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 1wlv_1_D DATA FIRST_RESID 3 DATA SEQUENCE DPFMEALGLK VLHLAPGEAV VAGEVRADHL NLHGTAHGGF LYALADSAFA DATA SEQUENCE LASNTRGPAV ALSCRMDYFR PLGAGARVEA RAVEVNLSRR TATYRVEVVS DATA SEQUENCE EGKLVALFTG TVFRL 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 3 D HA 0.000 4.640 4.640 0.000 0.000 0.175 3 D C 0.000 176.337 176.300 0.062 0.000 2.045 3 D CA 0.000 54.022 54.000 0.036 0.000 0.868 3 D CB 0.000 40.818 40.800 0.030 0.000 0.688 4 P HA -0.124 4.296 4.420 0.000 0.000 0.216 4 P C 1.422 178.818 177.300 0.161 0.000 1.157 4 P CA 0.807 63.967 63.100 0.100 0.000 0.880 4 P CB 0.041 31.798 31.700 0.095 0.000 0.791 5 F N -0.801 119.158 119.950 0.015 0.000 2.186 5 F HA -0.102 4.423 4.527 -0.003 0.000 0.299 5 F C 2.227 178.042 175.800 0.025 0.000 1.090 5 F CA 1.393 59.408 58.000 0.025 0.000 1.307 5 F CB -0.768 38.245 39.000 0.022 0.000 1.019 5 F HN -0.196 8.104 8.300 0.000 0.000 0.489 6 M N -0.297 119.314 119.600 0.018 0.000 2.117 6 M HA -0.216 4.262 4.480 -0.003 0.000 0.262 6 M C 2.047 178.301 176.300 -0.077 0.000 1.065 6 M CA 1.864 57.111 55.300 -0.088 0.000 1.114 6 M CB -0.559 32.021 32.600 -0.033 0.000 1.361 6 M HN 0.133 8.423 8.290 0.000 0.000 0.408 7 E N 0.424 120.612 120.200 -0.021 0.000 2.072 7 E HA -0.147 4.202 4.350 -0.003 0.000 0.191 7 E C 2.113 178.708 176.600 -0.008 0.000 0.985 7 E CA 1.207 57.604 56.400 -0.006 0.000 0.801 7 E CB -0.184 29.525 29.700 0.014 0.000 0.750 7 E HN 0.506 8.866 8.360 0.000 0.000 0.452 8 A N 1.237 124.049 122.820 -0.015 0.000 1.933 8 A HA -0.139 4.180 4.320 -0.003 0.000 0.218 8 A C 2.077 179.648 177.584 -0.020 0.000 1.175 8 A CA 1.053 53.087 52.037 -0.005 0.000 0.628 8 A CB -0.471 18.549 19.000 0.034 0.000 0.814 8 A HN 0.151 8.301 8.150 0.000 0.000 0.444 9 L N -1.157 119.994 121.223 -0.119 0.000 2.591 9 L HA 0.171 4.510 4.340 -0.003 0.000 0.228 9 L C 1.584 178.523 176.870 0.116 0.000 1.133 9 L CA 0.453 55.285 54.840 -0.013 0.000 0.880 9 L CB -0.430 41.482 42.059 -0.244 0.000 1.033 9 L HN 0.590 8.820 8.230 0.000 0.000 0.450 10 G N 0.990 109.823 108.800 0.055 0.000 2.176 10 G HA2 -0.274 3.685 3.960 -0.003 0.000 0.252 10 G HA3 -0.274 3.685 3.960 -0.003 0.000 0.252 10 G C 0.185 175.116 174.900 0.052 0.000 1.024 10 G CA -0.088 45.054 45.100 0.069 0.000 0.755 10 G HN 0.257 8.547 8.290 0.000 0.000 0.507 11 L N -0.278 120.945 121.223 -0.001 0.000 2.395 11 L HA 0.546 4.884 4.340 -0.003 0.000 0.269 11 L C 0.380 177.237 176.870 -0.022 0.000 1.133 11 L CA -0.404 54.419 54.840 -0.028 0.000 0.812 11 L CB 0.837 42.836 42.059 -0.099 0.000 1.125 11 L HN -0.060 8.170 8.230 0.000 0.000 0.452 12 K N 2.114 122.503 120.400 -0.018 0.000 2.371 12 K HA 0.483 4.801 4.320 -0.003 0.000 0.251 12 K C -1.029 175.559 176.600 -0.020 0.000 0.934 12 K CA -0.776 55.503 56.287 -0.013 0.000 0.798 12 K CB 2.577 35.078 32.500 0.002 0.000 1.204 12 K HN 0.201 8.451 8.250 0.000 0.000 0.427 13 V N 4.604 124.506 119.914 -0.020 0.000 2.385 13 V HA 0.166 4.285 4.120 -0.003 0.000 0.269 13 V C 1.508 177.603 176.094 0.001 0.000 1.043 13 V CA -0.230 62.057 62.300 -0.021 0.000 0.906 13 V CB 0.470 32.273 31.823 -0.034 0.000 0.995 13 V HN 0.631 8.821 8.190 0.000 0.000 0.467 14 L N 3.232 124.467 121.223 0.021 0.000 2.298 14 L HA 0.274 4.612 4.340 -0.003 0.000 0.209 14 L C 0.655 177.594 176.870 0.115 0.000 1.084 14 L CA 0.637 55.507 54.840 0.050 0.000 0.816 14 L CB 0.019 42.104 42.059 0.043 0.000 0.967 14 L HN 0.741 8.971 8.230 0.000 0.000 0.460 15 H N -0.621 118.437 119.070 -0.021 0.000 3.038 15 H HA 0.631 5.187 4.556 -0.001 0.000 0.362 15 H C -1.735 173.580 175.328 -0.022 0.000 1.167 15 H CA -0.917 55.121 56.048 -0.017 0.000 1.197 15 H CB 1.993 31.749 29.762 -0.011 0.000 1.840 15 H HN -0.179 8.101 8.280 0.000 0.000 0.540 16 L N 3.820 124.668 121.223 -0.624 0.000 2.562 16 L HA 0.856 5.194 4.340 -0.003 0.000 0.266 16 L C -1.651 174.915 176.870 -0.508 0.000 0.949 16 L CA 0.234 54.811 54.840 -0.439 0.000 0.879 16 L CB 1.311 43.243 42.059 -0.212 0.000 1.278 16 L HN 0.892 9.122 8.230 0.000 0.000 0.404 17 A N 4.632 127.231 122.820 -0.368 0.000 2.593 17 A HA 0.951 5.269 4.320 -0.003 0.000 0.290 17 A C -2.976 174.563 177.584 -0.074 0.000 1.126 17 A CA -1.540 50.381 52.037 -0.193 0.000 0.695 17 A CB 1.395 20.323 19.000 -0.120 0.000 1.290 17 A HN 0.483 8.633 8.150 0.000 0.000 0.414 18 P HA 0.261 4.681 4.420 0.000 0.000 0.258 18 P C 0.933 178.260 177.300 0.045 0.000 1.187 18 P CA 2.434 65.537 63.100 0.005 0.000 0.767 18 P CB 0.318 32.024 31.700 0.010 0.000 0.770 19 G N 2.408 111.255 108.800 0.079 0.000 2.168 19 G HA2 -0.229 3.730 3.960 -0.003 0.000 0.263 19 G HA3 -0.229 3.730 3.960 -0.003 0.000 0.263 19 G C -0.139 174.890 174.900 0.215 0.000 0.977 19 G CA 0.387 45.605 45.100 0.196 0.000 0.659 19 G HN 0.646 8.936 8.290 0.000 0.000 0.533 20 E N -1.572 118.686 120.200 0.096 0.000 2.412 20 E HA 0.822 5.171 4.350 -0.003 0.000 0.279 20 E C -0.571 176.032 176.600 0.005 0.000 0.984 20 E CA -0.769 55.688 56.400 0.095 0.000 0.788 20 E CB 1.825 31.609 29.700 0.139 0.000 1.277 20 E HN 1.553 9.913 8.360 0.000 0.000 0.455 21 A N 0.847 123.687 122.820 0.033 0.000 2.605 21 A HA 0.579 4.897 4.320 -0.003 0.000 0.294 21 A C -1.701 175.904 177.584 0.036 0.000 1.062 21 A CA -0.690 51.340 52.037 -0.011 0.000 0.682 21 A CB 1.907 20.856 19.000 -0.085 0.000 1.278 21 A HN 0.373 8.523 8.150 0.000 0.000 0.410 22 V N 1.391 121.334 119.914 0.049 0.000 2.525 22 V HA 0.599 4.718 4.120 -0.003 0.000 0.299 22 V C -0.617 175.474 176.094 -0.004 0.000 1.034 22 V CA -0.540 61.781 62.300 0.036 0.000 0.863 22 V CB 1.570 33.440 31.823 0.078 0.000 0.999 22 V HN 0.809 8.999 8.190 0.000 0.000 0.423 23 V N 3.667 123.555 119.914 -0.043 0.000 2.555 23 V HA 0.928 5.046 4.120 -0.003 0.000 0.302 23 V C 0.245 176.304 176.094 -0.058 0.000 1.038 23 V CA -0.357 61.905 62.300 -0.062 0.000 0.887 23 V CB 1.873 33.632 31.823 -0.107 0.000 0.991 23 V HN 1.023 9.213 8.190 0.000 0.000 0.434 24 A N 2.792 125.589 122.820 -0.038 0.000 2.384 24 A HA 1.063 5.381 4.320 -0.003 0.000 0.312 24 A C -0.039 177.541 177.584 -0.006 0.000 1.113 24 A CA -0.094 51.931 52.037 -0.019 0.000 0.779 24 A CB 2.114 21.116 19.000 0.004 0.000 1.307 24 A HN 1.407 9.557 8.150 0.000 0.000 0.436 25 G N -0.653 108.167 108.800 0.034 0.000 2.559 25 G HA2 0.534 4.493 3.960 -0.003 0.000 0.291 25 G HA3 0.534 4.493 3.960 -0.003 0.000 0.291 25 G C -1.727 173.275 174.900 0.170 0.000 1.424 25 G CA -0.325 44.840 45.100 0.108 0.000 0.786 25 G HN 0.874 9.164 8.290 0.000 0.000 0.485 26 E N -0.294 120.038 120.200 0.219 0.000 2.248 26 E HA 0.545 4.893 4.350 -0.003 0.000 0.267 26 E C -0.734 175.988 176.600 0.202 0.000 0.877 26 E CA -0.737 55.770 56.400 0.179 0.000 0.759 26 E CB 2.343 32.104 29.700 0.101 0.000 1.182 26 E HN 0.286 8.646 8.360 0.000 0.000 0.418 27 V N 5.593 125.594 119.914 0.145 0.000 2.421 27 V HA 0.146 4.265 4.120 -0.003 0.000 0.271 27 V C 0.506 176.583 176.094 -0.029 0.000 1.031 27 V CA -0.025 62.281 62.300 0.010 0.000 1.032 27 V CB -0.046 31.805 31.823 0.048 0.000 1.009 27 V HN 0.592 8.782 8.190 0.000 0.000 0.477 28 R N 3.786 124.216 120.500 -0.118 0.000 2.608 28 R HA 0.601 4.939 4.340 -0.003 0.000 0.255 28 R C 1.449 177.564 176.300 -0.309 0.000 1.086 28 R CA -0.178 55.747 56.100 -0.293 0.000 1.125 28 R CB 0.622 30.611 30.300 -0.519 0.000 1.193 28 R HN 0.595 8.865 8.270 0.000 0.000 0.553 29 A N 0.896 123.574 122.820 -0.236 0.000 1.972 29 A HA -0.173 4.146 4.320 -0.003 0.000 0.219 29 A C 1.107 178.577 177.584 -0.190 0.000 1.169 29 A CA 1.956 53.895 52.037 -0.164 0.000 0.635 29 A CB -0.482 18.448 19.000 -0.117 0.000 0.810 29 A HN 0.757 8.907 8.150 0.000 0.000 0.446 30 D N -1.654 118.556 120.400 -0.318 0.000 2.319 30 D HA -0.038 4.600 4.640 -0.003 0.000 0.230 30 D C 0.642 176.807 176.300 -0.225 0.000 1.094 30 D CA 0.414 54.259 54.000 -0.258 0.000 0.856 30 D CB -0.785 39.864 40.800 -0.252 0.000 0.915 30 D HN 0.734 9.104 8.370 0.000 0.000 0.517 31 H N -0.524 118.408 119.070 -0.231 0.000 2.672 31 H HA 0.320 4.875 4.556 -0.002 0.000 0.277 31 H C 0.375 175.622 175.328 -0.136 0.000 1.074 31 H CA -0.530 55.309 56.048 -0.348 0.000 1.173 31 H CB 0.963 30.155 29.762 -0.949 0.000 1.558 31 H HN -0.032 8.248 8.280 0.000 0.000 0.539 32 L N 1.695 122.939 121.223 0.036 0.000 2.421 32 L HA 0.183 4.521 4.340 -0.003 0.000 0.263 32 L C 0.422 177.377 176.870 0.141 0.000 1.122 32 L CA -0.928 53.958 54.840 0.077 0.000 0.804 32 L CB 0.700 42.775 42.059 0.026 0.000 1.150 32 L HN 0.338 8.568 8.230 0.000 0.000 0.457 33 N N 0.787 119.557 118.700 0.116 0.000 2.566 33 N HA 0.231 4.969 4.740 -0.003 0.000 0.299 33 N C 0.713 176.211 175.510 -0.019 0.000 1.277 33 N CA -0.832 52.260 53.050 0.069 0.000 0.965 33 N CB 0.151 38.552 38.487 -0.143 0.000 1.142 33 N HN 0.661 9.041 8.380 0.000 0.000 0.596 34 L N -3.454 117.688 121.223 -0.135 0.000 2.353 34 L HA 0.056 4.395 4.340 -0.003 0.000 0.220 34 L C 0.889 177.656 176.870 -0.172 0.000 1.133 34 L CA 1.357 56.087 54.840 -0.183 0.000 0.798 34 L CB -0.605 41.285 42.059 -0.282 0.000 0.922 34 L HN 0.439 8.669 8.230 0.000 0.000 0.445 35 H N 0.924 119.981 119.070 -0.021 0.000 2.548 35 H HA 0.256 4.811 4.556 -0.003 0.000 0.265 35 H C 1.786 177.108 175.328 -0.011 0.000 0.969 35 H CA 0.492 56.527 56.048 -0.021 0.000 1.155 35 H CB 0.666 30.407 29.762 -0.035 0.000 1.394 35 H HN 0.589 8.869 8.280 0.000 0.000 0.570 36 G N 1.442 110.297 108.800 0.091 0.000 2.141 36 G HA2 -0.279 3.679 3.960 -0.003 0.000 0.242 36 G HA3 -0.279 3.679 3.960 -0.003 0.000 0.242 36 G C 0.619 175.554 174.900 0.058 0.000 0.982 36 G CA 0.584 45.719 45.100 0.059 0.000 0.662 36 G HN 0.611 8.901 8.290 0.000 0.000 0.527 37 T N -2.132 112.468 114.554 0.075 0.000 2.940 37 T HA 0.842 5.190 4.350 -0.003 0.000 0.288 37 T C 0.580 175.328 174.700 0.080 0.000 1.045 37 T CA 0.288 62.429 62.100 0.068 0.000 1.018 37 T CB 1.938 70.843 68.868 0.061 0.000 1.151 37 T HN 1.798 10.038 8.240 0.000 0.000 0.529 38 A N 1.941 124.822 122.820 0.102 0.000 2.566 38 A HA 0.160 4.478 4.320 -0.003 0.000 0.245 38 A C 0.590 178.287 177.584 0.188 0.000 1.056 38 A CA -0.082 52.053 52.037 0.163 0.000 0.757 38 A CB -0.773 18.363 19.000 0.227 0.000 0.979 38 A HN 0.921 9.071 8.150 0.000 0.000 0.508 39 H N 2.313 121.466 119.070 0.138 0.000 2.928 39 H HA 0.086 4.640 4.556 -0.003 0.000 0.338 39 H C 1.615 177.040 175.328 0.161 0.000 1.047 39 H CA 1.145 57.266 56.048 0.123 0.000 1.435 39 H CB 1.040 30.885 29.762 0.139 0.000 1.428 39 H HN 0.697 8.977 8.280 0.000 0.000 0.590 40 G N 3.168 111.996 108.800 0.047 0.000 2.462 40 G HA2 -0.248 3.711 3.960 -0.003 0.000 0.220 40 G HA3 -0.248 3.711 3.960 -0.003 0.000 0.220 40 G C 1.619 176.800 174.900 0.469 0.000 1.121 40 G CA 0.575 45.742 45.100 0.111 0.000 0.758 40 G HN 0.703 8.993 8.290 0.000 0.000 0.559 41 G N 0.070 109.278 108.800 0.679 0.000 2.448 41 G HA2 -0.082 3.876 3.960 -0.003 0.000 0.218 41 G HA3 -0.082 3.876 3.960 -0.003 0.000 0.218 41 G C 1.504 176.637 174.900 0.388 0.000 1.135 41 G CA 0.721 46.095 45.100 0.457 0.000 0.784 41 G HN 0.366 8.656 8.290 0.000 0.000 0.543 42 F N 1.260 121.345 119.950 0.227 0.000 2.128 42 F HA 0.150 4.675 4.527 -0.002 0.000 0.295 42 F C 2.370 178.224 175.800 0.091 0.000 1.100 42 F CA 0.885 58.924 58.000 0.065 0.000 1.260 42 F CB -0.216 38.773 39.000 -0.019 0.000 1.009 42 F HN 0.015 8.315 8.300 0.000 0.000 0.476 43 L N -0.893 120.404 121.223 0.124 0.000 2.083 43 L HA -0.243 4.095 4.340 -0.003 0.000 0.209 43 L C 2.381 179.254 176.870 0.004 0.000 1.083 43 L CA 1.673 56.525 54.840 0.021 0.000 0.752 43 L CB -1.052 41.166 42.059 0.264 0.000 0.899 43 L HN 0.271 8.501 8.230 0.000 0.000 0.433 44 Y N 0.779 121.122 120.300 0.072 0.000 2.200 44 Y HA -0.200 4.348 4.550 -0.002 0.000 0.290 44 Y C 2.533 178.425 175.900 -0.013 0.000 1.137 44 Y CA 1.194 59.341 58.100 0.077 0.000 1.163 44 Y CB -0.213 38.363 38.460 0.194 0.000 0.988 44 Y HN 0.078 8.358 8.280 0.000 0.000 0.518 45 A N 0.226 123.142 122.820 0.159 0.000 1.940 45 A HA -0.212 4.106 4.320 -0.003 0.000 0.219 45 A C 2.162 179.620 177.584 -0.210 0.000 1.176 45 A CA 1.849 53.936 52.037 0.084 0.000 0.631 45 A CB -1.199 17.894 19.000 0.156 0.000 0.814 45 A HN 0.579 8.729 8.150 0.000 0.000 0.446 46 L N -0.394 120.591 121.223 -0.396 0.000 2.027 46 L HA 0.001 4.340 4.340 -0.003 0.000 0.206 46 L C 2.653 179.292 176.870 -0.385 0.000 1.074 46 L CA 2.297 56.883 54.840 -0.423 0.000 0.745 46 L CB -0.859 40.894 42.059 -0.510 0.000 0.898 46 L HN 0.308 8.538 8.230 0.000 0.000 0.433 47 A N -0.830 121.707 122.820 -0.472 0.000 1.902 47 A HA -0.268 4.051 4.320 -0.003 0.000 0.217 47 A C 2.093 179.091 177.584 -0.976 0.000 1.181 47 A CA 1.827 53.449 52.037 -0.692 0.000 0.623 47 A CB -1.069 17.477 19.000 -0.756 0.000 0.818 47 A HN 0.592 8.742 8.150 0.000 0.000 0.443 48 D N -0.629 119.213 120.400 -0.931 0.000 2.178 48 D HA -0.088 4.551 4.640 -0.003 0.000 0.201 48 D C 2.050 178.228 176.300 -0.204 0.000 0.980 48 D CA 1.553 55.200 54.000 -0.588 0.000 0.842 48 D CB 0.029 40.618 40.800 -0.352 0.000 0.948 48 D HN 0.348 8.718 8.370 0.000 0.000 0.472 49 S N -0.546 115.025 115.700 -0.215 0.000 2.368 49 S HA -0.057 4.412 4.470 -0.003 0.000 0.224 49 S C 2.065 176.563 174.600 -0.170 0.000 1.029 49 S CA 0.898 59.016 58.200 -0.137 0.000 0.988 49 S CB -0.328 62.797 63.200 -0.124 0.000 0.838 49 S HN 0.453 8.763 8.310 0.000 0.000 0.462 50 A N 1.142 123.835 122.820 -0.211 0.000 1.930 50 A HA -0.046 4.273 4.320 -0.003 0.000 0.217 50 A C 1.881 179.358 177.584 -0.179 0.000 1.175 50 A CA 1.335 53.266 52.037 -0.177 0.000 0.627 50 A CB -0.830 18.067 19.000 -0.171 0.000 0.815 50 A HN 0.503 8.653 8.150 0.000 0.000 0.443 51 F N 1.360 121.072 119.950 -0.397 0.000 2.095 51 F HA -0.109 4.416 4.527 -0.004 0.000 0.298 51 F C 2.439 178.030 175.800 -0.349 0.000 1.104 51 F CA 1.265 59.039 58.000 -0.376 0.000 1.232 51 F CB -0.762 38.002 39.000 -0.393 0.000 0.987 51 F HN 0.238 8.538 8.300 0.000 0.000 0.475 52 A N 0.882 123.425 122.820 -0.462 0.000 1.902 52 A HA -0.125 4.193 4.320 -0.003 0.000 0.217 52 A C 2.383 179.732 177.584 -0.391 0.000 1.181 52 A CA 1.894 53.631 52.037 -0.499 0.000 0.623 52 A CB -1.246 17.614 19.000 -0.233 0.000 0.818 52 A HN 0.526 8.676 8.150 0.000 0.000 0.443 53 L N -0.887 120.167 121.223 -0.281 0.000 2.027 53 L HA -0.179 4.160 4.340 -0.003 0.000 0.206 53 L C 3.139 179.857 176.870 -0.254 0.000 1.074 53 L CA 1.079 55.788 54.840 -0.218 0.000 0.745 53 L CB -0.585 41.379 42.059 -0.159 0.000 0.898 53 L HN 0.438 8.668 8.230 0.000 0.000 0.433 54 A N 0.245 122.878 122.820 -0.312 0.000 1.877 54 A HA -0.238 4.080 4.320 -0.003 0.000 0.216 54 A C 2.526 179.850 177.584 -0.433 0.000 1.186 54 A CA 2.209 54.058 52.037 -0.313 0.000 0.620 54 A CB -0.794 18.025 19.000 -0.302 0.000 0.822 54 A HN 0.533 8.683 8.150 0.000 0.000 0.443 55 S N 0.028 115.266 115.700 -0.770 0.000 2.402 55 S HA -0.122 4.347 4.470 -0.003 0.000 0.229 55 S C 1.533 175.982 174.600 -0.252 0.000 1.021 55 S CA 1.165 59.011 58.200 -0.590 0.000 0.974 55 S CB -0.599 62.143 63.200 -0.763 0.000 0.800 55 S HN 0.576 8.886 8.310 0.000 0.000 0.484 56 N N 1.865 120.411 118.700 -0.256 0.000 2.550 56 N HA -0.025 4.713 4.740 -0.003 0.000 0.186 56 N C 1.625 177.076 175.510 -0.099 0.000 1.110 56 N CA 1.426 54.386 53.050 -0.151 0.000 0.912 56 N CB -0.412 37.987 38.487 -0.146 0.000 0.968 56 N HN 0.835 9.215 8.380 0.000 0.000 0.448 57 T N -1.604 112.890 114.554 -0.099 0.000 3.007 57 T HA 0.049 4.397 4.350 -0.003 0.000 0.270 57 T C 1.517 176.200 174.700 -0.029 0.000 1.107 57 T CA 0.560 62.624 62.100 -0.061 0.000 1.118 57 T CB 0.138 68.974 68.868 -0.054 0.000 0.889 57 T HN -0.026 8.214 8.240 0.000 0.000 0.506 58 R N 1.344 121.834 120.500 -0.018 0.000 2.334 58 R HA 0.496 4.834 4.340 -0.003 0.000 0.216 58 R C 1.337 177.631 176.300 -0.010 0.000 0.905 58 R CA 0.537 56.638 56.100 0.002 0.000 1.064 58 R CB -0.037 30.285 30.300 0.038 0.000 1.046 58 R HN 0.634 8.904 8.270 0.000 0.000 0.508 59 G N 1.599 110.384 108.800 -0.024 0.000 2.371 59 G HA2 -0.116 3.842 3.960 -0.003 0.000 0.663 59 G HA3 -0.116 3.842 3.960 -0.003 0.000 0.663 59 G C -2.943 171.942 174.900 -0.025 0.000 1.311 59 G CA -1.197 43.891 45.100 -0.021 0.000 0.985 59 G HN -0.110 8.180 8.290 0.000 0.000 0.566 60 P HA 0.462 4.882 4.420 0.000 0.000 0.264 60 P C -0.100 177.207 177.300 0.012 0.000 1.193 60 P CA 1.058 64.154 63.100 -0.006 0.000 0.763 60 P CB 1.262 32.968 31.700 0.010 0.000 0.810 61 A N 2.974 125.794 122.820 -0.000 0.000 2.606 61 A HA 0.607 4.925 4.320 -0.003 0.000 0.293 61 A C -1.482 176.120 177.584 0.031 0.000 1.082 61 A CA -0.707 51.349 52.037 0.032 0.000 0.685 61 A CB 2.001 20.993 19.000 -0.014 0.000 1.284 61 A HN 0.410 8.560 8.150 0.000 0.000 0.408 62 V N 1.141 121.117 119.914 0.103 0.000 2.588 62 V HA 0.731 4.850 4.120 -0.003 0.000 0.304 62 V C 0.460 176.644 176.094 0.150 0.000 1.042 62 V CA 0.008 62.365 62.300 0.095 0.000 0.877 62 V CB 1.327 33.204 31.823 0.090 0.000 0.996 62 V HN 2.010 10.200 8.190 0.000 0.000 0.425 63 A N 6.133 129.051 122.820 0.164 0.000 2.511 63 A HA 0.486 4.804 4.320 -0.003 0.000 0.242 63 A C 0.496 178.225 177.584 0.241 0.000 1.069 63 A CA 0.222 52.446 52.037 0.312 0.000 0.763 63 A CB 0.316 19.584 19.000 0.446 0.000 1.001 63 A HN 1.002 9.152 8.150 0.000 0.000 0.498 64 L N 1.365 122.738 121.223 0.249 0.000 2.488 64 L HA 0.260 4.598 4.340 -0.003 0.000 0.186 64 L C 1.052 177.992 176.870 0.116 0.000 1.124 64 L CA 0.667 55.605 54.840 0.164 0.000 0.838 64 L CB 0.025 42.187 42.059 0.172 0.000 1.107 64 L HN 0.657 8.887 8.230 0.000 0.000 0.494 65 S N -1.012 114.744 115.700 0.094 0.000 2.571 65 S HA 0.582 5.050 4.470 -0.003 0.000 0.284 65 S C -1.184 173.360 174.600 -0.093 0.000 1.128 65 S CA -0.663 57.544 58.200 0.012 0.000 0.970 65 S CB 1.313 64.511 63.200 -0.003 0.000 1.039 65 S HN 0.205 8.515 8.310 0.000 0.000 0.485 66 C N 3.595 122.803 119.300 -0.154 0.000 2.712 66 C HA 0.758 5.217 4.460 -0.003 0.000 0.308 66 C C -0.228 174.552 174.990 -0.349 0.000 1.201 66 C CA -0.920 57.840 59.018 -0.430 0.000 1.554 66 C CB 1.512 29.001 27.740 -0.418 0.000 2.117 66 C HN 0.983 9.213 8.230 0.000 0.000 0.480 67 R N 1.906 122.091 120.500 -0.526 0.000 2.670 67 R HA 0.797 5.136 4.340 -0.003 0.000 0.289 67 R C -1.417 174.660 176.300 -0.371 0.000 0.965 67 R CA -0.543 55.364 56.100 -0.321 0.000 0.899 67 R CB 1.494 31.651 30.300 -0.239 0.000 1.173 67 R HN 0.760 9.030 8.270 0.000 0.000 0.456 68 M N 3.470 122.943 119.600 -0.213 0.000 2.142 68 M HA 0.363 4.841 4.480 -0.003 0.000 0.299 68 M C -1.919 174.129 176.300 -0.420 0.000 0.960 68 M CA -0.282 54.852 55.300 -0.276 0.000 0.920 68 M CB 1.806 34.330 32.600 -0.126 0.000 1.541 68 M HN 0.472 8.762 8.290 0.000 0.000 0.429 69 D N 4.589 124.689 120.400 -0.499 0.000 2.303 69 D HA 0.263 4.901 4.640 -0.003 0.000 0.236 69 D C -1.404 174.353 176.300 -0.905 0.000 1.068 69 D CA 0.161 53.855 54.000 -0.511 0.000 0.830 69 D CB 0.928 41.539 40.800 -0.315 0.000 1.109 69 D HN 0.512 8.882 8.370 0.000 0.000 0.496 70 Y N 1.596 121.648 120.300 -0.413 0.000 2.326 70 Y HA 0.183 4.732 4.550 -0.002 0.000 0.337 70 Y C 0.760 176.503 175.900 -0.261 0.000 1.023 70 Y CA -0.646 57.241 58.100 -0.355 0.000 1.143 70 Y CB 0.683 39.078 38.460 -0.108 0.000 1.183 70 Y HN 0.302 8.582 8.280 0.000 0.000 0.485 71 F N 0.405 120.461 119.950 0.177 0.000 2.592 71 F HA 0.364 4.891 4.527 -0.001 0.000 0.280 71 F C 0.408 176.267 175.800 0.097 0.000 1.083 71 F CA -0.456 57.609 58.000 0.109 0.000 1.365 71 F CB 0.226 39.268 39.000 0.069 0.000 1.100 71 F HN 0.184 8.484 8.300 0.000 0.000 0.633 72 R N 0.425 121.091 120.500 0.278 0.000 2.651 72 R HA 0.432 4.770 4.340 -0.003 0.000 0.278 72 R C -2.762 173.623 176.300 0.142 0.000 1.010 72 R CA -1.803 54.405 56.100 0.180 0.000 0.896 72 R CB 1.843 32.241 30.300 0.163 0.000 1.211 72 R HN -0.185 8.085 8.270 0.000 0.000 0.456 73 P HA 0.352 4.772 4.420 0.000 0.000 0.279 73 P C -0.971 176.381 177.300 0.087 0.000 1.252 73 P CA -0.427 62.720 63.100 0.079 0.000 0.811 73 P CB 1.265 32.991 31.700 0.043 0.000 1.035 74 L N 0.292 121.570 121.223 0.092 0.000 2.388 74 L HA 0.669 5.007 4.340 -0.003 0.000 0.264 74 L C 0.736 177.653 176.870 0.078 0.000 0.998 74 L CA -0.773 54.123 54.840 0.093 0.000 0.817 74 L CB 2.351 44.484 42.059 0.124 0.000 1.338 74 L HN 0.506 8.736 8.230 0.000 0.000 0.414 75 G N 0.367 109.205 108.800 0.063 0.000 2.552 75 G HA2 0.657 4.615 3.960 -0.003 0.000 0.324 75 G HA3 0.657 4.615 3.960 -0.003 0.000 0.324 75 G C -0.548 174.376 174.900 0.040 0.000 1.217 75 G CA -0.522 44.606 45.100 0.047 0.000 0.989 75 G HN 0.746 9.036 8.290 0.000 0.000 0.490 76 A N -1.248 121.584 122.820 0.020 0.000 2.540 76 A HA 0.504 4.822 4.320 -0.003 0.000 0.239 76 A C 1.574 179.164 177.584 0.010 0.000 1.061 76 A CA 1.420 53.458 52.037 0.001 0.000 0.758 76 A CB -0.339 18.650 19.000 -0.018 0.000 0.991 76 A HN 2.580 10.730 8.150 0.000 0.000 0.502 77 G N 0.581 109.388 108.800 0.012 0.000 2.213 77 G HA2 0.160 4.118 3.960 -0.003 0.000 0.236 77 G HA3 0.160 4.118 3.960 -0.003 0.000 0.236 77 G C 0.619 175.543 174.900 0.040 0.000 0.991 77 G CA 0.373 45.485 45.100 0.020 0.000 0.629 77 G HN 2.250 10.540 8.290 0.000 0.000 0.517 78 A N 1.067 123.921 122.820 0.056 0.000 2.488 78 A HA 0.611 4.929 4.320 -0.003 0.000 0.249 78 A C 0.747 178.384 177.584 0.088 0.000 1.083 78 A CA 0.131 52.210 52.037 0.071 0.000 0.768 78 A CB 0.250 19.302 19.000 0.086 0.000 1.017 78 A HN 0.335 8.485 8.150 0.000 0.000 0.496 79 R N 1.546 122.090 120.500 0.073 0.000 2.265 79 R HA 0.413 4.752 4.340 -0.003 0.000 0.314 79 R C -0.639 175.707 176.300 0.078 0.000 1.053 79 R CA -0.258 55.886 56.100 0.073 0.000 0.931 79 R CB 1.005 31.336 30.300 0.051 0.000 1.024 79 R HN 0.498 8.768 8.270 0.000 0.000 0.457 80 V N 2.438 122.404 119.914 0.088 0.000 2.823 80 V HA 0.464 4.583 4.120 -0.003 0.000 0.312 80 V C -0.744 175.365 176.094 0.026 0.000 1.072 80 V CA -0.618 61.723 62.300 0.068 0.000 0.937 80 V CB 2.448 34.330 31.823 0.098 0.000 1.013 80 V HN 0.757 8.947 8.190 0.000 0.000 0.430 81 E N 3.089 123.293 120.200 0.006 0.000 2.293 81 E HA 0.757 5.105 4.350 -0.003 0.000 0.270 81 E C -1.204 175.372 176.600 -0.040 0.000 0.879 81 E CA -0.832 55.559 56.400 -0.016 0.000 0.756 81 E CB 2.241 31.941 29.700 -0.001 0.000 1.208 81 E HN 0.924 9.284 8.360 0.000 0.000 0.428 82 A N 3.229 126.007 122.820 -0.070 0.000 2.291 82 A HA 0.530 4.848 4.320 -0.003 0.000 0.311 82 A C -0.639 176.908 177.584 -0.062 0.000 1.224 82 A CA -0.640 51.338 52.037 -0.098 0.000 0.821 82 A CB 0.486 19.376 19.000 -0.182 0.000 1.172 82 A HN 0.553 8.703 8.150 0.000 0.000 0.494 83 R N 2.072 122.555 120.500 -0.028 0.000 2.275 83 R HA 0.562 4.901 4.340 -0.003 0.000 0.326 83 R C -0.236 176.082 176.300 0.030 0.000 0.973 83 R CA -0.166 55.939 56.100 0.009 0.000 0.854 83 R CB 1.805 32.118 30.300 0.022 0.000 1.156 83 R HN 0.731 9.001 8.270 0.000 0.000 0.487 84 A N 2.961 125.806 122.820 0.041 0.000 2.290 84 A HA 0.615 4.934 4.320 -0.003 0.000 0.310 84 A C -0.025 177.659 177.584 0.168 0.000 1.202 84 A CA -0.644 51.455 52.037 0.103 0.000 0.837 84 A CB 0.914 19.952 19.000 0.064 0.000 1.139 84 A HN 0.531 8.681 8.150 0.000 0.000 0.509 85 V N 0.257 120.303 119.914 0.221 0.000 2.789 85 V HA 0.613 4.732 4.120 -0.003 0.000 0.311 85 V C -0.362 175.861 176.094 0.215 0.000 1.073 85 V CA -0.854 61.565 62.300 0.198 0.000 0.921 85 V CB 1.552 33.441 31.823 0.109 0.000 1.009 85 V HN 0.940 9.130 8.190 0.000 0.000 0.426 86 E N 1.652 121.925 120.200 0.121 0.000 2.290 86 E HA 0.384 4.732 4.350 -0.003 0.000 0.277 86 E C 0.691 177.183 176.600 -0.180 0.000 1.035 86 E CA 0.060 56.321 56.400 -0.231 0.000 0.873 86 E CB 1.773 31.375 29.700 -0.163 0.000 1.029 86 E HN 0.911 9.271 8.360 0.000 0.000 0.419 87 V N 1.226 120.993 119.914 -0.244 0.000 3.431 87 V HA 0.323 4.442 4.120 -0.003 0.000 0.253 87 V C 0.284 176.298 176.094 -0.134 0.000 1.184 87 V CA 0.114 62.338 62.300 -0.127 0.000 1.104 87 V CB -0.003 31.774 31.823 -0.076 0.000 0.799 87 V HN 0.554 8.745 8.190 0.000 0.000 0.462 88 N N -0.462 118.115 118.700 -0.204 0.000 2.446 88 N HA 0.605 5.344 4.740 -0.003 0.000 0.272 88 N C -1.912 173.496 175.510 -0.170 0.000 1.127 88 N CA -0.414 52.549 53.050 -0.145 0.000 0.896 88 N CB 2.363 40.791 38.487 -0.098 0.000 1.658 88 N HN 0.265 8.645 8.380 0.000 0.000 0.483 89 L N 2.372 123.530 121.223 -0.108 0.000 2.439 89 L HA 0.797 5.136 4.340 -0.003 0.000 0.270 89 L C -0.958 175.876 176.870 -0.061 0.000 0.972 89 L CA -0.156 54.635 54.840 -0.083 0.000 0.836 89 L CB 1.510 43.531 42.059 -0.063 0.000 1.255 89 L HN 0.738 8.968 8.230 0.000 0.000 0.404 90 S N 3.320 118.982 115.700 -0.063 0.000 2.745 90 S HA 0.625 5.093 4.470 -0.003 0.000 0.306 90 S C 0.882 175.434 174.600 -0.079 0.000 1.137 90 S CA -0.700 57.461 58.200 -0.064 0.000 0.900 90 S CB 1.766 64.926 63.200 -0.067 0.000 1.176 90 S HN 0.637 8.947 8.310 0.000 0.000 0.520 91 R N 0.237 120.690 120.500 -0.080 0.000 2.091 91 R HA 0.092 4.431 4.340 -0.003 0.000 0.238 91 R C 1.791 177.999 176.300 -0.153 0.000 1.136 91 R CA 1.756 57.803 56.100 -0.089 0.000 0.959 91 R CB -0.166 30.094 30.300 -0.068 0.000 0.856 91 R HN 0.683 8.953 8.270 0.000 0.000 0.437 92 R N -1.027 119.334 120.500 -0.232 0.000 2.508 92 R HA 0.152 4.490 4.340 -0.003 0.000 0.300 92 R C -0.307 175.647 176.300 -0.577 0.000 0.970 92 R CA 0.444 56.250 56.100 -0.489 0.000 1.102 92 R CB 1.361 31.312 30.300 -0.583 0.000 1.246 92 R HN 0.205 8.475 8.270 0.000 0.000 0.539 93 T N -2.640 111.751 114.554 -0.271 0.000 2.816 93 T HA 0.831 5.180 4.350 -0.003 0.000 0.299 93 T C -1.283 173.387 174.700 -0.050 0.000 1.230 93 T CA -0.866 61.146 62.100 -0.147 0.000 1.007 93 T CB 2.529 71.350 68.868 -0.078 0.000 1.289 93 T HN 0.021 8.261 8.240 0.000 0.000 0.508 94 A N 0.830 123.672 122.820 0.037 0.000 2.566 94 A HA 0.756 5.074 4.320 -0.003 0.000 0.297 94 A C -0.607 177.031 177.584 0.090 0.000 1.059 94 A CA -0.831 51.227 52.037 0.034 0.000 0.691 94 A CB 1.611 20.711 19.000 0.167 0.000 1.282 94 A HN 0.984 9.134 8.150 0.000 0.000 0.401 95 T N 1.564 116.028 114.554 -0.149 0.000 2.861 95 T HA 0.698 5.046 4.350 -0.003 0.000 0.287 95 T C -1.497 173.007 174.700 -0.327 0.000 1.003 95 T CA -0.043 62.034 62.100 -0.037 0.000 0.977 95 T CB 0.746 69.595 68.868 -0.031 0.000 0.996 95 T HN 0.422 8.662 8.240 0.000 0.000 0.448 96 Y N 0.911 121.339 120.300 0.212 0.000 2.499 96 Y HA 0.641 5.189 4.550 -0.003 0.000 0.347 96 Y C 0.278 176.274 175.900 0.161 0.000 0.987 96 Y CA -1.322 56.907 58.100 0.215 0.000 1.044 96 Y CB 1.696 40.383 38.460 0.378 0.000 1.245 96 Y HN 0.464 8.744 8.280 0.000 0.000 0.461 97 R N 1.699 122.349 120.500 0.250 0.000 2.338 97 R HA 0.802 5.140 4.340 -0.003 0.000 0.317 97 R C -2.163 174.262 176.300 0.209 0.000 0.968 97 R CA -0.561 55.649 56.100 0.184 0.000 0.849 97 R CB 0.994 31.355 30.300 0.103 0.000 1.128 97 R HN 0.573 8.843 8.270 0.000 0.000 0.448 98 V N 4.494 124.537 119.914 0.216 0.000 2.443 98 V HA 0.270 4.388 4.120 -0.003 0.000 0.293 98 V C -0.532 175.603 176.094 0.069 0.000 1.021 98 V CA -0.802 61.558 62.300 0.100 0.000 0.848 98 V CB 1.565 33.338 31.823 -0.082 0.000 0.998 98 V HN 0.841 9.031 8.190 0.000 0.000 0.424 99 E N 3.352 123.582 120.200 0.049 0.000 2.200 99 E HA 0.483 4.831 4.350 -0.003 0.000 0.283 99 E C -1.029 175.581 176.600 0.016 0.000 1.015 99 E CA -0.553 55.879 56.400 0.054 0.000 0.819 99 E CB 2.368 32.108 29.700 0.067 0.000 1.081 99 E HN 0.438 8.798 8.360 0.000 0.000 0.397 100 V N 4.344 124.266 119.914 0.015 0.000 2.350 100 V HA 0.243 4.361 4.120 -0.003 0.000 0.276 100 V C 0.079 176.198 176.094 0.042 0.000 1.028 100 V CA -0.620 61.677 62.300 -0.005 0.000 0.860 100 V CB 0.967 32.771 31.823 -0.033 0.000 0.990 100 V HN 0.485 8.675 8.190 0.000 0.000 0.453 101 V N 2.138 122.075 119.914 0.037 0.000 2.914 101 V HA 0.965 5.084 4.120 -0.003 0.000 0.314 101 V C -0.422 175.703 176.094 0.053 0.000 1.084 101 V CA -0.522 61.811 62.300 0.055 0.000 0.963 101 V CB 2.206 34.057 31.823 0.047 0.000 1.025 101 V HN 0.744 8.934 8.190 0.000 0.000 0.432 102 S N 1.855 117.593 115.700 0.063 0.000 2.668 102 S HA 0.499 4.967 4.470 -0.003 0.000 0.277 102 S C -0.432 174.200 174.600 0.054 0.000 1.170 102 S CA -0.284 57.953 58.200 0.061 0.000 0.994 102 S CB 1.086 64.333 63.200 0.078 0.000 1.051 102 S HN 1.157 9.467 8.310 0.000 0.000 0.484 103 E N 2.598 122.824 120.200 0.044 0.000 2.228 103 E HA -0.225 4.123 4.350 -0.003 0.000 0.213 103 E C 0.932 177.552 176.600 0.034 0.000 1.282 103 E CA 1.458 57.880 56.400 0.036 0.000 0.707 103 E CB -1.826 27.896 29.700 0.037 0.000 1.150 103 E HN 1.648 10.008 8.360 0.000 0.000 0.362 104 G N -0.583 108.236 108.800 0.033 0.000 2.184 104 G HA2 -0.371 3.587 3.960 -0.003 0.000 0.264 104 G HA3 -0.371 3.587 3.960 -0.003 0.000 0.264 104 G C 0.194 175.115 174.900 0.036 0.000 0.975 104 G CA 0.941 46.059 45.100 0.029 0.000 0.642 104 G HN 0.354 8.644 8.290 0.000 0.000 0.536 105 K N -0.450 119.980 120.400 0.049 0.000 2.207 105 K HA 0.651 4.970 4.320 -0.003 0.000 0.255 105 K C -0.564 176.088 176.600 0.088 0.000 0.941 105 K CA -1.180 55.145 56.287 0.062 0.000 0.825 105 K CB 2.353 34.894 32.500 0.069 0.000 1.119 105 K HN 0.077 8.327 8.250 0.000 0.000 0.430 106 L N 4.039 125.326 121.223 0.107 0.000 2.342 106 L HA 0.062 4.401 4.340 -0.003 0.000 0.285 106 L C 0.479 177.515 176.870 0.276 0.000 1.095 106 L CA 0.358 55.302 54.840 0.173 0.000 0.843 106 L CB 0.781 42.941 42.059 0.169 0.000 1.201 106 L HN 0.595 8.825 8.230 0.000 0.000 0.445 107 V N 4.692 124.733 119.914 0.212 0.000 2.649 107 V HA 0.346 4.464 4.120 -0.003 0.000 0.248 107 V C 0.938 177.107 176.094 0.125 0.000 1.054 107 V CA 1.097 63.515 62.300 0.197 0.000 1.073 107 V CB -0.559 31.346 31.823 0.137 0.000 0.699 107 V HN 0.904 9.094 8.190 0.000 0.000 0.463 108 A N -0.557 122.273 122.820 0.016 0.000 2.608 108 A HA 0.722 5.041 4.320 -0.003 0.000 0.292 108 A C -2.063 175.394 177.584 -0.210 0.000 1.066 108 A CA -0.417 51.400 52.037 -0.366 0.000 0.676 108 A CB 1.644 20.451 19.000 -0.322 0.000 1.277 108 A HN 0.101 8.251 8.150 0.000 0.000 0.413 109 L N 0.918 121.924 121.223 -0.362 0.000 2.381 109 L HA 0.868 5.206 4.340 -0.003 0.000 0.274 109 L C -1.480 175.342 176.870 -0.079 0.000 0.988 109 L CA -0.494 54.311 54.840 -0.059 0.000 0.824 109 L CB 1.324 43.458 42.059 0.125 0.000 1.263 109 L HN 0.767 8.997 8.230 0.000 0.000 0.410 110 F N 3.651 123.499 119.950 -0.171 0.000 2.495 110 F HA 0.810 5.334 4.527 -0.004 0.000 0.327 110 F C -0.658 175.048 175.800 -0.156 0.000 1.103 110 F CA -0.120 57.757 58.000 -0.205 0.000 0.949 110 F CB 2.046 40.888 39.000 -0.264 0.000 1.142 110 F HN 0.523 8.823 8.300 0.000 0.000 0.457 111 T N 4.143 118.365 114.554 -0.553 0.000 2.879 111 T HA 0.722 5.071 4.350 -0.003 0.000 0.290 111 T C -0.479 173.787 174.700 -0.724 0.000 0.993 111 T CA -0.755 61.128 62.100 -0.361 0.000 0.975 111 T CB 1.317 70.056 68.868 -0.214 0.000 0.981 111 T HN 0.964 9.204 8.240 0.000 0.000 0.439 112 G N 1.290 109.820 108.800 -0.451 0.000 2.667 112 G HA2 0.657 4.615 3.960 -0.003 0.000 0.298 112 G HA3 0.657 4.615 3.960 -0.003 0.000 0.298 112 G C -1.165 173.752 174.900 0.028 0.000 1.377 112 G CA -0.582 44.175 45.100 -0.572 0.000 0.964 112 G HN 0.615 8.905 8.290 0.000 0.000 0.493 113 T N 0.265 114.910 114.554 0.152 0.000 2.876 113 T HA 0.682 5.030 4.350 -0.003 0.000 0.289 113 T C 0.066 175.028 174.700 0.436 0.000 1.014 113 T CA -0.450 61.838 62.100 0.315 0.000 0.986 113 T CB 1.641 70.597 68.868 0.147 0.000 1.021 113 T HN 1.151 9.391 8.240 0.000 0.000 0.458 114 V N 0.418 120.573 119.914 0.402 0.000 3.046 114 V HA 0.850 4.969 4.120 -0.003 0.000 0.316 114 V C -1.100 175.132 176.094 0.229 0.000 1.104 114 V CA -1.263 61.221 62.300 0.305 0.000 1.006 114 V CB 1.801 33.730 31.823 0.177 0.000 1.058 114 V HN 0.750 8.940 8.190 0.000 0.000 0.440 115 F N 2.315 122.320 119.950 0.093 0.000 2.411 115 F HA 0.665 5.191 4.527 -0.002 0.000 0.352 115 F C 0.566 176.392 175.800 0.044 0.000 1.123 115 F CA -0.786 57.252 58.000 0.062 0.000 1.044 115 F CB 1.294 40.324 39.000 0.049 0.000 1.135 115 F HN 0.551 8.851 8.300 0.000 0.000 0.461 116 R N 7.243 127.574 120.500 -0.283 0.000 2.248 116 R HA 0.394 4.732 4.340 -0.003 0.000 0.328 116 R C -0.435 175.870 176.300 0.008 0.000 1.067 116 R CA -0.451 55.587 56.100 -0.103 0.000 0.924 116 R CB 0.665 30.877 30.300 -0.146 0.000 1.013 116 R HN 0.679 8.949 8.270 0.000 0.000 0.454 117 L N 0.000 121.315 121.223 0.153 0.000 2.949 117 L HA 0.000 4.338 4.340 -0.003 0.000 0.249 117 L CA 0.000 54.954 54.840 0.190 0.000 0.813 117 L CB 0.000 42.145 42.059 0.144 0.000 0.961 117 L HN 0.000 8.230 8.230 0.000 0.000 0.502