 104 I C -0.491 175.513 176.117 -0.187 0.000 1.011 104 I CA -0.818 60.342 61.300 -0.233 0.000 1.107 104 I CB 1.883 39.757 38.000 -0.210 0.000 1.285 104 I HN 0.731 8.941 8.210 -0.000 0.000 0.436 105 N N 3.434 122.089 118.700 -0.074 0.000 2.621 105 N HA 0.445 5.186 4.740 0.002 0.000 0.271 105 N C -0.965 174.555 175.510 0.018 0.000 1.181 105 N CA -0.203 52.825 53.050 -0.035 0.000 0.805 105 N CB 1.142 39.592 38.487 -0.063 0.000 1.351 105 N HN 0.838 9.218 8.380 -0.000 0.000 0.539 106 T N -1.271 113.312 114.554 0.048 0.000 2.804 106 T HA 0.372 4.724 4.350 0.002 0.000 0.290 106 T C 1.140 175.833 174.700 -0.012 0.000 1.099 106 T CA -0.041 62.071 62.100 0.021 0.000 1.011 106 T CB 0.663 69.540 68.868 0.015 0.000 1.291 106 T HN 0.183 8.423 8.240 -0.000 0.000 0.523 107 S N -0.210 115.462 115.700 -0.047 0.000 2.442 107 S HA -0.104 4.368 4.470 0.002 0.000 0.236 107 S C 1.738 176.262 174.600 -0.126 0.000 1.007 107 S CA 1.128 59.288 58.200 -0.067 0.000 0.965 107 S CB -0.581 62.579 63.200 -0.065 0.000 0.773 107 S HN 0.794 9.104 8.310 -0.000 0.000 0.504 108 K N 0.284 120.553 120.400 -0.219 0.000 2.137 108 K HA 0.149 4.470 4.320 0.002 0.000 0.202 108 K C -0.523 175.752 176.600 -0.542 0.000 1.052 108 K CA 0.602 56.606 56.287 -0.471 0.000 0.961 108 K CB 0.065 32.126 32.500 -0.733 0.000 0.741 108 K HN 0.490 8.740 8.250 -0.000 0.000 0.452 109 F N 2.060 121.985 119.950 -0.042 0.000 2.564 109 F HA 0.347 4.874 4.527 -0.000 0.000 0.361 109 F C -2.488 173.281 175.800 -0.052 0.000 1.161 109 F CA -2.555 55.419 58.000 -0.044 0.000 1.198 109 F CB 1.635 40.602 39.000 -0.055 0.000 1.424 109 F HN -0.120 8.180 8.300 -0.000 0.000 0.517 110 P HA 0.185 4.605 4.420 -0.000 0.000 0.287 110 P C -0.465 176.870 177.300 0.058 0.000 1.281 110 P CA -0.229 62.908 63.100 0.061 0.000 0.781 110 P CB 0.611 32.334 31.700 0.038 0.000 0.903 111 N N 1.525 120.235 118.700 0.017 0.000 2.714 111 N HA -0.141 4.601 4.740 0.002 0.000 0.253 111 N C -0.577 174.951 175.510 0.030 0.000 1.024 111 N CA 1.077 54.143 53.050 0.027 0.000 0.726 111 N CB -1.021 37.541 38.487 0.126 0.000 0.908 111 N HN 0.449 8.829 8.380 -0.000 0.000 0.542 112 M N 0.343 119.848 119.600 -0.158 0.000 2.363 112 M HA 0.376 4.858 4.480 0.002 0.000 0.343 112 M C -0.166 175.890 176.300 -0.406 0.000 1.165 112 M CA -0.273 54.959 55.300 -0.113 0.000 1.046 112 M CB 1.024 33.570 32.600 -0.089 0.000 1.648 112 M HN 0.031 8.321 8.290 -0.000 0.000 0.452 113 Y N 2.194 122.503 120.300 0.015 0.000 2.425 113 Y HA 0.633 5.183 4.550 0.001 0.000 0.344 113 Y C -0.308 175.558 175.900 -0.056 0.000 0.969 113 Y CA -0.646 57.466 58.100 0.020 0.000 1.052 113 Y CB 1.860 40.470 38.460 0.249 0.000 1.215 113 Y HN 0.523 8.803 8.280 -0.000 0.000 0.451 114 I N 5.641 126.187 120.570 -0.040 0.000 2.418 114 I HA 0.363 4.535 4.170 0.002 0.000 0.287 114 I C -2.576 173.454 176.117 -0.145 0.000 1.008 114 I CA -2.359 58.848 61.300 -0.155 0.000 1.104 114 I CB 2.330 40.087 38.000 -0.404 0.000 1.264 114 I HN 0.318 8.528 8.210 -0.000 0.000 0.438 115 P HA 0.061 4.481 4.420 -0.000 0.000 0.281 115 P C 0.483 177.740 177.300 -0.073 0.000 1.286 115 P CA -0.103 62.960 63.100 -0.063 0.000 0.772 115 P CB 1.433 33.108 31.700 -0.041 0.000 0.862 116 V N 0.488 120.343 119.914 -0.099 0.000 3.578 116 V HA 0.418 4.539 4.120 0.002 0.000 0.290 116 V C 1.017 177.156 176.094 0.075 0.000 1.376 116 V CA 0.697 62.984 62.300 -0.022 0.000 1.083 116 V CB -0.849 30.900 31.823 -0.124 0.000 0.911 116 V HN 0.758 8.948 8.190 -0.000 0.000 0.433 117 G N 1.344 110.164 108.800 0.032 0.000 2.527 117 G HA2 -0.365 3.597 3.960 0.002 0.000 0.268 117 G HA3 -0.365 3.597 3.960 0.002 0.000 0.268 117 G C -0.115 174.828 174.900 0.072 0.000 1.175 117 G CA 0.541 45.675 45.100 0.057 0.000 0.962 117 G HN 1.039 9.329 8.290 -0.000 0.000 0.560 118 Q N -0.052 119.807 119.800 0.099 0.000 2.311 118 Q HA 0.522 4.864 4.340 0.002 0.000 0.272 118 Q C -0.114 175.985 176.000 0.165 0.000 1.012 118 Q CA -0.005 55.863 55.803 0.108 0.000 0.891 118 Q CB 1.171 29.969 28.738 0.100 0.000 1.201 118 Q HN 0.898 9.168 8.270 -0.000 0.000 0.391 119 V N 4.718 124.721 119.914 0.148 0.000 2.417 119 V HA 0.558 4.679 4.120 0.002 0.000 0.291 119 V C -0.190 176.016 176.094 0.187 0.000 1.024 119 V CA -0.277 62.152 62.300 0.214 0.000 0.861 119 V CB 1.559 33.471 31.823 0.148 0.000 0.985 119 V HN 1.006 9.196 8.190 -0.000 0.000 0.436 120 T N 0.852 115.539 114.554 0.222 0.000 2.863 120 T HA 0.520 4.872 4.350 0.002 0.000 0.285 120 T C -0.452 174.377 174.700 0.215 0.000 1.009 120 T CA -0.733 61.481 62.100 0.191 0.000 0.989 120 T CB 1.837 70.819 68.868 0.190 0.000 1.004 120 T HN 0.686 8.926 8.240 -0.000 0.000 0.455 121 E N 2.068 122.373 120.200 0.174 0.000 2.104 121 E HA 0.102 4.454 4.350 0.002 0.000 0.278 121 E C -0.541 176.173 176.600 0.190 0.000 1.127 121 E CA -0.419 56.082 56.400 0.168 0.000 0.897 121 E CB 0.301 30.068 29.700 0.112 0.000 1.043 121 E HN 0.775 9.135 8.360 -0.000 0.000 0.410 122 Y N 5.026 125.376 120.300 0.084 0.000 2.389 122 Y HA 0.189 4.741 4.550 0.003 0.000 0.292 122 Y C 1.285 177.226 175.900 0.068 0.000 1.117 122 Y CA 1.495 59.633 58.100 0.064 0.000 1.195 122 Y CB 0.573 39.059 38.460 0.043 0.000 1.076 122 Y HN 0.823 9.103 8.280 -0.000 0.000 0.548 123 G N 0.414 109.297 108.800 0.139 0.000 3.076 123 G HA2 -0.332 3.629 3.960 0.002 0.000 0.256 123 G HA3 -0.332 3.629 3.960 0.002 0.000 0.256 123 G C -0.292 174.684 174.900 0.127 0.000 1.589 123 G CA -0.065 45.092 45.100 0.094 0.000 1.044 123 G HN 0.360 8.650 8.290 -0.000 0.000 0.563 124 F N 2.662 122.599 119.950 -0.020 0.000 2.410 124 F HA 0.778 5.307 4.527 0.003 0.000 0.348 124 F C 0.132 175.956 175.800 0.040 0.000 1.106 124 F CA -0.517 57.483 58.000 -0.001 0.000 1.163 124 F CB 0.621 39.601 39.000 -0.033 0.000 1.129 124 F HN 0.435 8.735 8.300 -0.000 0.000 0.516 125 L N 5.229 125.921 121.223 -0.885 0.000 2.445 125 L HA 0.287 4.629 4.340 0.002 0.000 0.262 125 L C -1.133 175.196 176.870 -0.901 0.000 0.974 125 L CA -0.998 53.467 54.840 -0.626 0.000 0.822 125 L CB 2.392 44.163 42.059 -0.481 0.000 1.339 125 L HN 0.585 8.815 8.230 -0.000 0.000 0.409 126 N N 2.670 121.085 118.700 -0.475 0.000 2.414 126 N HA 0.419 5.161 4.740 0.002 0.000 0.256 126 N C -1.266 174.108 175.510 -0.226 0.000 1.029 126 N CA -0.415 52.463 53.050 -0.286 0.000 0.948 126 N CB 0.677 39.148 38.487 -0.026 0.000 1.102 126 N HN 0.439 8.819 8.380 -0.000 0.000 0.496 127 L N 3.742 124.841 121.223 -0.205 0.000 2.264 127 L HA 0.379 4.720 4.340 0.002 0.000 0.287 127 L C 1.132 177.960 176.870 -0.069 0.000 1.039 127 L CA -0.764 53.994 54.840 -0.136 0.000 0.829 127 L CB 1.009 43.008 42.059 -0.100 0.000 1.211 127 L HN 0.869 9.099 8.230 -0.000 0.000 0.427 128 G N 2.480 111.250 108.800 -0.050 0.000 2.379 128 G HA2 -0.190 3.772 3.960 0.002 0.000 0.297 128 G HA3 -0.190 3.772 3.960 0.002 0.000 0.297 128 G C 0.970 175.858 174.900 -0.020 0.000 1.004 128 G CA 0.753 45.837 45.100 -0.027 0.000 0.921 128 G HN 1.241 9.531 8.290 -0.000 0.000 0.511 129 G N -2.692 106.095 108.800 -0.022 0.000 2.175 129 G HA2 -0.069 3.893 3.960 0.002 0.000 0.244 129 G HA3 -0.069 3.893 3.960 0.002 0.000 0.244 129 G C 0.296 175.192 174.900 -0.007 0.000 0.982 129 G CA 0.718 45.815 45.100 -0.006 0.000 0.641 129 G HN 1.663 9.953 8.290 -0.000 0.000 0.527 130 T N 3.090 117.626 114.554 -0.031 0.000 2.756 130 T HA 0.557 4.908 4.350 0.002 0.000 0.290 130 T C -2.601 172.051 174.700 -0.079 0.000 0.985 130 T CA -1.051 61.029 62.100 -0.033 0.000 0.955 130 T CB 2.399 71.248 68.868 -0.033 0.000 0.930 130 T HN 0.050 8.290 8.240 -0.000 0.000 0.451 131 P HA 0.279 4.699 4.420 -0.000 0.000 0.267 131 P C -0.590 176.612 177.300 -0.163 0.000 1.205 131 P CA -0.044 63.013 63.100 -0.071 0.000 0.765 131 P CB 0.445 32.291 31.700 0.242 0.000 0.828 132 T N 3.101 117.405 114.554 -0.417 0.000 2.912 132 T HA 0.451 4.802 4.350 0.002 0.000 0.299 132 T C -0.461 174.090 174.700 -0.249 0.000 1.052 132 T CA -0.828 61.124 62.100 -0.247 0.000 0.996 132 T CB 1.904 70.639 68.868 -0.220 0.000 1.070 132 T HN 0.189 8.429 8.240 -0.000 0.000 0.465 133 K N 0.682 121.052 120.400 -0.051 0.000 2.346 133 K HA 0.668 4.989 4.320 0.002 0.000 0.238 133 K C -0.208 176.432 176.600 0.067 0.000 1.039 133 K CA -1.150 55.160 56.287 0.039 0.000 0.861 133 K CB 1.378 33.946 32.500 0.113 0.000 1.278 133 K HN 0.542 8.792 8.250 -0.000 0.000 0.460 134 R N 0.265 120.827 120.500 0.103 0.000 3.532 134 R HA -0.138 4.203 4.340 0.002 0.000 0.284 134 R C -0.547 175.839 176.300 0.143 0.000 1.140 134 R CA 0.407 56.585 56.100 0.131 0.000 0.768 134 R CB -1.514 28.885 30.300 0.164 0.000 1.252 134 R HN 0.447 8.717 8.270 -0.000 0.000 0.454 135 M N 1.336 121.015 119.600 0.131 0.000 2.216 135 M HA 0.331 4.812 4.480 0.002 0.000 0.356 135 M C 0.444 176.875 176.300 0.218 0.000 1.205 135 M CA 0.031 55.427 55.300 0.160 0.000 1.122 135 M CB 0.888 33.543 32.600 0.091 0.000 1.571 135 M HN 0.117 8.407 8.290 -0.000 0.000 0.464 136 L N 3.674 125.053 121.223 0.261 0.000 2.317 136 L HA 0.632 4.973 4.340 0.002 0.000 0.281 136 L C -0.325 176.732 176.870 0.310 0.000 1.024 136 L CA -0.344 54.678 54.840 0.303 0.000 0.810 136 L CB 1.856 44.116 42.059 0.335 0.000 1.240 136 L HN 0.692 8.922 8.230 -0.000 0.000 0.427 137 M N 3.405 123.161 119.600 0.260 0.000 2.535 137 M HA 0.577 5.058 4.480 0.002 0.000 0.314 137 M C -1.786 174.620 176.300 0.177 0.000 1.153 137 M CA -0.505 54.828 55.300 0.055 0.000 0.924 137 M CB 2.104 34.685 32.600 -0.031 0.000 1.710 137 M HN 0.508 8.798 8.290 -0.000 0.000 0.451 138 Y N 0.130 120.545 120.300 0.192 0.000 2.624 138 Y HA 0.541 5.092 4.550 0.002 0.000 0.334 138 Y C -1.772 174.275 175.900 0.244 0.000 1.155 138 Y CA -1.490 56.727 58.100 0.195 0.000 1.046 138 Y CB 0.846 39.419 38.460 0.188 0.000 1.316 138 Y HN 0.666 8.946 8.280 -0.000 0.000 0.457 139 N N 1.847 120.755 118.700 0.346 0.000 2.372 139 N HA 0.760 5.502 4.740 0.002 0.000 0.291 139 N C -1.619 174.151 175.510 0.433 0.000 1.024 139 N CA -0.671 52.542 53.050 0.271 0.000 0.873 139 N CB 1.929 40.514 38.487 0.164 0.000 1.206 139 N HN 0.655 9.035 8.380 -0.000 0.000 0.486 140 F N -0.817 119.218 119.950 0.140 0.000 2.799 140 F HA 0.525 5.052 4.527 0.001 0.000 0.316 140 F C -3.295 172.556 175.800 0.085 0.000 1.155 140 F CA -2.391 55.685 58.000 0.126 0.000 0.916 140 F CB 0.790 39.843 39.000 0.088 0.000 1.294 140 F HN 0.195 8.495 8.300 -0.000 0.000 0.447 141 P HA 0.191 4.611 4.420 -0.000 0.000 0.273 141 P C -0.220 176.763 177.300 -0.528 0.000 1.319 141 P CA 0.070 62.949 63.100 -0.368 0.000 0.885 141 P CB 0.549 32.189 31.700 -0.099 0.000 1.015 142 T N 2.419 116.498 114.554 -0.790 0.000 2.899 142 T HA 0.460 4.811 4.350 0.002 0.000 0.295 142 T C 0.217 174.766 174.700 -0.252 0.000 1.033 142 T CA -0.611 61.098 62.100 -0.650 0.000 1.084 142 T CB 0.747 69.262 68.868 -0.589 0.000 0.979 142 T HN 0.099 8.339 8.240 -0.000 0.000 0.532 143 R N 0.576 121.019 120.500 -0.095 0.000 2.771 143 R HA 0.711 5.052 4.340 0.002 0.000 0.274 143 R C -0.307 176.055 176.300 0.103 0.000 0.987 143 R CA -0.876 55.241 56.100 0.027 0.000 0.908 143 R CB 1.730 32.114 30.300 0.140 0.000 1.213 143 R HN 0.964 9.234 8.270 -0.000 0.000 0.468 144 A N -0.019 122.874 122.820 0.120 0.000 2.445 144 A HA 0.472 4.794 4.320 0.002 0.000 0.242 144 A C 1.085 178.808 177.584 0.232 0.000 1.075 144 A CA 0.962 53.072 52.037 0.123 0.000 0.777 144 A CB -0.175 18.861 19.000 0.060 0.000 1.013 144 A HN 1.022 9.172 8.150 -0.000 0.000 0.493 145 G N 0.362 109.266 108.800 0.172 0.000 2.176 145 G HA2 -0.223 3.739 3.960 0.002 0.000 0.232 145 G HA3 -0.223 3.739 3.960 0.002 0.000 0.232 145 G C 0.492 175.556 174.900 0.274 0.000 0.986 145 G CA 0.620 45.826 45.100 0.176 0.000 0.643 145 G HN 0.771 9.061 8.290 -0.000 0.000 0.522 146 Q N -0.133 119.809 119.800 0.238 0.000 2.356 146 Q HA 0.568 4.910 4.340 0.002 0.000 0.205 146 Q C 1.478 177.664 176.000 0.310 0.000 0.901 146 Q CA 0.409 56.302 55.803 0.150 0.000 0.938 146 Q CB 0.758 29.479 28.738 -0.029 0.000 1.081 146 Q HN 0.798 9.068 8.270 -0.000 0.000 0.517 147 A N 0.317 123.368 122.820 0.386 0.000 2.462 147 A HA 0.439 4.760 4.320 0.002 0.000 0.243 147 A C 1.213 179.042 177.584 0.409 0.000 1.076 147 A CA 0.885 53.193 52.037 0.452 0.000 0.773 147 A CB -0.155 19.177 19.000 0.554 0.000 1.010 147 A HN 0.472 8.622 8.150 -0.000 0.000 0.493 148 G N 1.337 110.327 108.800 0.317 0.000 2.254 148 G HA2 -0.000 3.961 3.960 0.002 0.000 0.225 148 G HA3 -0.000 3.961 3.960 0.002 0.000 0.225 148 G C 1.015 176.005 174.900 0.149 0.000 1.003 148 G CA 0.324 45.561 45.100 0.229 0.000 0.622 148 G HN 2.038 10.328 8.290 -0.000 0.000 0.507 149 G N -0.314 108.573 108.800 0.145 0.000 2.559 149 G HA2 0.499 4.461 3.960 0.002 0.000 0.235 149 G HA3 0.499 4.461 3.960 0.002 0.000 0.235 149 G C 0.094 175.013 174.900 0.033 0.000 1.266 149 G CA 0.571 45.685 45.100 0.023 0.000 0.847 149 G HN 1.101 9.391 8.290 -0.000 0.000 0.583 150 V N 2.626 122.513 119.914 -0.044 0.000 2.370 150 V HA 0.264 4.385 4.120 0.002 0.000 0.283 150 V C 0.100 176.160 176.094 -0.058 0.000 1.023 150 V CA -0.711 61.572 62.300 -0.028 0.000 0.857 150 V CB 1.170 32.963 31.823 -0.050 0.000 0.985 150 V HN 0.627 8.817 8.190 -0.000 0.000 0.443 151 L N 7.029 128.230 121.223 -0.036 0.000 2.265 151 L HA 0.666 5.007 4.340 0.002 0.000 0.288 151 L C -0.274 176.576 176.870 -0.034 0.000 1.058 151 L CA 0.670 55.445 54.840 -0.109 0.000 0.809 151 L CB 0.716 42.691 42.059 -0.139 0.000 1.179 151 L HN 0.666 8.896 8.230 -0.000 0.000 0.429 152 M N 3.564 123.150 119.600 -0.024 0.000 2.593 152 M HA 0.583 5.064 4.480 0.002 0.000 0.290 152 M C -0.484 175.835 176.300 0.032 0.000 1.244 152 M CA -0.520 54.820 55.300 0.065 0.000 0.857 152 M CB 2.574 35.291 32.600 0.194 0.000 1.738 152 M HN 0.692 8.982 8.290 -0.000 0.000 0.461 153 S N -0.782 114.915 115.700 -0.005 0.000 2.811 153 S HA 0.590 5.062 4.470 0.002 0.000 0.311 153 S C -0.616 173.864 174.600 -0.200 0.000 1.152 153 S CA -0.839 57.328 58.200 -0.054 0.000 0.864 153 S CB 1.462 64.629 63.200 -0.056 0.000 1.226 153 S HN 0.607 8.917 8.310 -0.000 0.000 0.541 154 T N 1.677 116.117 114.554 -0.189 0.000 2.792 154 T HA 0.440 4.791 4.350 0.002 0.000 0.286 154 T C 1.415 175.770 174.700 -0.576 0.000 0.970 154 T CA 1.095 63.002 62.100 -0.321 0.000 1.187 154 T CB -0.473 68.313 68.868 -0.137 0.000 0.915 154 T HN 1.802 10.042 8.240 -0.000 0.000 0.529 155 G N 3.300 111.337 108.800 -1.272 0.000 2.166 155 G HA2 -0.272 3.689 3.960 0.002 0.000 0.260 155 G HA3 -0.272 3.689 3.960 0.002 0.000 0.260 155 G C -0.033 174.537 174.900 -0.550 0.000 0.986 155 G CA 0.294 44.822 45.100 -0.953 0.000 0.683 155 G HN 0.687 8.977 8.290 -0.000 0.000 0.527 156 K N -0.673 119.333 120.400 -0.657 0.000 2.468 156 K HA 0.583 4.904 4.320 0.002 0.000 0.252 156 K C -0.770 175.855 176.600 0.042 0.000 0.932 156 K CA -0.951 55.267 56.287 -0.115 0.000 0.794 156 K CB 3.137 35.594 32.500 -0.071 0.000 1.241 156 K HN 0.002 8.252 8.250 -0.000 0.000 0.428 157 V N 5.071 125.087 119.914 0.170 0.000 2.333 157 V HA 0.162 4.283 4.120 0.002 0.000 0.274 157 V C 0.878 177.037 176.094 0.108 0.000 1.028 157 V CA -0.317 62.075 62.300 0.154 0.000 0.851 157 V CB 0.766 32.676 31.823 0.145 0.000 1.000 157 V HN 0.721 8.911 8.190 -0.000 0.000 0.456 158 L N 4.095 125.366 121.223 0.081 0.000 2.202 158 L HA 0.532 4.874 4.340 0.002 0.000 0.205 158 L C 1.161 178.097 176.870 0.110 0.000 1.083 158 L CA 0.958 55.846 54.840 0.080 0.000 0.790 158 L CB -0.114 41.977 42.059 0.054 0.000 0.942 158 L HN 0.768 8.998 8.230 -0.000 0.000 0.452 159 G N -0.684 108.183 108.800 0.112 0.000 2.430 159 G HA2 0.462 4.423 3.960 0.002 0.000 0.300 159 G HA3 0.462 4.423 3.960 0.002 0.000 0.300 159 G C -1.912 173.075 174.900 0.144 0.000 1.330 159 G CA -0.541 44.651 45.100 0.153 0.000 0.813 159 G HN -0.212 8.078 8.290 -0.000 0.000 0.487 160 I N 0.948 121.623 120.570 0.176 0.000 2.436 160 I HA 0.290 4.462 4.170 0.002 0.000 0.289 160 I C -0.138 176.116 176.117 0.230 0.000 1.010 160 I CA -0.823 60.579 61.300 0.170 0.000 1.098 160 I CB 1.327 39.411 38.000 0.140 0.000 1.266 160 I HN 0.703 8.913 8.210 -0.000 0.000 0.434 161 H N 5.664 124.822 119.070 0.148 0.000 2.964 161 H HA 0.219 4.778 4.556 0.004 0.000 0.328 161 H C 0.724 176.149 175.328 0.162 0.000 1.030 161 H CA 0.433 56.592 56.048 0.184 0.000 1.445 161 H CB 0.998 30.858 29.762 0.164 0.000 1.449 161 H HN 0.380 8.660 8.280 -0.000 0.000 0.581 162 V N 1.740 121.533 119.914 -0.201 0.000 3.502 162 V HA 0.590 4.712 4.120 0.002 0.000 0.288 162 V C 0.747 176.774 176.094 -0.111 0.000 1.461 162 V CA 0.574 62.888 62.300 0.022 0.000 1.029 162 V CB 0.082 32.008 31.823 0.173 0.000 0.843 162 V HN 0.908 9.098 8.190 -0.000 0.000 0.438 163 G N -1.426 106.888 108.800 -0.810 0.000 2.368 163 G HA2 0.621 4.582 3.960 0.002 0.000 0.293 163 G HA3 0.621 4.582 3.960 0.002 0.000 0.293 163 G C -0.829 173.182 174.900 -1.483 0.000 1.467 163 G CA 0.027 44.635 45.100 -0.820 0.000 0.804 163 G HN 1.012 9.302 8.290 -0.000 0.000 0.535 164 G N -0.880 107.486 108.800 -0.723 0.000 2.718 164 G HA2 0.619 4.581 3.960 0.002 0.000 0.295 164 G HA3 0.619 4.581 3.960 0.002 0.000 0.295 164 G C -1.587 173.218 174.900 -0.159 0.000 1.421 164 G CA -0.504 44.293 45.100 -0.504 0.000 0.902 164 G HN 0.873 9.163 8.290 -0.000 0.000 0.501 165 N N 0.903 119.556 118.700 -0.078 0.000 2.558 165 N HA 0.464 5.206 4.740 0.002 0.000 0.285 165 N C 0.799 176.253 175.510 -0.094 0.000 1.112 165 N CA 0.264 53.298 53.050 -0.027 0.000 0.857 165 N CB 1.337 39.865 38.487 0.067 0.000 1.376 165 N HN 1.410 9.790 8.380 -0.000 0.000 0.526 166 G N 2.886 111.598 108.800 -0.147 0.000 2.596 166 G HA2 -0.344 3.617 3.960 0.002 0.000 0.304 166 G HA3 -0.344 3.617 3.960 0.002 0.000 0.304 166 G C 0.170 174.839 174.900 -0.384 0.000 1.189 166 G CA 0.121 45.100 45.100 -0.202 0.000 0.986 166 G HN 0.807 9.097 8.290 -0.000 0.000 0.548 167 H N 1.648 120.630 119.070 -0.146 0.000 2.505 167 H HA 0.326 4.883 4.556 0.001 0.000 0.289 167 H C 0.949 176.163 175.328 -0.190 0.000 1.052 167 H CA 0.752 56.692 56.048 -0.181 0.000 1.156 167 H CB 0.574 30.283 29.762 -0.089 0.000 1.507 167 H HN 0.466 8.746 8.280 -0.000 0.000 0.548 168 Q N 0.626 120.346 119.800 -0.133 0.000 2.327 168 Q HA 0.468 4.809 4.340 0.002 0.000 0.270 168 Q C -0.393 175.483 176.000 -0.206 0.000 1.022 168 Q CA -0.786 54.951 55.803 -0.111 0.000 0.773 168 Q CB 1.765 30.483 28.738 -0.034 0.000 1.251 168 Q HN 0.387 8.657 8.270 -0.000 0.000 0.457 169 G N 2.415 111.036 108.800 -0.300 0.000 2.441 169 G HA2 0.720 4.681 3.960 0.002 0.000 0.334 169 G HA3 0.720 4.681 3.960 0.002 0.000 0.334 169 G C -1.194 173.267 174.900 -0.731 0.000 1.161 169 G CA -0.561 44.276 45.100 -0.439 0.000 0.935 169 G HN 0.571 8.861 8.290 -0.000 0.000 0.488 170 F N -0.950 118.733 119.950 -0.445 0.000 2.591 170 F HA 0.797 5.326 4.527 0.004 0.000 0.309 170 F C -0.284 175.494 175.800 -0.037 0.000 1.098 170 F CA -1.319 56.495 58.000 -0.310 0.000 0.937 170 F CB 1.755 40.628 39.000 -0.212 0.000 1.250 170 F HN 0.377 8.677 8.300 -0.000 0.000 0.447 171 S N 0.852 116.777 115.700 0.374 0.000 2.536 171 S HA 0.832 5.304 4.470 0.002 0.000 0.298 171 S C -0.565 174.203 174.600 0.281 0.000 1.083 171 S CA -0.709 57.702 58.200 0.352 0.000 0.995 171 S CB 1.851 65.311 63.200 0.434 0.000 1.058 171 S HN 0.997 9.307 8.310 -0.000 0.000 0.488 172 A N 1.833 124.786 122.820 0.223 0.000 2.362 172 A HA 0.674 4.996 4.320 0.002 0.000 0.276 172 A C 0.461 178.175 177.584 0.216 0.000 1.153 172 A CA -0.454 51.699 52.037 0.194 0.000 0.813 172 A CB -0.161 18.928 19.000 0.149 0.000 1.081 172 A HN 1.039 9.189 8.150 -0.000 0.000 0.507 173 A N 2.015 124.965 122.820 0.217 0.000 2.511 173 A HA 0.428 4.749 4.320 0.002 0.000 0.242 173 A C -0.091 177.637 177.584 0.240 0.000 1.069 173 A CA -0.107 52.050 52.037 0.200 0.000 0.763 173 A CB -0.103 18.994 19.000 0.162 0.000 1.001 173 A HN 1.319 9.469 8.150 -0.000 0.000 0.498 174 L N 4.213 125.556 121.223 0.200 0.000 2.287 174 L HA 0.440 4.782 4.340 0.002 0.000 0.280 174 L C -0.594 176.346 176.870 0.117 0.000 1.055 174 L CA 0.109 55.105 54.840 0.261 0.000 0.863 174 L CB 0.156 42.366 42.059 0.251 0.000 1.245 174 L HN 0.611 8.841 8.230 -0.000 0.000 0.432 175 L N 4.274 125.391 121.223 -0.178 0.000 2.334 175 L HA 0.361 4.703 4.340 0.002 0.000 0.277 175 L C 1.511 178.178 176.870 -0.338 0.000 1.075 175 L CA -0.528 54.056 54.840 -0.427 0.000 0.804 175 L CB 1.295 42.864 42.059 -0.816 0.000 1.174 175 L HN 0.614 8.844 8.230 -0.000 0.000 0.438 176 K N 1.620 121.953 120.400 -0.112 0.000 2.113 176 K HA -0.213 4.109 4.320 0.002 0.000 0.208 176 K C 1.959 178.551 176.600 -0.014 0.000 1.047 176 K CA 1.729 58.024 56.287 0.014 0.000 0.928 176 K CB -0.053 32.453 32.500 0.009 0.000 0.716 176 K HN 0.788 9.038 8.250 -0.000 0.000 0.446 177 H N -1.569 117.399 119.070 -0.169 0.000 2.545 177 H HA -0.114 4.444 4.556 0.003 0.000 0.282 177 H C 0.982 176.256 175.328 -0.089 0.000 1.020 177 H CA 0.716 56.691 56.048 -0.122 0.000 1.243 177 H CB -0.293 29.400 29.762 -0.115 0.000 1.377 177 H HN 0.220 8.500 8.280 -0.000 0.000 0.581 178 Y N 0.493 120.424 120.300 -0.616 0.000 2.497 178 Y HA -0.019 4.532 4.550 0.002 0.000 0.292 178 Y C 0.907 176.263 175.900 -0.906 0.000 1.137 178 Y CA 0.238 57.852 58.100 -0.809 0.000 1.285 178 Y CB -0.439 37.412 38.460 -1.015 0.000 0.991 178 Y HN 0.151 8.431 8.280 -0.000 0.000 0.556 179 F N -1.060 118.856 119.950 -0.057 0.000 2.735 179 F HA 0.243 4.772 4.527 0.003 0.000 0.304 179 F C 0.611 176.281 175.800 -0.216 0.000 1.119 179 F CA -1.020 56.906 58.000 -0.123 0.000 1.280 179 F CB -0.376 38.565 39.000 -0.099 0.000 0.994 179 F HN -0.213 8.087 8.300 -0.000 0.000 0.520 180 N N 0.000 118.679 118.700 -0.035 0.000 1.763 180 N HA 0.000 4.741 4.740 0.002 0.000 0.220 180 N CA 0.000 53.023 53.050 -0.045 0.000 0.885 180 N CB 0.000 38.482 38.487 -0.008 0.000 1.341 180 N HN 0.000 8.380 8.380 -0.000 0.000 0.667