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 212l_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNIFEMLRID EGLRLKIYKD TEGYYTIGIG HLLTKSPSLN AAKSELDKAI DATA SEQUENCE GRNTNGVITK DEAEKLFNQD VDAAVRGILR NAKLKPVYDS LDAVRRAALI DATA SEQUENCE NMVFQMGETG VAGFTNSLRM LQQKRWDEAA VNLAKSRWYN QTPNRAKRVI DATA SEQUENCE TTFRTGTWDA YKNLAAAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 175.786 176.300 -0.857 0.000 1.140 1 M CA 0.000 54.783 55.300 -0.862 0.000 0.988 1 M CB 0.000 31.707 32.600 -1.489 0.000 1.302 2 N N 1.734 120.013 118.700 -0.702 0.000 3.039 2 N HA 0.494 5.233 4.740 -0.001 0.000 0.257 2 N C -0.113 175.231 175.510 -0.276 0.000 1.497 2 N CA -0.734 52.122 53.050 -0.323 0.000 0.861 2 N CB 0.305 38.765 38.487 -0.046 0.000 1.479 2 N HN 0.605 8.985 8.380 -0.000 0.000 0.547 3 I N -0.427 120.093 120.570 -0.084 0.000 2.264 3 I HA -0.017 4.153 4.170 -0.001 0.000 0.248 3 I C 1.075 177.039 176.117 -0.254 0.000 1.111 3 I CA 1.436 62.629 61.300 -0.178 0.000 1.382 3 I CB -0.533 37.319 38.000 -0.246 0.000 1.060 3 I HN 0.607 8.817 8.210 -0.000 0.000 0.418 4 F N 0.832 120.709 119.950 -0.122 0.000 2.146 4 F HA -0.127 4.400 4.527 -0.001 0.000 0.298 4 F C 2.525 178.376 175.800 0.086 0.000 1.096 4 F CA 1.679 59.667 58.000 -0.020 0.000 1.275 4 F CB -0.684 38.281 39.000 -0.059 0.000 1.008 4 F HN 0.089 8.389 8.300 -0.000 0.000 0.480 5 E N -0.095 120.173 120.200 0.113 0.000 2.077 5 E HA -0.264 4.085 4.350 -0.001 0.000 0.193 5 E C 2.223 178.763 176.600 -0.100 0.000 0.989 5 E CA 1.327 57.716 56.400 -0.019 0.000 0.800 5 E CB -0.256 29.349 29.700 -0.158 0.000 0.746 5 E HN 0.403 8.763 8.360 -0.000 0.000 0.452 6 M N 0.606 120.062 119.600 -0.240 0.000 2.067 6 M HA -0.190 4.289 4.480 -0.001 0.000 0.260 6 M C 2.105 178.322 176.300 -0.138 0.000 1.069 6 M CA 1.544 56.625 55.300 -0.366 0.000 1.117 6 M CB -0.011 32.304 32.600 -0.475 0.000 1.334 6 M HN 0.120 8.410 8.290 -0.000 0.000 0.407 7 L N -0.250 120.920 121.223 -0.089 0.000 2.201 7 L HA -0.172 4.167 4.340 -0.001 0.000 0.212 7 L C 2.581 179.413 176.870 -0.064 0.000 1.105 7 L CA 0.846 55.636 54.840 -0.083 0.000 0.775 7 L CB -0.557 41.385 42.059 -0.195 0.000 0.913 7 L HN 0.335 8.565 8.230 -0.000 0.000 0.440 8 R N 0.844 121.337 120.500 -0.011 0.000 2.120 8 R HA -0.141 4.198 4.340 -0.001 0.000 0.234 8 R C 1.965 178.234 176.300 -0.051 0.000 1.123 8 R CA 1.576 57.605 56.100 -0.117 0.000 0.975 8 R CB -0.469 29.805 30.300 -0.043 0.000 0.866 8 R HN 0.286 8.556 8.270 -0.000 0.000 0.446 9 I N 0.270 120.852 120.570 0.019 0.000 2.233 9 I HA -0.217 3.952 4.170 -0.001 0.000 0.243 9 I C 1.368 177.534 176.117 0.082 0.000 1.093 9 I CA 1.478 62.822 61.300 0.073 0.000 1.380 9 I CB -0.231 37.878 38.000 0.181 0.000 1.067 9 I HN 0.175 8.385 8.210 -0.000 0.000 0.413 10 D N 0.309 120.780 120.400 0.118 0.000 2.183 10 D HA -0.117 4.523 4.640 -0.001 0.000 0.203 10 D C 2.034 178.379 176.300 0.076 0.000 0.969 10 D CA 1.020 55.092 54.000 0.119 0.000 0.842 10 D CB -0.003 40.901 40.800 0.173 0.000 0.957 10 D HN 0.329 8.699 8.370 -0.000 0.000 0.484 11 E N -0.071 120.150 120.200 0.035 0.000 2.340 11 E HA 0.229 4.578 4.350 -0.001 0.000 0.198 11 E C 1.355 177.957 176.600 0.004 0.000 0.961 11 E CA 0.465 56.900 56.400 0.059 0.000 0.905 11 E CB 0.849 30.589 29.700 0.067 0.000 0.884 11 E HN 0.179 8.539 8.360 -0.000 0.000 0.491 12 G N 1.616 110.385 108.800 -0.051 0.000 2.741 12 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.222 12 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.222 12 G C -0.950 173.884 174.900 -0.109 0.000 1.364 12 G CA -0.133 44.916 45.100 -0.084 0.000 0.866 12 G HN 0.192 8.482 8.290 -0.000 0.000 0.555 13 L N -0.364 120.791 121.223 -0.114 0.000 2.476 13 L HA 0.876 5.215 4.340 -0.001 0.000 0.269 13 L C -0.210 176.602 176.870 -0.098 0.000 0.965 13 L CA -0.640 54.146 54.840 -0.090 0.000 0.845 13 L CB 1.787 43.798 42.059 -0.080 0.000 1.259 13 L HN 0.815 9.045 8.230 -0.000 0.000 0.403 14 R N 5.143 125.605 120.500 -0.063 0.000 2.575 14 R HA 0.508 4.847 4.340 -0.001 0.000 0.293 14 R C 0.058 176.406 176.300 0.081 0.000 0.983 14 R CA -0.697 55.364 56.100 -0.064 0.000 0.887 14 R CB 1.955 32.072 30.300 -0.304 0.000 1.184 14 R HN 0.741 9.011 8.270 -0.000 0.000 0.445 15 L N 1.439 122.696 121.223 0.056 0.000 2.567 15 L HA 0.171 4.510 4.340 -0.001 0.000 0.225 15 L C 0.475 177.399 176.870 0.091 0.000 1.119 15 L CA 0.427 55.309 54.840 0.070 0.000 0.871 15 L CB -0.089 41.992 42.059 0.036 0.000 1.036 15 L HN 0.346 8.576 8.230 -0.000 0.000 0.459 16 K N 0.689 121.162 120.400 0.121 0.000 2.259 16 K HA 0.431 4.750 4.320 -0.001 0.000 0.249 16 K C -0.323 176.408 176.600 0.218 0.000 0.942 16 K CA -0.581 55.783 56.287 0.127 0.000 0.816 16 K CB 1.420 33.977 32.500 0.095 0.000 1.155 16 K HN -0.128 8.122 8.250 -0.000 0.000 0.428 17 I N 5.128 125.790 120.570 0.154 0.000 2.826 17 I HA -0.042 4.127 4.170 -0.001 0.000 0.295 17 I C -0.262 176.018 176.117 0.270 0.000 1.213 17 I CA 0.640 62.032 61.300 0.153 0.000 1.436 17 I CB -0.218 37.806 38.000 0.040 0.000 1.348 17 I HN 0.634 8.844 8.210 -0.000 0.000 0.570 18 Y N 4.636 125.039 120.300 0.171 0.000 2.669 18 Y HA 0.655 5.204 4.550 -0.001 0.000 0.335 18 Y C -1.061 174.945 175.900 0.177 0.000 1.116 18 Y CA -1.643 56.551 58.100 0.157 0.000 1.081 18 Y CB 0.866 39.381 38.460 0.092 0.000 1.297 18 Y HN 0.236 8.516 8.280 -0.000 0.000 0.484 19 K N 2.118 122.639 120.400 0.201 0.000 2.185 19 K HA 0.212 4.531 4.320 -0.001 0.000 0.269 19 K C -0.870 175.790 176.600 0.101 0.000 0.987 19 K CA -0.801 55.483 56.287 -0.005 0.000 0.865 19 K CB 1.164 33.602 32.500 -0.103 0.000 1.090 19 K HN 0.853 9.103 8.250 -0.000 0.000 0.450 20 D N 0.671 121.065 120.400 -0.010 0.000 2.376 20 D HA -0.073 4.566 4.640 -0.001 0.000 0.268 20 D C 1.192 177.504 176.300 0.021 0.000 1.252 20 D CA -0.138 53.916 54.000 0.091 0.000 1.041 20 D CB -0.062 40.784 40.800 0.076 0.000 1.109 20 D HN 0.553 8.923 8.370 -0.000 0.000 0.552 21 T N -2.997 111.579 114.554 0.036 0.000 2.881 21 T HA -0.128 4.221 4.350 -0.001 0.000 0.270 21 T C 1.078 175.720 174.700 -0.096 0.000 1.068 21 T CA 0.895 62.989 62.100 -0.009 0.000 1.131 21 T CB -0.260 68.623 68.868 0.026 0.000 0.871 21 T HN 0.396 8.636 8.240 -0.000 0.000 0.479 22 E N 0.997 121.081 120.200 -0.194 0.000 2.479 22 E HA 0.239 4.588 4.350 -0.001 0.000 0.193 22 E C 1.581 177.799 176.600 -0.636 0.000 1.049 22 E CA 0.547 56.701 56.400 -0.410 0.000 0.870 22 E CB 0.049 29.413 29.700 -0.559 0.000 0.944 22 E HN 0.756 9.116 8.360 -0.000 0.000 0.492 23 G N 1.249 109.779 108.800 -0.450 0.000 2.132 23 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.234 23 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.234 23 G C -0.347 174.284 174.900 -0.448 0.000 0.989 23 G CA -0.100 44.763 45.100 -0.395 0.000 0.676 23 G HN 0.129 8.419 8.290 -0.000 0.000 0.522 24 Y N -0.437 119.754 120.300 -0.181 0.000 2.352 24 Y HA 0.637 5.186 4.550 -0.001 0.000 0.326 24 Y C 0.748 176.505 175.900 -0.238 0.000 1.166 24 Y CA -2.063 55.906 58.100 -0.218 0.000 1.182 24 Y CB 0.491 38.885 38.460 -0.110 0.000 1.216 24 Y HN 0.161 8.441 8.280 -0.000 0.000 0.474 25 Y N 1.396 121.752 120.300 0.093 0.000 2.632 25 Y HA 0.255 4.804 4.550 -0.001 0.000 0.329 25 Y C 0.662 176.481 175.900 -0.135 0.000 1.174 25 Y CA 0.200 58.273 58.100 -0.045 0.000 1.469 25 Y CB 0.094 38.545 38.460 -0.014 0.000 1.242 25 Y HN 0.521 8.800 8.280 -0.000 0.000 0.540 26 T N 4.400 118.858 114.554 -0.160 0.000 2.841 26 T HA 0.726 5.075 4.350 -0.001 0.000 0.296 26 T C -1.226 173.223 174.700 -0.418 0.000 1.166 26 T CA -0.722 61.164 62.100 -0.357 0.000 1.007 26 T CB 2.142 70.628 68.868 -0.636 0.000 1.253 26 T HN 0.510 8.750 8.240 -0.000 0.000 0.511 27 I N -0.645 119.865 120.570 -0.099 0.000 3.181 27 I HA 0.584 4.754 4.170 -0.001 0.000 0.311 27 I C 0.544 176.858 176.117 0.328 0.000 1.287 27 I CA 0.347 61.750 61.300 0.172 0.000 0.958 27 I CB 1.619 39.708 38.000 0.147 0.000 1.294 27 I HN 0.929 9.139 8.210 -0.000 0.000 0.467 28 G N 4.018 113.012 108.800 0.323 0.000 2.556 28 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.283 28 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.283 28 G C -0.077 174.940 174.900 0.195 0.000 1.177 28 G CA 0.326 45.550 45.100 0.206 0.000 0.978 28 G HN 0.763 9.053 8.290 -0.000 0.000 0.554 29 I N 2.713 123.350 120.570 0.111 0.000 2.234 29 I HA 0.464 4.634 4.170 -0.001 0.000 0.287 29 I C 1.443 177.695 176.117 0.226 0.000 1.131 29 I CA 0.802 62.082 61.300 -0.034 0.000 1.335 29 I CB 0.044 37.678 38.000 -0.610 0.000 1.511 29 I HN 1.787 9.997 8.210 -0.000 0.000 0.588 30 G N 2.547 111.554 108.800 0.344 0.000 2.198 30 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.260 30 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.260 30 G C 0.142 175.217 174.900 0.291 0.000 1.025 30 G CA -0.029 45.308 45.100 0.395 0.000 0.769 30 G HN 0.742 9.032 8.290 -0.000 0.000 0.507 31 H N -0.329 118.848 119.070 0.177 0.000 2.911 31 H HA 0.516 5.072 4.556 -0.001 0.000 0.273 31 H C 0.720 176.049 175.328 0.001 0.000 1.157 31 H CA -0.783 55.312 56.048 0.079 0.000 1.402 31 H CB 0.360 30.186 29.762 0.106 0.000 1.463 31 H HN 0.391 8.671 8.280 -0.000 0.000 0.475 32 L N 5.699 126.656 121.223 -0.444 0.000 2.513 32 L HA 0.044 4.383 4.340 -0.001 0.000 0.272 32 L C -0.119 176.565 176.870 -0.310 0.000 1.187 32 L CA 0.490 55.152 54.840 -0.296 0.000 0.895 32 L CB 0.245 42.162 42.059 -0.237 0.000 1.147 32 L HN 0.855 9.085 8.230 -0.000 0.000 0.483 33 L N 3.178 124.341 121.223 -0.100 0.000 2.200 33 L HA 0.245 4.584 4.340 -0.001 0.000 0.200 33 L C 0.828 177.679 176.870 -0.032 0.000 1.072 33 L CA 0.748 55.581 54.840 -0.013 0.000 0.787 33 L CB -0.018 42.076 42.059 0.059 0.000 0.957 33 L HN 0.798 9.028 8.230 -0.000 0.000 0.459 34 T N -1.892 112.648 114.554 -0.023 0.000 2.827 34 T HA 0.203 4.552 4.350 -0.001 0.000 0.328 34 T C -0.483 174.154 174.700 -0.106 0.000 1.598 34 T CA -0.633 61.438 62.100 -0.049 0.000 1.043 34 T CB 1.545 70.424 68.868 0.019 0.000 1.447 34 T HN -0.015 8.225 8.240 -0.000 0.000 0.491 35 K N 1.022 121.281 120.400 -0.236 0.000 2.404 35 K HA 0.228 4.547 4.320 -0.001 0.000 0.194 35 K C 0.866 177.415 176.600 -0.085 0.000 1.023 35 K CA -0.096 55.923 56.287 -0.447 0.000 1.094 35 K CB 0.418 32.485 32.500 -0.721 0.000 0.841 35 K HN 0.446 8.696 8.250 -0.000 0.000 0.523 36 S N 1.846 117.552 115.700 0.010 0.000 2.562 36 S HA 0.100 4.570 4.470 -0.001 0.000 0.281 36 S C -1.807 172.905 174.600 0.187 0.000 1.333 36 S CA -1.346 56.903 58.200 0.081 0.000 1.052 36 S CB 0.674 63.912 63.200 0.064 0.000 0.884 36 S HN -0.046 8.264 8.310 -0.000 0.000 0.506 37 P HA 0.101 4.521 4.420 -0.000 0.000 0.245 37 P C -0.006 177.471 177.300 0.294 0.000 1.212 37 P CA 0.195 63.406 63.100 0.186 0.000 0.774 37 P CB -0.013 31.749 31.700 0.104 0.000 0.999 38 S N 0.314 116.150 115.700 0.227 0.000 2.452 38 S HA 0.204 4.673 4.470 -0.001 0.000 0.284 38 S C 1.013 175.633 174.600 0.033 0.000 1.171 38 S CA -0.692 57.592 58.200 0.140 0.000 1.064 38 S CB 0.211 63.447 63.200 0.060 0.000 0.967 38 S HN -0.130 8.180 8.310 -0.000 0.000 0.484 39 L N 6.010 127.172 121.223 -0.102 0.000 2.141 39 L HA 0.022 4.361 4.340 -0.001 0.000 0.209 39 L C 1.815 178.519 176.870 -0.275 0.000 1.094 39 L CA 1.790 56.349 54.840 -0.469 0.000 0.763 39 L CB -0.722 41.156 42.059 -0.303 0.000 0.908 39 L HN 0.653 8.883 8.230 -0.000 0.000 0.437 40 N N 0.287 118.911 118.700 -0.127 0.000 2.084 40 N HA -0.136 4.604 4.740 -0.001 0.000 0.190 40 N C 1.898 177.362 175.510 -0.077 0.000 1.030 40 N CA 1.628 54.628 53.050 -0.084 0.000 0.849 40 N CB -0.607 37.856 38.487 -0.040 0.000 1.012 40 N HN 0.494 8.874 8.380 -0.000 0.000 0.423 41 A N 1.020 123.807 122.820 -0.055 0.000 1.917 41 A HA -0.091 4.228 4.320 -0.001 0.000 0.219 41 A C 2.363 179.916 177.584 -0.052 0.000 1.182 41 A CA 2.263 54.281 52.037 -0.032 0.000 0.633 41 A CB -0.998 18.003 19.000 0.003 0.000 0.819 41 A HN 0.341 8.491 8.150 -0.000 0.000 0.448 42 A N -0.478 122.274 122.820 -0.113 0.000 1.902 42 A HA -0.177 4.142 4.320 -0.001 0.000 0.217 42 A C 2.121 179.640 177.584 -0.108 0.000 1.181 42 A CA 1.920 53.877 52.037 -0.133 0.000 0.623 42 A CB -0.434 18.341 19.000 -0.375 0.000 0.818 42 A HN 0.551 8.701 8.150 -0.000 0.000 0.443 43 K N -0.516 119.806 120.400 -0.131 0.000 2.148 43 K HA -0.075 4.244 4.320 -0.001 0.000 0.204 43 K C 2.413 178.985 176.600 -0.046 0.000 1.050 43 K CA 1.176 57.413 56.287 -0.083 0.000 0.942 43 K CB -0.141 32.309 32.500 -0.083 0.000 0.724 43 K HN 0.462 8.712 8.250 -0.000 0.000 0.446 44 S N 0.924 116.598 115.700 -0.042 0.000 2.355 44 S HA -0.136 4.333 4.470 -0.001 0.000 0.222 44 S C 1.777 176.369 174.600 -0.012 0.000 1.031 44 S CA 1.109 59.295 58.200 -0.023 0.000 0.993 44 S CB -0.051 63.137 63.200 -0.020 0.000 0.859 44 S HN 0.190 8.500 8.310 -0.000 0.000 0.453 45 E N 0.923 121.117 120.200 -0.009 0.000 2.110 45 E HA -0.119 4.231 4.350 -0.001 0.000 0.193 45 E C 2.079 178.692 176.600 0.023 0.000 0.988 45 E CA 0.874 57.281 56.400 0.011 0.000 0.804 45 E CB -0.598 29.113 29.700 0.019 0.000 0.745 45 E HN 0.490 8.850 8.360 -0.000 0.000 0.458 46 L N 1.842 123.073 121.223 0.013 0.000 2.017 46 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 46 L C 1.514 178.385 176.870 0.001 0.000 1.073 46 L CA 1.939 56.788 54.840 0.016 0.000 0.745 46 L CB -0.492 41.571 42.059 0.007 0.000 0.894 46 L HN -0.108 8.122 8.230 -0.000 0.000 0.432 47 D N -0.233 120.164 120.400 -0.005 0.000 2.117 47 D HA -0.236 4.403 4.640 -0.001 0.000 0.197 47 D C 2.130 178.427 176.300 -0.004 0.000 0.987 47 D CA 1.573 55.569 54.000 -0.006 0.000 0.829 47 D CB -0.126 40.668 40.800 -0.009 0.000 0.961 47 D HN 0.442 8.812 8.370 -0.000 0.000 0.460 48 K N 0.638 121.037 120.400 -0.000 0.000 2.057 48 K HA -0.080 4.239 4.320 -0.001 0.000 0.207 48 K C 1.927 178.529 176.600 0.003 0.000 1.049 48 K CA 1.390 57.679 56.287 0.002 0.000 0.931 48 K CB -0.043 32.460 32.500 0.006 0.000 0.714 48 K HN 0.039 8.289 8.250 -0.000 0.000 0.440 49 A N 0.863 123.685 122.820 0.004 0.000 1.968 49 A HA -0.038 4.281 4.320 -0.001 0.000 0.217 49 A C 1.947 179.513 177.584 -0.029 0.000 1.169 49 A CA 0.979 53.009 52.037 -0.010 0.000 0.638 49 A CB -0.239 18.747 19.000 -0.025 0.000 0.812 49 A HN 0.310 8.460 8.150 -0.000 0.000 0.446 50 I N -1.447 119.108 120.570 -0.024 0.000 2.852 50 I HA 0.098 4.268 4.170 -0.001 0.000 0.264 50 I C 1.849 177.959 176.117 -0.012 0.000 1.179 50 I CA 1.398 62.685 61.300 -0.022 0.000 1.480 50 I CB -1.321 36.668 38.000 -0.017 0.000 1.111 50 I HN 0.511 8.721 8.210 -0.000 0.000 0.441 51 G N 2.630 111.425 108.800 -0.008 0.000 2.136 51 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.242 51 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.242 51 G C 0.400 175.297 174.900 -0.004 0.000 0.989 51 G CA 0.465 45.562 45.100 -0.005 0.000 0.682 51 G HN 0.588 8.878 8.290 -0.000 0.000 0.522 52 R N -1.870 118.627 120.500 -0.005 0.000 2.734 52 R HA 0.548 4.887 4.340 -0.001 0.000 0.271 52 R C -1.194 175.104 176.300 -0.005 0.000 1.021 52 R CA -0.996 55.102 56.100 -0.004 0.000 0.893 52 R CB 0.294 30.592 30.300 -0.003 0.000 1.244 52 R HN -0.008 8.262 8.270 -0.000 0.000 0.464 53 N N 0.822 119.519 118.700 -0.004 0.000 2.415 53 N HA 0.050 4.790 4.740 -0.001 0.000 0.250 53 N C 0.562 176.070 175.510 -0.005 0.000 1.127 53 N CA 0.279 53.326 53.050 -0.005 0.000 0.945 53 N CB 1.369 39.853 38.487 -0.005 0.000 1.196 53 N HN 0.684 9.064 8.380 -0.000 0.000 0.499 54 T N -0.293 114.258 114.554 -0.005 0.000 3.035 54 T HA 0.031 4.380 4.350 -0.001 0.000 0.259 54 T C 0.880 175.578 174.700 -0.003 0.000 1.078 54 T CA 0.029 62.128 62.100 -0.002 0.000 1.132 54 T CB -0.069 68.798 68.868 -0.001 0.000 0.900 54 T HN 0.467 8.707 8.240 -0.000 0.000 0.480 55 N N 0.965 119.660 118.700 -0.008 0.000 2.747 55 N HA -0.161 4.578 4.740 -0.001 0.000 0.249 55 N C 0.959 176.464 175.510 -0.008 0.000 1.107 55 N CA 1.429 54.473 53.050 -0.009 0.000 0.707 55 N CB -1.624 36.861 38.487 -0.004 0.000 1.054 55 N HN 1.114 9.494 8.380 -0.000 0.000 0.555 56 G N -2.877 105.917 108.800 -0.010 0.000 2.168 56 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.263 56 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.263 56 G C -0.045 174.867 174.900 0.020 0.000 0.977 56 G CA 0.568 45.666 45.100 -0.003 0.000 0.659 56 G HN 0.829 9.119 8.290 -0.000 0.000 0.533 57 V N 1.721 121.646 119.914 0.019 0.000 2.656 57 V HA 0.801 4.920 4.120 -0.001 0.000 0.307 57 V C 0.489 176.598 176.094 0.024 0.000 1.051 57 V CA -0.412 61.904 62.300 0.028 0.000 0.893 57 V CB 1.887 33.723 31.823 0.022 0.000 0.999 57 V HN 0.713 8.903 8.190 -0.000 0.000 0.426 58 I N 0.854 121.442 120.570 0.031 0.000 3.145 58 I HA 0.884 5.053 4.170 -0.001 0.000 0.313 58 I C 0.189 176.320 176.117 0.024 0.000 1.122 58 I CA -0.608 60.706 61.300 0.024 0.000 0.987 58 I CB 2.554 40.570 38.000 0.026 0.000 1.236 58 I HN 0.656 8.866 8.210 -0.000 0.000 0.453 59 T N -0.884 113.681 114.554 0.018 0.000 2.881 59 T HA 0.310 4.659 4.350 -0.001 0.000 0.278 59 T C 0.791 175.503 174.700 0.020 0.000 0.982 59 T CA -0.432 61.678 62.100 0.016 0.000 0.989 59 T CB 1.768 70.643 68.868 0.011 0.000 1.058 59 T HN 0.912 9.152 8.240 -0.000 0.000 0.529 60 K N 0.133 120.543 120.400 0.016 0.000 2.063 60 K HA -0.170 4.149 4.320 -0.001 0.000 0.208 60 K C 1.500 178.116 176.600 0.026 0.000 1.048 60 K CA 1.953 58.251 56.287 0.019 0.000 0.928 60 K CB -0.352 32.154 32.500 0.010 0.000 0.713 60 K HN 0.620 8.870 8.250 -0.000 0.000 0.442 61 D N 0.742 121.154 120.400 0.020 0.000 2.117 61 D HA -0.161 4.478 4.640 -0.001 0.000 0.197 61 D C 1.721 178.040 176.300 0.031 0.000 0.987 61 D CA 1.227 55.241 54.000 0.023 0.000 0.829 61 D CB -0.135 40.673 40.800 0.013 0.000 0.961 61 D HN 0.414 8.784 8.370 -0.000 0.000 0.460 62 E N 0.679 120.893 120.200 0.024 0.000 2.077 62 E HA -0.124 4.225 4.350 -0.001 0.000 0.193 62 E C 2.143 178.763 176.600 0.033 0.000 0.989 62 E CA 1.003 57.415 56.400 0.020 0.000 0.800 62 E CB -0.055 29.652 29.700 0.011 0.000 0.746 62 E HN 0.202 8.562 8.360 -0.000 0.000 0.452 63 A N 1.332 124.180 122.820 0.046 0.000 1.902 63 A HA -0.253 4.066 4.320 -0.001 0.000 0.217 63 A C 1.917 179.578 177.584 0.128 0.000 1.181 63 A CA 1.583 53.662 52.037 0.071 0.000 0.623 63 A CB -0.421 18.614 19.000 0.058 0.000 0.818 63 A HN 0.167 8.317 8.150 -0.000 0.000 0.443 64 E N -0.788 119.487 120.200 0.125 0.000 2.150 64 E HA -0.170 4.179 4.350 -0.001 0.000 0.193 64 E C 2.046 178.767 176.600 0.201 0.000 0.985 64 E CA 1.258 57.779 56.400 0.202 0.000 0.814 64 E CB -0.053 29.725 29.700 0.130 0.000 0.752 64 E HN 0.670 9.030 8.360 -0.000 0.000 0.466 65 K N 0.820 121.290 120.400 0.117 0.000 2.062 65 K HA -0.080 4.240 4.320 -0.001 0.000 0.205 65 K C 2.021 178.684 176.600 0.105 0.000 1.051 65 K CA 0.646 56.984 56.287 0.086 0.000 0.941 65 K CB 0.060 32.584 32.500 0.040 0.000 0.719 65 K HN 0.049 8.299 8.250 -0.000 0.000 0.440 66 L N 0.299 121.572 121.223 0.084 0.000 2.083 66 L HA -0.173 4.166 4.340 -0.001 0.000 0.209 66 L C 2.382 179.411 176.870 0.264 0.000 1.083 66 L CA 0.974 55.844 54.840 0.050 0.000 0.752 66 L CB -0.516 41.464 42.059 -0.132 0.000 0.899 66 L HN 0.223 8.453 8.230 -0.000 0.000 0.433 67 F N 1.276 121.324 119.950 0.163 0.000 2.102 67 F HA -0.223 4.303 4.527 -0.001 0.000 0.298 67 F C 2.476 178.468 175.800 0.320 0.000 1.105 67 F CA 1.486 59.652 58.000 0.277 0.000 1.239 67 F CB -0.600 38.551 39.000 0.252 0.000 0.991 67 F HN 0.106 8.406 8.300 -0.000 0.000 0.474 68 N N 0.406 119.256 118.700 0.249 0.000 2.104 68 N HA -0.217 4.522 4.740 -0.001 0.000 0.190 68 N C 1.841 177.431 175.510 0.134 0.000 1.024 68 N CA 1.764 54.919 53.050 0.175 0.000 0.853 68 N CB -0.374 38.174 38.487 0.102 0.000 1.008 68 N HN 0.537 8.917 8.380 -0.000 0.000 0.424 69 Q N 0.432 120.310 119.800 0.130 0.000 2.096 69 Q HA -0.135 4.204 4.340 -0.001 0.000 0.204 69 Q C 1.251 177.318 176.000 0.112 0.000 0.982 69 Q CA 1.177 57.040 55.803 0.100 0.000 0.850 69 Q CB -0.035 28.753 28.738 0.084 0.000 0.901 69 Q HN 0.325 8.595 8.270 -0.000 0.000 0.422 70 D N -0.036 120.476 120.400 0.187 0.000 2.117 70 D HA -0.118 4.521 4.640 -0.001 0.000 0.197 70 D C 1.988 178.403 176.300 0.192 0.000 0.987 70 D CA 0.923 55.044 54.000 0.202 0.000 0.829 70 D CB -0.131 40.873 40.800 0.340 0.000 0.961 70 D HN 0.057 8.427 8.370 -0.000 0.000 0.460 71 V N 1.000 120.980 119.914 0.111 0.000 2.358 71 V HA -0.213 3.906 4.120 -0.001 0.000 0.246 71 V C 2.087 178.151 176.094 -0.049 0.000 1.047 71 V CA 1.620 63.869 62.300 -0.086 0.000 1.035 71 V CB -0.420 31.031 31.823 -0.620 0.000 0.658 71 V HN 0.046 8.236 8.190 -0.000 0.000 0.452 72 D N 0.352 120.752 120.400 0.001 0.000 2.104 72 D HA -0.168 4.471 4.640 -0.001 0.000 0.194 72 D C 2.176 178.474 176.300 -0.003 0.000 0.994 72 D CA 1.730 55.736 54.000 0.011 0.000 0.830 72 D CB -0.230 40.592 40.800 0.037 0.000 0.959 72 D HN 0.370 8.740 8.370 -0.000 0.000 0.452 73 A N 0.374 123.200 122.820 0.010 0.000 1.933 73 A HA -0.032 4.287 4.320 -0.001 0.000 0.218 73 A C 2.314 179.884 177.584 -0.024 0.000 1.175 73 A CA 2.343 54.376 52.037 -0.007 0.000 0.628 73 A CB -0.928 18.071 19.000 -0.002 0.000 0.814 73 A HN 0.291 8.441 8.150 -0.000 0.000 0.444 74 A N -0.545 122.272 122.820 -0.005 0.000 1.902 74 A HA -0.009 4.310 4.320 -0.001 0.000 0.217 74 A C 2.227 179.775 177.584 -0.061 0.000 1.181 74 A CA 1.796 53.828 52.037 -0.008 0.000 0.623 74 A CB -0.963 18.085 19.000 0.080 0.000 0.818 74 A HN 0.404 8.554 8.150 -0.000 0.000 0.443 75 V N 0.021 119.888 119.914 -0.078 0.000 2.343 75 V HA -0.280 3.839 4.120 -0.001 0.000 0.247 75 V C 2.635 178.625 176.094 -0.172 0.000 1.051 75 V CA 2.299 64.506 62.300 -0.156 0.000 1.036 75 V CB -0.825 30.927 31.823 -0.117 0.000 0.654 75 V HN 0.522 8.712 8.190 -0.000 0.000 0.451 76 R N 0.008 120.447 120.500 -0.102 0.000 2.115 76 R HA -0.074 4.266 4.340 -0.001 0.000 0.230 76 R C 2.471 178.719 176.300 -0.087 0.000 1.111 76 R CA 1.267 57.314 56.100 -0.087 0.000 0.976 76 R CB -0.739 29.530 30.300 -0.052 0.000 0.870 76 R HN 0.603 8.873 8.270 -0.000 0.000 0.445 77 G N 1.280 110.032 108.800 -0.079 0.000 2.418 77 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.217 77 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.217 77 G C 1.434 176.282 174.900 -0.086 0.000 1.158 77 G CA 0.567 45.626 45.100 -0.069 0.000 0.771 77 G HN 0.149 8.439 8.290 -0.000 0.000 0.545 78 I N 0.501 120.994 120.570 -0.129 0.000 2.127 78 I HA -0.172 3.997 4.170 -0.001 0.000 0.241 78 I C 2.653 178.675 176.117 -0.158 0.000 1.075 78 I CA 0.956 62.160 61.300 -0.160 0.000 1.334 78 I CB -0.188 37.634 38.000 -0.297 0.000 1.040 78 I HN 0.122 8.332 8.210 -0.000 0.000 0.405 79 L N -0.260 120.844 121.223 -0.199 0.000 2.275 79 L HA -0.141 4.199 4.340 -0.001 0.000 0.215 79 L C 2.469 179.296 176.870 -0.070 0.000 1.119 79 L CA 1.018 55.775 54.840 -0.138 0.000 0.790 79 L CB -0.564 41.410 42.059 -0.141 0.000 0.919 79 L HN 0.161 8.391 8.230 -0.000 0.000 0.443 80 R N -0.278 120.183 120.500 -0.064 0.000 2.276 80 R HA 0.043 4.383 4.340 -0.001 0.000 0.196 80 R C 0.668 176.950 176.300 -0.030 0.000 0.961 80 R CA -0.060 56.017 56.100 -0.040 0.000 1.024 80 R CB 0.047 30.323 30.300 -0.038 0.000 0.940 80 R HN 0.267 8.537 8.270 -0.000 0.000 0.480 81 N N 0.409 119.089 118.700 -0.033 0.000 2.434 81 N HA 0.073 4.812 4.740 -0.001 0.000 0.272 81 N C 0.358 175.863 175.510 -0.008 0.000 1.040 81 N CA 0.096 53.134 53.050 -0.020 0.000 0.956 81 N CB 1.784 40.257 38.487 -0.022 0.000 1.108 81 N HN 0.011 8.391 8.380 -0.000 0.000 0.481 82 A N 4.289 127.108 122.820 -0.002 0.000 2.019 82 A HA -0.130 4.189 4.320 -0.001 0.000 0.219 82 A C 1.819 179.410 177.584 0.011 0.000 1.164 82 A CA 1.424 53.463 52.037 0.004 0.000 0.644 82 A CB 0.017 19.019 19.000 0.003 0.000 0.805 82 A HN 0.719 8.869 8.150 -0.000 0.000 0.449 83 K N -0.551 119.856 120.400 0.011 0.000 2.211 83 K HA 0.259 4.578 4.320 -0.001 0.000 0.201 83 K C 1.633 178.248 176.600 0.025 0.000 1.052 83 K CA 0.602 56.899 56.287 0.017 0.000 0.973 83 K CB -0.156 32.354 32.500 0.018 0.000 0.766 83 K HN 0.445 8.695 8.250 -0.000 0.000 0.466 84 L N 0.563 121.799 121.223 0.022 0.000 2.127 84 L HA 0.011 4.350 4.340 -0.001 0.000 0.203 84 L C 2.400 179.311 176.870 0.069 0.000 1.080 84 L CA 0.886 55.748 54.840 0.037 0.000 0.768 84 L CB -0.313 41.753 42.059 0.012 0.000 0.924 84 L HN 0.082 8.312 8.230 -0.000 0.000 0.444 85 K N 0.529 120.956 120.400 0.044 0.000 2.044 85 K HA -0.185 4.134 4.320 -0.001 0.000 0.210 85 K C -0.578 176.094 176.600 0.120 0.000 1.049 85 K CA 1.788 58.118 56.287 0.071 0.000 0.927 85 K CB -0.754 31.763 32.500 0.029 0.000 0.713 85 K HN 0.186 8.436 8.250 -0.000 0.000 0.443 86 P HA -0.104 4.316 4.420 -0.000 0.000 0.218 86 P C 1.435 178.785 177.300 0.085 0.000 1.149 86 P CA 0.939 64.082 63.100 0.071 0.000 0.817 86 P CB 0.011 31.736 31.700 0.042 0.000 0.785 87 V N -0.868 119.102 119.914 0.093 0.000 2.270 87 V HA -0.263 3.856 4.120 -0.001 0.000 0.245 87 V C 2.496 178.672 176.094 0.137 0.000 1.043 87 V CA 1.750 64.108 62.300 0.097 0.000 1.014 87 V CB -1.585 30.288 31.823 0.083 0.000 0.645 87 V HN -0.018 8.172 8.190 -0.000 0.000 0.447 88 Y N 1.574 121.904 120.300 0.050 0.000 2.114 88 Y HA -0.296 4.252 4.550 -0.003 0.000 0.282 88 Y C 2.382 178.313 175.900 0.051 0.000 1.165 88 Y CA 2.220 60.353 58.100 0.055 0.000 1.148 88 Y CB -0.341 38.141 38.460 0.037 0.000 0.972 88 Y HN 0.313 8.593 8.280 -0.000 0.000 0.504 89 D N -0.872 119.638 120.400 0.184 0.000 2.218 89 D HA -0.156 4.483 4.640 -0.001 0.000 0.204 89 D C 2.382 178.696 176.300 0.025 0.000 0.976 89 D CA 1.531 55.588 54.000 0.095 0.000 0.853 89 D CB -0.431 40.436 40.800 0.111 0.000 0.939 89 D HN 0.496 8.866 8.370 -0.000 0.000 0.481 90 S N -0.631 115.091 115.700 0.037 0.000 2.489 90 S HA 0.010 4.479 4.470 -0.001 0.000 0.228 90 S C 1.013 175.639 174.600 0.043 0.000 0.995 90 S CA -0.071 58.151 58.200 0.038 0.000 0.934 90 S CB -0.128 63.099 63.200 0.046 0.000 0.771 90 S HN 0.088 8.398 8.310 -0.000 0.000 0.522 91 L N 2.405 123.629 121.223 0.002 0.000 2.421 91 L HA 0.419 4.758 4.340 -0.001 0.000 0.263 91 L C 0.256 177.086 176.870 -0.066 0.000 1.122 91 L CA -0.921 53.926 54.840 0.012 0.000 0.804 91 L CB 0.638 42.688 42.059 -0.016 0.000 1.150 91 L HN 0.342 8.572 8.230 -0.000 0.000 0.457 92 D N 0.346 120.714 120.400 -0.053 0.000 2.377 92 D HA 0.259 4.899 4.640 -0.001 0.000 0.245 92 D C 0.893 177.098 176.300 -0.158 0.000 1.196 92 D CA -0.054 53.889 54.000 -0.095 0.000 0.962 92 D CB 0.943 41.685 40.800 -0.095 0.000 1.127 92 D HN 0.542 8.912 8.370 -0.000 0.000 0.471 93 A N 0.424 123.166 122.820 -0.131 0.000 1.908 93 A HA -0.157 4.162 4.320 -0.001 0.000 0.218 93 A C 2.167 179.651 177.584 -0.167 0.000 1.181 93 A CA 1.688 53.656 52.037 -0.116 0.000 0.627 93 A CB -1.111 17.869 19.000 -0.034 0.000 0.818 93 A HN 0.449 8.599 8.150 -0.000 0.000 0.445 94 V N -0.175 119.570 119.914 -0.282 0.000 2.358 94 V HA -0.235 3.884 4.120 -0.001 0.000 0.246 94 V C 2.588 178.357 176.094 -0.540 0.000 1.047 94 V CA 2.161 64.117 62.300 -0.573 0.000 1.035 94 V CB -0.813 30.530 31.823 -0.799 0.000 0.658 94 V HN 0.517 8.707 8.190 -0.000 0.000 0.452 95 R N -0.352 119.908 120.500 -0.400 0.000 2.148 95 R HA -0.052 4.287 4.340 -0.001 0.000 0.227 95 R C 2.520 178.698 176.300 -0.204 0.000 1.103 95 R CA 0.924 56.832 56.100 -0.320 0.000 0.983 95 R CB -0.288 29.907 30.300 -0.174 0.000 0.874 95 R HN 0.469 8.739 8.270 -0.000 0.000 0.451 96 R N 0.407 120.782 120.500 -0.207 0.000 2.091 96 R HA -0.113 4.226 4.340 -0.001 0.000 0.238 96 R C 2.299 178.573 176.300 -0.044 0.000 1.136 96 R CA 1.514 57.494 56.100 -0.201 0.000 0.959 96 R CB -0.332 29.709 30.300 -0.433 0.000 0.856 96 R HN 0.196 8.466 8.270 -0.000 0.000 0.437 97 A N 1.015 123.775 122.820 -0.099 0.000 1.933 97 A HA -0.110 4.209 4.320 -0.001 0.000 0.218 97 A C 2.340 179.850 177.584 -0.123 0.000 1.175 97 A CA 1.630 53.645 52.037 -0.038 0.000 0.628 97 A CB -0.580 18.485 19.000 0.109 0.000 0.814 97 A HN 0.409 8.559 8.150 -0.000 0.000 0.444 98 A N -0.603 122.019 122.820 -0.330 0.000 1.933 98 A HA -0.038 4.281 4.320 -0.001 0.000 0.218 98 A C 2.111 179.530 177.584 -0.276 0.000 1.175 98 A CA 1.711 53.432 52.037 -0.525 0.000 0.628 98 A CB -0.553 17.626 19.000 -1.367 0.000 0.814 98 A HN 0.608 8.758 8.150 -0.000 0.000 0.444 99 L N -0.049 121.157 121.223 -0.028 0.000 2.056 99 L HA -0.073 4.266 4.340 -0.001 0.000 0.207 99 L C 2.213 179.156 176.870 0.121 0.000 1.078 99 L CA 1.595 56.576 54.840 0.236 0.000 0.749 99 L CB -0.406 41.854 42.059 0.335 0.000 0.901 99 L HN 0.440 8.670 8.230 -0.000 0.000 0.433 100 I N -0.384 120.249 120.570 0.104 0.000 2.226 100 I HA -0.318 3.851 4.170 -0.001 0.000 0.245 100 I C 2.398 178.554 176.117 0.065 0.000 1.100 100 I CA 1.379 62.722 61.300 0.073 0.000 1.374 100 I CB -0.641 37.386 38.000 0.046 0.000 1.057 100 I HN 0.441 8.651 8.210 -0.000 0.000 0.413 101 N N 1.421 120.137 118.700 0.027 0.000 2.036 101 N HA -0.219 4.520 4.740 -0.001 0.000 0.195 101 N C 1.965 177.546 175.510 0.119 0.000 1.037 101 N CA 1.925 55.007 53.050 0.052 0.000 0.855 101 N CB -0.129 38.382 38.487 0.039 0.000 1.033 101 N HN 0.290 8.670 8.380 -0.000 0.000 0.423 102 M N -0.026 119.600 119.600 0.043 0.000 2.117 102 M HA -0.125 4.354 4.480 -0.001 0.000 0.262 102 M C 2.243 178.502 176.300 -0.069 0.000 1.065 102 M CA 1.033 56.276 55.300 -0.095 0.000 1.114 102 M CB -0.160 32.260 32.600 -0.299 0.000 1.361 102 M HN -0.048 8.242 8.290 -0.000 0.000 0.408 103 V N -0.143 119.764 119.914 -0.011 0.000 2.427 103 V HA -0.257 3.863 4.120 -0.001 0.000 0.248 103 V C 2.102 178.235 176.094 0.065 0.000 1.051 103 V CA 1.720 64.018 62.300 -0.004 0.000 1.048 103 V CB -0.759 31.064 31.823 -0.000 0.000 0.666 103 V HN 0.373 8.563 8.190 -0.000 0.000 0.456 104 F N 0.689 120.625 119.950 -0.023 0.000 2.134 104 F HA -0.220 4.306 4.527 -0.002 0.000 0.299 104 F C 2.554 178.373 175.800 0.031 0.000 1.097 104 F CA 2.342 60.350 58.000 0.012 0.000 1.264 104 F CB -0.230 38.794 39.000 0.040 0.000 1.001 104 F HN 0.118 8.418 8.300 -0.000 0.000 0.479 105 Q N -0.288 119.711 119.800 0.332 0.000 2.016 105 Q HA -0.170 4.170 4.340 -0.001 0.000 0.200 105 Q C 1.886 177.939 176.000 0.087 0.000 0.978 105 Q CA 1.933 57.882 55.803 0.244 0.000 0.833 105 Q CB -0.051 28.856 28.738 0.282 0.000 0.895 105 Q HN 0.476 8.746 8.270 -0.000 0.000 0.427 106 M N -0.879 118.728 119.600 0.013 0.000 2.367 106 M HA 0.254 4.733 4.480 -0.001 0.000 0.256 106 M C 0.475 176.754 176.300 -0.035 0.000 1.091 106 M CA 0.453 55.744 55.300 -0.015 0.000 1.049 106 M CB 1.561 34.104 32.600 -0.095 0.000 1.406 106 M HN 0.284 8.573 8.290 -0.000 0.000 0.498 107 G N 1.400 110.168 108.800 -0.054 0.000 2.733 107 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.686 107 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.686 107 G C 0.017 174.886 174.900 -0.052 0.000 1.373 107 G CA -0.172 44.892 45.100 -0.059 0.000 0.838 107 G HN 0.431 8.721 8.290 -0.000 0.000 0.588 108 E N -0.429 119.743 120.200 -0.047 0.000 2.065 108 E HA -0.194 4.156 4.350 -0.001 0.000 0.201 108 E C 2.735 179.321 176.600 -0.023 0.000 1.016 108 E CA 2.279 58.656 56.400 -0.039 0.000 0.818 108 E CB -0.168 29.510 29.700 -0.036 0.000 0.749 108 E HN 0.644 9.004 8.360 -0.000 0.000 0.453 109 T N -0.383 114.163 114.554 -0.015 0.000 2.684 109 T HA -0.171 4.178 4.350 -0.001 0.000 0.267 109 T C 1.678 176.396 174.700 0.029 0.000 1.036 109 T CA 1.305 63.407 62.100 0.005 0.000 1.148 109 T CB -0.691 68.178 68.868 0.002 0.000 0.863 109 T HN 0.418 8.658 8.240 -0.000 0.000 0.436 110 G N 0.933 109.748 108.800 0.025 0.000 2.433 110 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.216 110 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.216 110 G C 1.712 176.669 174.900 0.095 0.000 1.186 110 G CA 1.044 46.187 45.100 0.072 0.000 0.779 110 G HN 0.453 8.743 8.290 -0.000 0.000 0.543 111 V N 1.628 121.510 119.914 -0.054 0.000 2.427 111 V HA -0.080 4.039 4.120 -0.001 0.000 0.248 111 V C 3.301 179.402 176.094 0.011 0.000 1.051 111 V CA 1.769 63.966 62.300 -0.172 0.000 1.048 111 V CB -0.889 30.792 31.823 -0.237 0.000 0.666 111 V HN 0.465 8.655 8.190 -0.000 0.000 0.456 112 A N 0.786 123.623 122.820 0.030 0.000 2.076 112 A HA -0.099 4.220 4.320 -0.001 0.000 0.220 112 A C 2.298 179.940 177.584 0.096 0.000 1.160 112 A CA 1.705 53.771 52.037 0.048 0.000 0.653 112 A CB -0.965 18.049 19.000 0.024 0.000 0.801 112 A HN 0.560 8.710 8.150 -0.000 0.000 0.455 113 G N -1.802 107.091 108.800 0.155 0.000 2.534 113 G HA2 0.044 4.003 3.960 -0.001 0.000 0.217 113 G HA3 0.044 4.003 3.960 -0.001 0.000 0.217 113 G C 0.396 175.394 174.900 0.162 0.000 1.128 113 G CA 0.071 45.259 45.100 0.146 0.000 0.784 113 G HN 0.377 8.667 8.290 -0.000 0.000 0.542 114 F N 2.306 122.237 119.950 -0.033 0.000 2.705 114 F HA 0.248 4.774 4.527 -0.003 0.000 0.355 114 F C 1.966 177.745 175.800 -0.035 0.000 1.172 114 F CA -0.510 57.470 58.000 -0.033 0.000 1.332 114 F CB -0.501 38.464 39.000 -0.058 0.000 1.621 114 F HN -0.085 8.215 8.300 -0.000 0.000 0.605 115 T N -0.303 114.302 114.554 0.086 0.000 2.607 115 T HA -0.254 4.095 4.350 -0.001 0.000 0.267 115 T C 2.074 176.791 174.700 0.027 0.000 1.049 115 T CA 1.846 63.972 62.100 0.044 0.000 1.162 115 T CB -0.078 68.797 68.868 0.013 0.000 0.863 115 T HN 0.367 8.607 8.240 -0.000 0.000 0.424 116 N N 1.001 119.707 118.700 0.009 0.000 2.120 116 N HA -0.046 4.694 4.740 -0.001 0.000 0.188 116 N C 2.209 177.724 175.510 0.007 0.000 1.024 116 N CA 1.109 54.158 53.050 -0.002 0.000 0.852 116 N CB -0.524 37.952 38.487 -0.018 0.000 1.003 116 N HN 0.284 8.664 8.380 -0.000 0.000 0.424 117 S N 1.401 117.128 115.700 0.045 0.000 2.368 117 S HA 0.030 4.500 4.470 -0.001 0.000 0.225 117 S C 2.196 176.784 174.600 -0.020 0.000 1.030 117 S CA 0.575 58.798 58.200 0.038 0.000 0.999 117 S CB -0.256 63.027 63.200 0.138 0.000 0.844 117 S HN 0.235 8.545 8.310 -0.000 0.000 0.459 118 L N 1.076 122.303 121.223 0.007 0.000 2.042 118 L HA -0.143 4.196 4.340 -0.001 0.000 0.210 118 L C 2.737 179.591 176.870 -0.027 0.000 1.076 118 L CA 1.419 56.248 54.840 -0.018 0.000 0.749 118 L CB -0.469 41.598 42.059 0.014 0.000 0.893 118 L HN 0.265 8.495 8.230 -0.000 0.000 0.432 119 R N 0.232 120.719 120.500 -0.022 0.000 2.081 119 R HA -0.164 4.175 4.340 -0.001 0.000 0.235 119 R C 2.348 178.609 176.300 -0.066 0.000 1.131 119 R CA 1.507 57.586 56.100 -0.036 0.000 0.960 119 R CB -0.152 30.130 30.300 -0.030 0.000 0.856 119 R HN 0.259 8.529 8.270 -0.000 0.000 0.436 120 M N 0.445 120.004 119.600 -0.070 0.000 2.117 120 M HA -0.181 4.298 4.480 -0.001 0.000 0.262 120 M C 2.240 178.448 176.300 -0.153 0.000 1.065 120 M CA 1.625 56.862 55.300 -0.105 0.000 1.114 120 M CB -0.198 32.357 32.600 -0.075 0.000 1.361 120 M HN 0.188 8.478 8.290 -0.000 0.000 0.408 121 L N -0.482 120.679 121.223 -0.103 0.000 2.046 121 L HA -0.251 4.088 4.340 -0.001 0.000 0.208 121 L C 2.627 179.445 176.870 -0.085 0.000 1.077 121 L CA 1.449 56.259 54.840 -0.049 0.000 0.747 121 L CB -0.689 41.343 42.059 -0.045 0.000 0.896 121 L HN 0.395 8.625 8.230 -0.000 0.000 0.432 122 Q N -0.027 119.734 119.800 -0.064 0.000 2.135 122 Q HA -0.258 4.081 4.340 -0.001 0.000 0.204 122 Q C 2.037 177.965 176.000 -0.120 0.000 0.981 122 Q CA 1.561 57.334 55.803 -0.051 0.000 0.856 122 Q CB 0.070 28.790 28.738 -0.029 0.000 0.902 122 Q HN 0.532 8.802 8.270 -0.000 0.000 0.425 123 Q N -0.248 119.446 119.800 -0.177 0.000 2.444 123 Q HA -0.004 4.335 4.340 -0.001 0.000 0.206 123 Q C -0.377 175.398 176.000 -0.375 0.000 0.948 123 Q CA 0.326 56.001 55.803 -0.214 0.000 0.946 123 Q CB 0.399 29.033 28.738 -0.173 0.000 1.027 123 Q HN 0.222 8.492 8.270 -0.000 0.000 0.513 124 K N 0.066 120.082 120.400 -0.640 0.000 3.192 124 K HA -0.197 4.122 4.320 -0.001 0.000 0.278 124 K C -0.647 175.146 176.600 -1.345 0.000 1.164 124 K CA 0.535 56.002 56.287 -1.367 0.000 0.816 124 K CB -1.352 30.641 32.500 -0.845 0.000 1.256 124 K HN 0.234 8.484 8.250 -0.000 0.000 0.497 125 R N 0.393 120.418 120.500 -0.793 0.000 3.171 125 R HA 0.108 4.447 4.340 -0.001 0.000 0.241 125 R C 0.733 176.887 176.300 -0.243 0.000 1.421 125 R CA -0.326 55.510 56.100 -0.441 0.000 1.444 125 R CB -0.218 29.940 30.300 -0.237 0.000 1.247 125 R HN 0.275 8.545 8.270 -0.000 0.000 0.636 126 W N 0.699 121.999 121.300 -0.001 0.000 2.333 126 W HA -0.193 4.467 4.660 0.000 0.000 0.316 126 W C 1.273 177.803 176.519 0.019 0.000 1.215 126 W CA 0.450 57.804 57.345 0.015 0.000 1.278 126 W CB -0.073 29.406 29.460 0.032 0.000 1.154 126 W HN 0.360 8.540 8.180 -0.000 0.000 0.486 127 D N 0.282 120.812 120.400 0.217 0.000 2.117 127 D HA -0.156 4.484 4.640 -0.001 0.000 0.197 127 D C 1.790 178.137 176.300 0.079 0.000 0.987 127 D CA 1.599 55.677 54.000 0.130 0.000 0.829 127 D CB -0.547 40.307 40.800 0.090 0.000 0.961 127 D HN 0.291 8.661 8.370 -0.000 0.000 0.460 128 E N 0.629 120.854 120.200 0.041 0.000 2.051 128 E HA -0.125 4.224 4.350 -0.001 0.000 0.192 128 E C 2.122 178.737 176.600 0.025 0.000 0.991 128 E CA 1.152 57.560 56.400 0.013 0.000 0.799 128 E CB -0.127 29.559 29.700 -0.023 0.000 0.748 128 E HN 0.216 8.576 8.360 -0.000 0.000 0.449 129 A N 1.496 124.339 122.820 0.038 0.000 1.908 129 A HA -0.163 4.157 4.320 -0.001 0.000 0.218 129 A C 2.413 180.044 177.584 0.080 0.000 1.181 129 A CA 1.805 53.866 52.037 0.041 0.000 0.627 129 A CB -0.785 18.239 19.000 0.041 0.000 0.818 129 A HN 0.301 8.451 8.150 -0.000 0.000 0.445 130 A N -0.779 122.113 122.820 0.119 0.000 1.933 130 A HA 0.019 4.338 4.320 -0.001 0.000 0.218 130 A C 2.230 179.854 177.584 0.067 0.000 1.175 130 A CA 1.763 53.881 52.037 0.134 0.000 0.628 130 A CB -0.784 18.303 19.000 0.146 0.000 0.814 130 A HN 0.374 8.524 8.150 -0.000 0.000 0.444 131 V N 0.879 120.815 119.914 0.035 0.000 2.323 131 V HA -0.227 3.892 4.120 -0.001 0.000 0.244 131 V C 2.503 178.588 176.094 -0.015 0.000 1.041 131 V CA 2.025 64.317 62.300 -0.012 0.000 1.025 131 V CB -0.830 30.988 31.823 -0.009 0.000 0.656 131 V HN 0.744 8.934 8.190 -0.000 0.000 0.451 132 N N 0.270 118.980 118.700 0.017 0.000 2.120 132 N HA -0.144 4.595 4.740 -0.001 0.000 0.188 132 N C 1.928 177.487 175.510 0.082 0.000 1.024 132 N CA 1.472 54.538 53.050 0.025 0.000 0.852 132 N CB -0.099 38.404 38.487 0.026 0.000 1.003 132 N HN 0.412 8.792 8.380 -0.000 0.000 0.424 133 L N 0.893 122.213 121.223 0.161 0.000 2.079 133 L HA -0.148 4.192 4.340 -0.001 0.000 0.210 133 L C 2.502 179.570 176.870 0.330 0.000 1.081 133 L CA 1.288 56.347 54.840 0.365 0.000 0.752 133 L CB -0.383 41.934 42.059 0.430 0.000 0.896 133 L HN 0.192 8.422 8.230 -0.000 0.000 0.433 134 A N -0.539 122.287 122.820 0.011 0.000 2.121 134 A HA -0.113 4.207 4.320 -0.001 0.000 0.218 134 A C 1.271 178.694 177.584 -0.268 0.000 1.154 134 A CA 0.777 52.551 52.037 -0.438 0.000 0.679 134 A CB -0.268 18.216 19.000 -0.859 0.000 0.795 134 A HN 0.279 8.429 8.150 -0.000 0.000 0.458 135 K N 1.844 122.203 120.400 -0.068 0.000 2.307 135 K HA 0.255 4.574 4.320 -0.001 0.000 0.240 135 K C -0.657 175.966 176.600 0.039 0.000 1.214 135 K CA 0.232 56.505 56.287 -0.023 0.000 1.149 135 K CB -0.150 32.329 32.500 -0.035 0.000 1.668 135 K HN 0.495 8.745 8.250 -0.000 0.000 0.314 136 S N -0.916 114.870 115.700 0.142 0.000 2.565 136 S HA 0.274 4.744 4.470 -0.001 0.000 0.269 136 S C 0.516 175.273 174.600 0.262 0.000 1.153 136 S CA -1.181 57.134 58.200 0.192 0.000 0.835 136 S CB 1.986 65.432 63.200 0.410 0.000 1.122 136 S HN 0.505 8.815 8.310 -0.000 0.000 0.462 137 R N -0.158 120.476 120.500 0.223 0.000 2.105 137 R HA -0.127 4.212 4.340 -0.001 0.000 0.239 137 R C 1.826 178.312 176.300 0.310 0.000 1.135 137 R CA 2.044 58.274 56.100 0.217 0.000 0.967 137 R CB -0.448 29.958 30.300 0.176 0.000 0.861 137 R HN 0.798 9.068 8.270 -0.000 0.000 0.442 138 W N 0.687 122.122 121.300 0.226 0.000 2.317 138 W HA -0.315 4.344 4.660 -0.000 0.000 0.318 138 W C 1.882 178.532 176.519 0.219 0.000 1.227 138 W CA 1.957 59.446 57.345 0.240 0.000 1.269 138 W CB -1.022 28.650 29.460 0.353 0.000 1.155 138 W HN 0.197 8.377 8.180 -0.000 0.000 0.484 139 Y N 1.589 121.877 120.300 -0.020 0.000 2.181 139 Y HA -0.241 4.308 4.550 -0.001 0.000 0.288 139 Y C 2.171 177.980 175.900 -0.152 0.000 1.146 139 Y CA 2.735 60.654 58.100 -0.302 0.000 1.164 139 Y CB -0.958 37.440 38.460 -0.103 0.000 0.982 139 Y HN 0.029 8.309 8.280 -0.000 0.000 0.515 140 N N -0.626 118.135 118.700 0.101 0.000 2.188 140 N HA -0.170 4.570 4.740 -0.001 0.000 0.184 140 N C 1.679 177.150 175.510 -0.065 0.000 1.018 140 N CA 1.334 54.395 53.050 0.018 0.000 0.858 140 N CB -0.083 38.467 38.487 0.106 0.000 0.989 140 N HN 0.341 8.721 8.380 -0.000 0.000 0.426 141 Q N -0.441 119.343 119.800 -0.026 0.000 2.096 141 Q HA 0.046 4.385 4.340 -0.001 0.000 0.197 141 Q C 0.497 176.445 176.000 -0.085 0.000 0.964 141 Q CA 1.141 56.928 55.803 -0.025 0.000 0.838 141 Q CB -0.123 28.644 28.738 0.048 0.000 0.906 141 Q HN 0.444 8.714 8.270 -0.000 0.000 0.444 142 T N -1.856 112.602 114.554 -0.159 0.000 3.504 142 T HA 0.299 4.648 4.350 -0.001 0.000 0.286 142 T C -2.333 172.140 174.700 -0.379 0.000 1.530 142 T CA -1.567 60.417 62.100 -0.193 0.000 1.652 142 T CB 1.323 70.139 68.868 -0.086 0.000 0.895 142 T HN -0.096 8.144 8.240 -0.000 0.000 0.674 143 P HA -0.072 4.348 4.420 -0.000 0.000 0.216 143 P C 1.197 178.218 177.300 -0.465 0.000 1.153 143 P CA 1.065 63.755 63.100 -0.683 0.000 0.848 143 P CB 0.202 31.527 31.700 -0.624 0.000 0.787 144 N N -0.472 118.057 118.700 -0.284 0.000 2.188 144 N HA -0.104 4.635 4.740 -0.001 0.000 0.184 144 N C 1.965 177.369 175.510 -0.177 0.000 1.018 144 N CA 0.759 53.689 53.050 -0.200 0.000 0.858 144 N CB -0.681 37.722 38.487 -0.141 0.000 0.989 144 N HN 0.152 8.532 8.380 -0.000 0.000 0.426 145 R N 0.778 121.182 120.500 -0.160 0.000 2.062 145 R HA 0.057 4.396 4.340 -0.001 0.000 0.229 145 R C 1.923 178.159 176.300 -0.106 0.000 1.128 145 R CA 1.124 57.179 56.100 -0.075 0.000 0.960 145 R CB -0.199 30.109 30.300 0.014 0.000 0.855 145 R HN 0.147 8.417 8.270 -0.000 0.000 0.432 146 A N 1.683 124.284 122.820 -0.365 0.000 1.892 146 A HA -0.216 4.103 4.320 -0.001 0.000 0.218 146 A C 2.037 179.498 177.584 -0.205 0.000 1.188 146 A CA 1.745 53.382 52.037 -0.668 0.000 0.631 146 A CB -0.422 17.783 19.000 -1.326 0.000 0.822 146 A HN 0.336 8.486 8.150 -0.000 0.000 0.447 147 K N -0.758 119.557 120.400 -0.142 0.000 2.063 147 K HA -0.177 4.143 4.320 -0.001 0.000 0.208 147 K C 2.340 178.942 176.600 0.004 0.000 1.048 147 K CA 1.649 57.937 56.287 0.002 0.000 0.928 147 K CB -0.231 32.244 32.500 -0.042 0.000 0.713 147 K HN 0.438 8.688 8.250 -0.000 0.000 0.442 148 R N 0.396 120.859 120.500 -0.061 0.000 2.073 148 R HA -0.103 4.236 4.340 -0.001 0.000 0.234 148 R C 2.360 178.715 176.300 0.093 0.000 1.134 148 R CA 1.322 57.358 56.100 -0.107 0.000 0.952 148 R CB -0.450 29.612 30.300 -0.395 0.000 0.850 148 R HN 0.020 8.290 8.270 -0.000 0.000 0.433 149 V N 1.306 121.337 119.914 0.194 0.000 2.358 149 V HA -0.209 3.910 4.120 -0.001 0.000 0.246 149 V C 2.248 178.475 176.094 0.222 0.000 1.047 149 V CA 1.608 64.051 62.300 0.237 0.000 1.035 149 V CB -0.351 31.735 31.823 0.438 0.000 0.658 149 V HN 0.264 8.454 8.190 -0.000 0.000 0.452 150 I N -0.052 120.717 120.570 0.332 0.000 2.286 150 I HA -0.224 3.945 4.170 -0.001 0.000 0.248 150 I C 2.504 178.764 176.117 0.239 0.000 1.115 150 I CA 1.694 63.227 61.300 0.388 0.000 1.392 150 I CB -0.513 37.676 38.000 0.316 0.000 1.065 150 I HN 0.292 8.502 8.210 -0.000 0.000 0.418 151 T N -0.091 114.543 114.554 0.132 0.000 2.833 151 T HA -0.144 4.205 4.350 -0.001 0.000 0.269 151 T C 1.880 176.590 174.700 0.017 0.000 1.054 151 T CA 1.857 63.998 62.100 0.069 0.000 1.135 151 T CB -0.237 68.651 68.868 0.034 0.000 0.869 151 T HN 0.381 8.621 8.240 -0.000 0.000 0.466 152 T N 1.548 116.097 114.554 -0.007 0.000 2.777 152 T HA -0.008 4.342 4.350 -0.001 0.000 0.266 152 T C 1.524 176.085 174.700 -0.232 0.000 1.040 152 T CA 0.927 62.929 62.100 -0.163 0.000 1.141 152 T CB -0.425 68.322 68.868 -0.201 0.000 0.868 152 T HN 0.281 8.521 8.240 -0.000 0.000 0.444 153 F N 1.293 121.186 119.950 -0.094 0.000 2.186 153 F HA 0.107 4.634 4.527 -0.000 0.000 0.299 153 F C 2.554 178.212 175.800 -0.237 0.000 1.090 153 F CA 0.558 58.467 58.000 -0.152 0.000 1.307 153 F CB -0.392 38.630 39.000 0.037 0.000 1.019 153 F HN -0.023 8.277 8.300 -0.000 0.000 0.489 154 R N -0.078 120.485 120.500 0.105 0.000 2.066 154 R HA -0.145 4.194 4.340 -0.001 0.000 0.232 154 R C 2.209 178.432 176.300 -0.129 0.000 1.131 154 R CA 2.098 58.235 56.100 0.062 0.000 0.955 154 R CB -0.390 29.976 30.300 0.109 0.000 0.851 154 R HN 0.410 8.680 8.270 -0.000 0.000 0.432 155 T N -4.488 109.966 114.554 -0.167 0.000 3.040 155 T HA 0.177 4.526 4.350 -0.001 0.000 0.252 155 T C 1.325 175.840 174.700 -0.309 0.000 1.064 155 T CA 0.592 62.577 62.100 -0.192 0.000 1.110 155 T CB 0.564 69.367 68.868 -0.109 0.000 0.921 155 T HN 0.393 8.633 8.240 -0.000 0.000 0.480 156 G N 1.803 110.360 108.800 -0.405 0.000 2.153 156 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.252 156 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.252 156 G C 0.242 174.900 174.900 -0.403 0.000 0.994 156 G CA 0.821 45.649 45.100 -0.453 0.000 0.698 156 G HN 1.252 9.542 8.290 -0.000 0.000 0.521 157 T N -4.665 109.678 114.554 -0.352 0.000 2.888 157 T HA 0.587 4.936 4.350 -0.001 0.000 0.288 157 T C 0.386 174.887 174.700 -0.331 0.000 1.063 157 T CA -0.504 61.412 62.100 -0.306 0.000 1.010 157 T CB 1.360 70.163 68.868 -0.108 0.000 1.214 157 T HN 0.284 8.524 8.240 -0.000 0.000 0.533 158 W N 0.306 121.606 121.300 0.000 0.000 3.325 158 W HA 0.242 4.901 4.660 -0.001 0.000 0.370 158 W C 0.844 177.424 176.519 0.102 0.000 1.169 158 W CA -0.568 56.812 57.345 0.058 0.000 1.874 158 W CB 0.069 29.544 29.460 0.025 0.000 1.076 158 W HN 0.722 8.902 8.180 -0.000 0.000 0.684 159 D N 0.768 121.294 120.400 0.211 0.000 2.190 159 D HA -0.216 4.424 4.640 -0.001 0.000 0.200 159 D C 2.180 178.550 176.300 0.117 0.000 0.992 159 D CA 1.621 55.705 54.000 0.140 0.000 0.854 159 D CB -0.550 40.289 40.800 0.065 0.000 0.936 159 D HN 0.223 8.593 8.370 -0.000 0.000 0.462 160 A N -0.569 122.318 122.820 0.113 0.000 2.119 160 A HA -0.121 4.198 4.320 -0.001 0.000 0.217 160 A C 1.310 178.787 177.584 -0.178 0.000 1.153 160 A CA 0.764 52.766 52.037 -0.058 0.000 0.692 160 A CB -0.453 18.456 19.000 -0.151 0.000 0.799 160 A HN 0.265 8.415 8.150 -0.000 0.000 0.458 161 Y N -1.062 119.305 120.300 0.112 0.000 2.444 161 Y HA 0.224 4.773 4.550 -0.001 0.000 0.249 161 Y C 1.162 177.092 175.900 0.049 0.000 1.134 161 Y CA 0.044 58.196 58.100 0.085 0.000 1.261 161 Y CB 0.434 38.969 38.460 0.125 0.000 1.143 161 Y HN 0.070 8.350 8.280 -0.000 0.000 0.523 162 K N 1.499 122.005 120.400 0.176 0.000 3.225 162 K HA 0.042 4.362 4.320 -0.001 0.000 0.282 162 K C -0.351 176.282 176.600 0.054 0.000 1.060 162 K CA 0.381 56.733 56.287 0.107 0.000 1.186 162 K CB -0.477 32.090 32.500 0.111 0.000 1.214 162 K HN 0.544 8.794 8.250 -0.000 0.000 0.428 163 N N -1.760 116.963 118.700 0.038 0.000 1.895 163 N HA 0.030 4.769 4.740 -0.001 0.000 0.243 163 N C 0.154 175.668 175.510 0.006 0.000 1.350 163 N CA -0.351 52.708 53.050 0.014 0.000 0.789 163 N CB 0.075 38.563 38.487 0.002 0.000 1.195 163 N HN -0.073 8.307 8.380 -0.000 0.000 0.489 164 L N 0.610 121.839 121.223 0.010 0.000 2.416 164 L HA 0.507 4.846 4.340 -0.001 0.000 0.212 164 L C 1.832 178.706 176.870 0.008 0.000 1.200 164 L CA -0.192 54.651 54.840 0.004 0.000 0.841 164 L CB -0.159 41.902 42.059 0.003 0.000 1.299 164 L HN 0.175 8.405 8.230 -0.000 0.000 0.538 165 A N 0.381 123.203 122.820 0.004 0.000 2.728 165 A HA -0.126 4.193 4.320 -0.001 0.000 0.179 165 A C 2.240 179.823 177.584 -0.002 0.000 1.066 165 A CA 1.742 53.777 52.037 -0.003 0.000 0.950 165 A CB -1.514 17.480 19.000 -0.009 0.000 0.840 165 A HN 0.948 9.098 8.150 -0.000 0.000 0.565 166 A N -2.197 120.622 122.820 -0.002 0.000 2.000 166 A HA -0.128 4.192 4.320 -0.001 0.000 0.235 166 A C 2.001 179.578 177.584 -0.012 0.000 1.669 166 A CA 4.455 56.485 52.037 -0.011 0.000 0.728 166 A CB -1.131 17.865 19.000 -0.007 0.000 0.836 166 A HN 2.217 10.367 8.150 -0.000 0.000 0.534 167 A N -4.098 118.718 122.820 -0.006 0.000 1.868 167 A HA 0.670 4.989 4.320 -0.001 0.000 0.132 167 A C 0.983 178.562 177.584 -0.008 0.000 1.440 167 A CA 1.025 53.053 52.037 -0.015 0.000 2.235 167 A CB -0.803 18.180 19.000 -0.029 0.000 2.253 167 A HN 1.921 10.071 8.150 -0.000 0.000 1.206 168 A N 0.000 122.820 122.820 -0.000 0.000 2.254 168 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 168 A CA 0.000 52.050 52.037 0.022 0.000 0.836 168 A CB 0.000 19.008 19.000 0.013 0.000 0.831 168 A HN 0.000 8.150 8.150 -0.000 0.000 0.486