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 2k6y_1_A DATA FIRST_RESID 1 DATA SEQUENCE GSFTEGWVRF SPGPNAAAYL TLENPGDLPL RLVGARTPVA ERVELHETFM DATA SEQUENCE REVEGKKVMG MRPVPFLEVP PKGRVELKPG GYHFMLLGLK RPLKAGEEVE DATA SEQUENCE LDLLFAGGKV LKVVLPVEAR 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 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.920 3.960 -0.066 0.000 0.244 1 G C 0.000 174.775 174.900 -0.209 0.000 0.946 1 G CA 0.000 45.048 45.100 -0.086 0.000 0.502 2 S N 0.458 115.953 115.700 -0.341 0.000 2.707 2 S HA 0.231 4.444 4.470 -0.428 0.000 0.224 2 S C -1.133 173.074 174.600 -0.656 0.000 0.931 2 S CA 0.915 58.703 58.200 -0.687 0.000 1.243 2 S CB 1.693 64.148 63.200 -1.242 0.000 0.949 2 S HN 0.529 8.977 8.310 -0.268 -0.299 0.384 3 F N -1.082 118.895 119.950 0.045 0.000 2.922 3 F HA 0.418 4.971 4.527 0.043 0.000 0.345 3 F C -1.198 174.643 175.800 0.067 0.000 1.209 3 F CA -1.937 56.092 58.000 0.049 0.000 1.018 3 F CB 1.380 40.405 39.000 0.042 0.000 1.472 3 F HN 0.224 8.705 8.300 -0.397 -0.420 0.521 4 T N -0.509 114.218 114.554 0.288 0.000 2.840 4 T HA -0.142 4.478 4.350 0.184 -0.160 0.276 4 T C -0.430 174.401 174.700 0.218 0.000 0.912 4 T CA 0.292 62.516 62.100 0.208 0.000 1.116 4 T CB -0.930 68.039 68.868 0.169 0.000 0.895 4 T HN -0.084 8.344 8.240 0.314 0.000 0.570 5 E N 6.682 127.007 120.200 0.208 0.000 2.185 5 E HA 0.229 4.709 4.350 0.216 0.000 0.261 5 E C -1.568 175.202 176.600 0.282 0.000 0.879 5 E CA -0.729 55.802 56.400 0.218 0.000 0.756 5 E CB 3.142 32.942 29.700 0.167 0.000 1.152 5 E HN -0.394 8.078 8.360 0.188 0.000 0.416 6 G N 3.180 112.180 108.800 0.334 0.000 2.687 6 G HA2 0.676 5.010 3.960 0.623 0.000 0.291 6 G HA3 0.676 4.919 3.960 0.340 -0.079 0.291 6 G C -2.754 172.493 174.900 0.578 0.000 1.420 6 G CA -0.283 45.095 45.100 0.463 0.000 0.796 6 G HN -0.021 8.439 8.290 0.284 0.000 0.485 7 W N -4.288 117.141 121.300 0.214 0.000 3.059 7 W HA 0.357 5.182 4.660 0.143 -0.079 0.329 7 W C -3.093 173.574 176.519 0.247 0.000 1.246 7 W CA -1.115 56.349 57.345 0.199 0.000 1.190 7 W CB 2.031 31.592 29.460 0.168 0.000 1.423 7 W HN 0.182 8.598 8.180 0.392 0.000 0.571 8 V N 0.640 120.708 119.914 0.257 0.000 2.448 8 V HA 0.336 4.498 4.120 -0.110 -0.107 0.295 8 V C -1.517 174.720 176.094 0.237 0.000 1.025 8 V CA -1.461 60.891 62.300 0.087 0.000 0.859 8 V CB 3.323 35.188 31.823 0.070 0.000 0.988 8 V HN 0.865 9.282 8.190 0.378 0.000 0.431 9 R N 8.021 128.636 120.500 0.191 0.000 2.202 9 R HA 0.440 5.191 4.340 0.409 -0.165 0.334 9 R C -0.628 175.853 176.300 0.302 0.000 1.036 9 R CA -1.683 54.617 56.100 0.334 0.000 0.878 9 R CB 1.481 32.026 30.300 0.408 0.000 1.067 9 R HN 0.498 8.758 8.270 -0.017 0.000 0.457 10 F N 7.868 127.874 119.950 0.095 0.000 2.266 10 F HA 0.174 4.719 4.527 0.031 0.000 0.287 10 F C -1.975 173.847 175.800 0.037 0.000 1.255 10 F CA -1.067 56.963 58.000 0.051 0.000 1.201 10 F CB 0.539 39.571 39.000 0.054 0.000 1.450 10 F HN 0.372 8.986 8.300 0.525 0.000 0.510 11 S N -4.490 110.794 115.700 -0.693 0.000 2.627 11 S HA 0.211 3.928 4.470 -1.255 0.000 0.268 11 S C -1.925 172.195 174.600 -0.800 0.000 1.130 11 S CA -1.213 56.458 58.200 -0.882 0.000 0.819 11 S CB 2.472 65.482 63.200 -0.318 0.000 1.100 11 S HN -0.124 7.823 8.310 -0.605 0.000 0.465 12 P HA 0.058 4.303 4.420 -0.292 0.000 0.237 12 P C -0.136 177.053 177.300 -0.184 0.000 1.178 12 P CA -0.064 62.856 63.100 -0.300 0.000 0.766 12 P CB 0.542 32.126 31.700 -0.194 0.000 0.876 13 G N 1.007 109.701 108.800 -0.178 0.000 2.555 13 G HA2 -0.132 3.814 3.960 -0.107 0.000 0.686 13 G HA3 -0.132 3.774 3.960 -0.091 0.000 0.686 13 G C -1.713 173.137 174.900 -0.084 0.000 1.275 13 G CA -0.572 44.462 45.100 -0.111 0.000 0.871 13 G HN -0.558 7.525 8.290 -0.228 0.070 0.603 14 P HA 0.023 4.410 4.420 -0.054 0.000 0.241 14 P C -1.592 175.674 177.300 -0.056 0.000 1.191 14 P CA 0.279 63.347 63.100 -0.053 0.000 0.771 14 P CB 0.728 32.406 31.700 -0.036 0.000 0.929 15 N N -2.804 115.858 118.700 -0.064 0.000 2.469 15 N HA 0.416 5.256 4.740 -0.059 -0.136 0.286 15 N C -1.658 173.809 175.510 -0.073 0.000 1.275 15 N CA -1.832 51.181 53.050 -0.061 0.000 0.790 15 N CB 2.714 41.173 38.487 -0.047 0.000 1.446 15 N HN -0.605 7.670 8.380 -0.069 0.064 0.501 16 A N -3.767 119.013 122.820 -0.067 0.000 2.483 16 A HA 0.207 4.501 4.320 -0.042 0.000 0.306 16 A C -3.290 174.244 177.584 -0.083 0.000 1.137 16 A CA -0.321 51.681 52.037 -0.058 0.000 0.626 16 A CB 2.137 21.108 19.000 -0.048 0.000 1.352 16 A HN 0.413 8.521 8.150 -0.070 0.000 0.508 17 A N -3.272 119.479 122.820 -0.114 0.000 2.539 17 A HA 1.068 5.440 4.320 -0.221 -0.185 0.296 17 A C -2.540 174.763 177.584 -0.468 0.000 1.073 17 A CA -1.616 50.252 52.037 -0.281 0.000 0.700 17 A CB 3.825 22.637 19.000 -0.314 0.000 1.296 17 A HN -0.084 8.028 8.150 -0.063 0.000 0.405 18 A N 0.023 122.452 122.820 -0.652 0.000 2.515 18 A HA 0.942 4.983 4.320 -0.687 -0.133 0.298 18 A C -2.566 174.583 177.584 -0.725 0.000 1.059 18 A CA -0.948 50.728 52.037 -0.602 0.000 0.698 18 A CB 3.396 22.309 19.000 -0.145 0.000 1.289 18 A HN 0.178 8.013 8.150 -0.525 0.000 0.404 19 Y N -1.556 118.579 120.300 -0.274 0.000 2.588 19 Y HA 0.288 4.719 4.550 -0.199 0.000 0.343 19 Y C -1.741 174.103 175.900 -0.093 0.000 1.065 19 Y CA -1.071 56.827 58.100 -0.338 0.000 1.038 19 Y CB 4.308 42.192 38.460 -0.961 0.000 1.297 19 Y HN 0.682 8.741 8.280 -0.368 0.000 0.467 20 L N -6.953 114.382 121.223 0.185 0.000 2.794 20 L HA 0.682 5.354 4.340 0.296 -0.154 0.261 20 L C -1.588 175.400 176.870 0.196 0.000 0.989 20 L CA -0.692 54.286 54.840 0.230 0.000 0.900 20 L CB 3.800 45.996 42.059 0.228 0.000 1.473 20 L HN -0.004 8.317 8.230 0.153 0.000 0.414 21 T N 3.143 117.815 114.554 0.198 0.000 2.832 21 T HA 0.240 4.783 4.350 0.131 -0.114 0.296 21 T C -1.344 173.446 174.700 0.150 0.000 0.968 21 T CA 1.379 63.569 62.100 0.151 0.000 1.107 21 T CB 0.582 69.528 68.868 0.131 0.000 0.916 21 T HN 0.445 8.699 8.240 0.226 0.122 0.517 22 L N 5.302 126.603 121.223 0.130 0.000 2.472 22 L HA 0.455 4.890 4.340 0.159 0.000 0.260 22 L C -2.800 174.141 176.870 0.119 0.000 0.963 22 L CA -0.680 54.248 54.840 0.146 0.000 0.829 22 L CB 4.169 46.331 42.059 0.171 0.000 1.348 22 L HN 0.852 9.148 8.230 0.109 0.000 0.408 23 E N 1.200 121.468 120.200 0.114 0.000 2.390 23 E HA 0.293 4.784 4.350 0.071 -0.099 0.280 23 E C -2.386 174.244 176.600 0.049 0.000 0.992 23 E CA -1.542 54.905 56.400 0.078 0.000 0.790 23 E CB 3.436 33.181 29.700 0.075 0.000 1.248 23 E HN 0.035 8.473 8.360 0.129 0.000 0.447 24 N N 1.014 119.730 118.700 0.027 0.000 2.483 24 N HA 0.427 5.145 4.740 -0.037 0.000 0.267 24 N C -1.667 173.839 175.510 -0.007 0.000 0.998 24 N CA -3.548 49.497 53.050 -0.008 0.000 0.918 24 N CB 1.221 39.703 38.487 -0.007 0.000 1.215 24 N HN 0.478 8.878 8.380 0.033 0.000 0.500 25 P HA 0.098 4.518 4.420 0.000 0.000 0.245 25 P C -0.008 177.281 177.300 -0.019 0.000 1.206 25 P CA 0.003 63.096 63.100 -0.011 0.000 0.781 25 P CB 0.701 32.394 31.700 -0.011 0.000 0.994 26 G N 0.429 109.209 108.800 -0.033 0.000 2.562 26 G HA2 -0.034 3.908 3.960 -0.030 0.000 0.275 26 G HA3 -0.034 3.898 3.960 -0.047 0.000 0.275 26 G C -1.565 173.321 174.900 -0.023 0.000 1.196 26 G CA -0.885 44.195 45.100 -0.034 0.000 0.908 26 G HN -0.277 8.244 8.290 -0.043 -0.257 0.524 27 D N -1.816 118.572 120.400 -0.021 0.000 2.339 27 D HA -0.019 4.614 4.640 -0.011 0.000 0.217 27 D C -0.721 175.569 176.300 -0.016 0.000 1.050 27 D CA 1.484 55.475 54.000 -0.015 0.000 0.856 27 D CB 0.111 40.904 40.800 -0.013 0.000 0.922 27 D HN 0.252 8.608 8.370 -0.024 0.000 0.518 28 L N -5.696 115.513 121.223 -0.022 0.000 2.303 28 L HA 0.590 4.920 4.340 -0.017 0.000 0.266 28 L C -2.589 174.266 176.870 -0.025 0.000 1.011 28 L CA -3.714 51.113 54.840 -0.022 0.000 0.818 28 L CB 1.298 43.342 42.059 -0.025 0.000 1.326 28 L HN -0.962 7.187 8.230 -0.028 0.065 0.435 29 P HA 0.116 4.592 4.420 -0.009 -0.061 0.276 29 P C -1.273 176.018 177.300 -0.015 0.000 1.244 29 P CA -0.718 62.374 63.100 -0.014 0.000 0.801 29 P CB 1.155 32.848 31.700 -0.011 0.000 1.006 30 L N -0.173 121.056 121.223 0.010 0.000 2.360 30 L HA 0.316 4.673 4.340 0.029 0.000 0.271 30 L C -0.763 176.185 176.870 0.130 0.000 1.057 30 L CA -0.922 53.958 54.840 0.066 0.000 0.803 30 L CB 1.983 44.088 42.059 0.077 0.000 1.207 30 L HN 0.645 8.888 8.230 0.022 0.000 0.445 31 R N 2.106 122.733 120.500 0.211 0.000 2.468 31 R HA 0.256 4.744 4.340 0.041 -0.123 0.302 31 R C -2.001 174.379 176.300 0.134 0.000 1.041 31 R CA -0.958 55.187 56.100 0.076 0.000 0.899 31 R CB 1.858 32.058 30.300 -0.166 0.000 1.167 31 R HN 0.324 8.798 8.270 0.339 0.000 0.483 32 L N 7.785 129.002 121.223 -0.010 0.000 2.261 32 L HA 0.494 4.357 4.340 -1.021 -0.136 0.289 32 L C -1.468 175.324 176.870 -0.129 0.000 1.059 32 L CA -0.697 53.907 54.840 -0.392 0.000 0.816 32 L CB 1.390 43.263 42.059 -0.310 0.000 1.191 32 L HN 0.757 8.909 8.230 0.055 0.111 0.431 33 V N 2.255 122.086 119.914 -0.139 0.000 3.661 33 V HA 0.500 4.700 4.120 0.134 0.000 0.271 33 V C -0.260 175.861 176.094 0.045 0.000 1.315 33 V CA -1.459 60.856 62.300 0.026 0.000 1.072 33 V CB 1.393 33.234 31.823 0.030 0.000 0.830 33 V HN 0.909 8.798 8.190 -0.309 0.116 0.443 34 G N -2.472 106.338 108.800 0.015 0.000 2.348 34 G HA2 0.062 4.195 3.960 0.289 0.000 0.296 34 G HA3 0.062 4.039 3.960 0.028 0.000 0.296 34 G C -2.814 172.061 174.900 -0.041 0.000 1.258 34 G CA 0.210 45.369 45.100 0.098 0.000 0.868 34 G HN -0.692 7.535 8.290 -0.105 0.000 0.488 35 A N -1.990 120.633 122.820 -0.327 0.000 2.533 35 A HA 0.848 5.141 4.320 -0.325 -0.168 0.293 35 A C -2.208 175.165 177.584 -0.351 0.000 1.228 35 A CA -0.964 50.760 52.037 -0.523 0.000 0.689 35 A CB 3.874 22.152 19.000 -1.204 0.000 1.303 35 A HN 0.107 8.117 8.150 -0.233 0.000 0.444 36 R N -1.712 118.616 120.500 -0.286 0.000 2.561 36 R HA 0.258 4.499 4.340 -0.165 0.000 0.266 36 R C -2.278 173.931 176.300 -0.151 0.000 1.091 36 R CA -0.140 55.856 56.100 -0.173 0.000 0.927 36 R CB 3.355 33.591 30.300 -0.107 0.000 1.240 36 R HN -0.003 8.094 8.270 -0.288 0.000 0.449 37 T N 4.725 119.207 114.554 -0.119 0.000 2.889 37 T HA 0.702 5.158 4.350 -0.081 -0.155 0.315 37 T C -0.991 173.674 174.700 -0.060 0.000 1.291 37 T CA -3.417 58.626 62.100 -0.094 0.000 1.028 37 T CB 2.374 71.170 68.868 -0.121 0.000 1.235 37 T HN 0.494 8.668 8.240 -0.111 0.000 0.491 38 P HA 0.243 4.648 4.420 -0.025 0.000 0.240 38 P C -0.541 176.748 177.300 -0.019 0.000 1.190 38 P CA 1.356 64.442 63.100 -0.023 0.000 0.781 38 P CB 0.297 31.990 31.700 -0.011 0.000 0.931 39 V N -4.503 115.398 119.914 -0.022 0.000 3.649 39 V HA 0.178 4.295 4.120 -0.005 0.000 0.275 39 V C -1.812 174.265 176.094 -0.028 0.000 1.281 39 V CA -1.069 61.224 62.300 -0.013 0.000 1.143 39 V CB 0.583 32.411 31.823 0.009 0.000 0.892 39 V HN -0.339 7.782 8.190 -0.031 0.050 0.441 40 A N -2.209 120.585 122.820 -0.043 0.000 2.587 40 A HA 0.374 4.830 4.320 -0.042 -0.162 0.293 40 A C -1.999 175.556 177.584 -0.049 0.000 1.087 40 A CA -0.836 51.171 52.037 -0.050 0.000 0.692 40 A CB 3.222 22.183 19.000 -0.065 0.000 1.291 40 A HN -1.080 6.989 8.150 -0.047 0.053 0.407 41 E N 0.777 120.952 120.200 -0.042 0.000 2.083 41 E HA 0.061 4.389 4.350 -0.035 0.000 0.193 41 E C 0.422 177.000 176.600 -0.038 0.000 0.950 41 E CA 0.410 56.788 56.400 -0.036 0.000 0.849 41 E CB 1.480 31.164 29.700 -0.027 0.000 0.827 41 E HN 0.071 8.407 8.360 -0.040 0.000 0.465 42 R N 0.353 120.832 120.500 -0.034 0.000 2.340 42 R HA 0.131 4.456 4.340 -0.025 0.000 0.300 42 R C -1.755 174.518 176.300 -0.045 0.000 1.069 42 R CA 0.299 56.381 56.100 -0.029 0.000 0.984 42 R CB 1.101 31.392 30.300 -0.015 0.000 1.003 42 R HN 0.026 8.276 8.270 -0.033 0.000 0.459 43 V N 5.096 124.983 119.914 -0.045 0.000 2.851 43 V HA 0.837 5.126 4.120 -0.062 -0.206 0.307 43 V C -1.541 174.551 176.094 -0.002 0.000 1.129 43 V CA -1.774 60.489 62.300 -0.062 0.000 0.932 43 V CB 2.818 34.553 31.823 -0.146 0.000 1.024 43 V HN 0.398 8.569 8.190 -0.032 0.000 0.426 44 E N 6.314 126.551 120.200 0.062 0.000 2.321 44 E HA 0.370 4.806 4.350 0.143 0.000 0.278 44 E C -2.218 174.533 176.600 0.252 0.000 0.902 44 E CA -1.610 54.883 56.400 0.155 0.000 0.758 44 E CB 4.822 34.639 29.700 0.196 0.000 1.213 44 E HN 0.323 8.701 8.360 0.030 0.000 0.426 45 L N 5.019 126.397 121.223 0.259 0.000 2.319 45 L HA 0.282 4.724 4.340 -0.112 -0.170 0.280 45 L C -1.197 175.725 176.870 0.087 0.000 1.099 45 L CA -0.170 54.709 54.840 0.065 0.000 0.828 45 L CB 0.972 43.042 42.059 0.018 0.000 1.150 45 L HN 0.720 9.082 8.230 0.220 0.000 0.442 46 H N 5.333 124.176 119.070 -0.379 0.000 2.670 46 H HA 0.654 5.191 4.556 -0.210 -0.107 0.361 46 H C -0.876 174.208 175.328 -0.406 0.000 1.169 46 H CA -1.621 54.182 56.048 -0.407 0.000 1.198 46 H CB 4.114 33.530 29.762 -0.577 0.000 1.700 46 H HN 1.112 9.169 8.280 -0.371 0.000 0.542 47 E N -0.209 119.878 120.200 -0.189 0.000 2.267 47 E HA 0.210 4.084 4.350 -0.794 0.000 0.258 47 E C -1.321 175.195 176.600 -0.140 0.000 1.074 47 E CA -0.943 55.203 56.400 -0.423 0.000 0.915 47 E CB 1.853 31.277 29.700 -0.460 0.000 1.186 47 E HN 0.913 9.197 8.360 -0.127 0.000 0.439 48 T N 0.794 115.198 114.554 -0.250 0.000 2.848 48 T HA 0.795 5.143 4.350 -0.298 -0.177 0.285 48 T C -0.535 174.034 174.700 -0.218 0.000 0.995 48 T CA -0.454 61.503 62.100 -0.238 0.000 0.970 48 T CB 1.359 70.107 68.868 -0.199 0.000 0.976 48 T HN 0.083 8.020 8.240 -0.506 0.000 0.441 49 F N 3.453 123.344 119.950 -0.098 0.000 2.541 49 F HA 0.567 5.040 4.527 -0.090 0.000 0.331 49 F C -2.227 173.546 175.800 -0.046 0.000 1.057 49 F CA -2.437 55.516 58.000 -0.078 0.000 0.975 49 F CB 2.134 41.091 39.000 -0.071 0.000 1.246 49 F HN 0.819 8.487 8.300 -1.053 0.000 0.484 50 M N -1.378 118.366 119.600 0.240 0.000 2.404 50 M HA 0.624 5.393 4.480 0.223 -0.155 0.338 50 M C -0.888 175.566 176.300 0.257 0.000 1.150 50 M CA -0.558 54.875 55.300 0.222 0.000 1.016 50 M CB 3.573 36.231 32.600 0.096 0.000 1.672 50 M HN 0.007 8.441 8.290 0.241 0.000 0.448 51 R N 1.067 121.699 120.500 0.220 0.000 2.561 51 R HA 0.296 4.653 4.340 0.029 0.000 0.266 51 R C -2.275 174.059 176.300 0.056 0.000 1.091 51 R CA -0.608 55.538 56.100 0.077 0.000 0.927 51 R CB 4.467 34.720 30.300 -0.079 0.000 1.240 51 R HN 0.881 9.290 8.270 0.231 0.000 0.449 52 E N 4.966 125.176 120.200 0.015 0.000 2.313 52 E HA 0.649 5.235 4.350 0.026 -0.221 0.272 52 E C -0.411 176.189 176.600 -0.000 0.000 1.038 52 E CA 0.290 56.697 56.400 0.013 0.000 0.863 52 E CB 0.964 30.668 29.700 0.006 0.000 1.060 52 E HN 0.315 8.675 8.360 -0.001 0.000 0.402 53 V N 3.602 123.520 119.914 0.006 0.000 4.775 53 V HA 0.031 4.146 4.120 -0.009 0.000 0.152 53 V C 1.330 177.424 176.094 0.001 0.000 1.073 53 V CA 0.976 63.276 62.300 0.001 0.000 1.342 53 V CB 1.180 33.010 31.823 0.011 0.000 1.910 53 V HN 0.197 8.395 8.190 0.013 0.000 0.522 54 E N 2.706 122.909 120.200 0.005 0.000 2.322 54 E HA -0.163 4.188 4.350 0.002 0.000 0.195 54 E C 0.389 176.991 176.600 0.004 0.000 1.198 54 E CA -0.283 56.119 56.400 0.004 0.000 1.132 54 E CB -1.316 28.387 29.700 0.006 0.000 1.213 54 E HN 0.327 8.693 8.360 0.010 0.000 0.450 55 G N -0.985 107.817 108.800 0.003 0.000 2.302 55 G HA2 -0.451 3.511 3.960 0.003 0.000 0.263 55 G HA3 -0.451 3.512 3.960 0.004 0.000 0.263 55 G C -0.818 174.087 174.900 0.008 0.000 0.995 55 G CA 0.747 45.850 45.100 0.004 0.000 0.622 55 G HN -0.311 7.872 8.290 0.001 0.108 0.538 56 K N 1.040 121.447 120.400 0.011 0.000 2.185 56 K HA 0.025 4.352 4.320 0.013 0.000 0.271 56 K C -0.602 176.011 176.600 0.022 0.000 1.013 56 K CA -0.640 55.656 56.287 0.014 0.000 0.943 56 K CB 0.717 33.225 32.500 0.013 0.000 0.998 56 K HN -0.208 7.902 8.250 0.010 0.146 0.468 57 K N 3.234 123.649 120.400 0.025 0.000 2.349 57 K HA 0.086 4.722 4.320 0.044 -0.290 0.288 57 K C -0.508 176.120 176.600 0.047 0.000 1.058 57 K CA 0.344 56.654 56.287 0.038 0.000 0.953 57 K CB 0.149 32.668 32.500 0.033 0.000 0.997 57 K HN 0.125 8.387 8.250 0.020 0.000 0.477 58 V N 6.620 126.580 119.914 0.076 0.000 2.667 58 V HA 0.331 4.485 4.120 0.057 0.000 0.308 58 V C -1.713 174.466 176.094 0.142 0.000 1.048 58 V CA -0.950 61.406 62.300 0.094 0.000 0.928 58 V CB 2.595 34.483 31.823 0.109 0.000 1.004 58 V HN 0.773 8.903 8.190 0.088 0.112 0.444 59 M N 3.474 123.102 119.600 0.047 0.000 2.457 59 M HA 0.691 5.251 4.480 -0.124 -0.154 0.300 59 M C -0.966 175.120 176.300 -0.356 0.000 1.141 59 M CA -0.735 54.484 55.300 -0.135 0.000 0.901 59 M CB 4.026 36.551 32.600 -0.125 0.000 1.687 59 M HN 0.115 8.418 8.290 0.022 0.000 0.449 60 G N 0.345 108.541 108.800 -1.006 0.000 2.488 60 G HA2 0.282 3.977 3.960 -0.442 0.000 0.301 60 G HA3 0.282 3.917 3.960 -0.541 0.000 0.301 60 G C -3.593 170.629 174.900 -1.130 0.000 1.339 60 G CA 0.320 44.912 45.100 -0.847 0.000 0.803 60 G HN -0.176 7.135 8.290 -1.631 0.000 0.482 61 M N -1.162 118.210 119.600 -0.380 0.000 2.598 61 M HA 0.923 5.504 4.480 -0.108 -0.165 0.317 61 M C -0.307 176.105 176.300 0.187 0.000 1.201 61 M CA -1.390 53.886 55.300 -0.040 0.000 0.971 61 M CB 3.746 36.452 32.600 0.178 0.000 1.657 61 M HN 0.110 8.286 8.290 -0.190 0.000 0.470 62 R N -3.187 117.393 120.500 0.133 0.000 2.709 62 R HA 0.575 4.814 4.340 -0.169 0.000 0.270 62 R C -3.059 172.859 176.300 -0.636 0.000 1.038 62 R CA -2.393 53.623 56.100 -0.140 0.000 0.872 62 R CB 0.743 31.056 30.300 0.022 0.000 1.259 62 R HN 0.326 8.666 8.270 0.117 0.000 0.473 63 P HA 0.115 4.201 4.420 -0.788 -0.139 0.271 63 P C -0.894 176.232 177.300 -0.291 0.000 1.218 63 P CA -0.450 62.201 63.100 -0.748 0.000 0.780 63 P CB 0.398 31.814 31.700 -0.473 0.000 0.901 64 V N -1.475 118.341 119.914 -0.163 0.000 2.881 64 V HA 0.445 4.471 4.120 -0.158 0.000 0.316 64 V C -0.751 175.267 176.094 -0.128 0.000 1.070 64 V CA -4.302 57.918 62.300 -0.134 0.000 0.976 64 V CB 0.732 32.512 31.823 -0.072 0.000 1.038 64 V HN 0.199 8.321 8.190 -0.113 0.000 0.446 65 P HA -0.007 4.397 4.420 -0.026 0.000 0.226 65 P C -1.553 175.767 177.300 0.032 0.000 1.153 65 P CA 1.052 64.071 63.100 -0.134 0.000 0.777 65 P CB 0.432 32.003 31.700 -0.215 0.000 0.794 66 F N -8.474 111.479 119.950 0.004 0.000 3.032 66 F HA 0.209 4.800 4.527 -0.018 -0.075 0.331 66 F C -2.969 172.813 175.800 -0.031 0.000 1.125 66 F CA -1.432 56.560 58.000 -0.014 0.000 0.873 66 F CB 1.058 40.048 39.000 -0.015 0.000 1.374 66 F HN -0.960 7.087 8.300 -0.356 0.039 0.452 67 L N -0.793 120.584 121.223 0.257 0.000 2.271 67 L HA 0.628 5.015 4.340 0.077 0.000 0.265 67 L C -1.450 175.548 176.870 0.214 0.000 1.013 67 L CA -1.431 53.486 54.840 0.128 0.000 0.820 67 L CB 4.540 46.546 42.059 -0.088 0.000 1.352 67 L HN 0.780 9.057 8.230 0.258 0.108 0.443 68 E N -0.583 119.681 120.200 0.107 0.000 2.423 68 E HA 0.300 4.787 4.350 0.096 -0.080 0.280 68 E C -2.121 174.507 176.600 0.047 0.000 1.030 68 E CA -1.168 55.281 56.400 0.081 0.000 0.812 68 E CB 3.739 33.469 29.700 0.051 0.000 1.313 68 E HN 0.007 8.372 8.360 0.009 0.000 0.456 69 V N -2.063 117.885 119.914 0.057 0.000 2.668 69 V HA 0.488 4.624 4.120 0.027 0.000 0.304 69 V C -2.526 173.586 176.094 0.030 0.000 1.071 69 V CA -3.109 59.218 62.300 0.045 0.000 0.894 69 V CB 3.824 35.690 31.823 0.072 0.000 1.008 69 V HN 0.798 8.923 8.190 0.065 0.104 0.425 70 P HA 0.282 4.707 4.420 0.008 0.000 0.272 70 P C -2.091 175.214 177.300 0.008 0.000 1.240 70 P CA -1.839 61.268 63.100 0.011 0.000 0.791 70 P CB -0.511 31.195 31.700 0.011 0.000 0.978 71 P HA -0.271 4.198 4.420 -0.008 -0.054 0.265 71 P C -0.599 176.702 177.300 0.002 0.000 1.193 71 P CA 0.893 63.991 63.100 -0.003 0.000 0.765 71 P CB -0.068 31.627 31.700 -0.007 0.000 0.823 72 K N -5.227 115.174 120.400 0.002 0.000 3.529 72 K HA -0.385 4.038 4.320 0.009 -0.098 0.313 72 K C -0.138 176.472 176.600 0.016 0.000 1.316 72 K CA 1.196 57.488 56.287 0.008 0.000 0.988 72 K CB -2.835 29.669 32.500 0.008 0.000 1.252 72 K HN 0.034 8.282 8.250 -0.003 0.000 0.438 73 G N -0.491 108.319 108.800 0.017 0.000 2.543 73 G HA2 0.046 4.019 3.960 0.021 0.000 0.290 73 G HA3 0.046 4.072 3.960 0.020 -0.054 0.290 73 G C -2.406 172.513 174.900 0.031 0.000 1.310 73 G CA -1.349 43.764 45.100 0.022 0.000 1.025 73 G HN -0.475 7.717 8.290 0.013 0.106 0.502 74 R N -0.648 119.872 120.500 0.032 0.000 2.629 74 R HA 0.689 5.207 4.340 0.052 -0.146 0.266 74 R C -1.452 174.869 176.300 0.033 0.000 1.051 74 R CA -0.632 55.492 56.100 0.041 0.000 0.895 74 R CB 3.563 33.887 30.300 0.041 0.000 1.246 74 R HN -0.045 8.240 8.270 0.026 0.000 0.459 75 V N -0.830 119.108 119.914 0.040 0.000 3.181 75 V HA 0.626 4.760 4.120 0.023 0.000 0.308 75 V C -2.373 173.753 176.094 0.053 0.000 1.214 75 V CA -2.753 59.563 62.300 0.028 0.000 1.053 75 V CB 4.177 35.994 31.823 -0.010 0.000 1.069 75 V HN 1.120 9.344 8.190 0.057 0.000 0.441 76 E N -0.725 119.512 120.200 0.062 0.000 2.246 76 E HA 0.425 4.963 4.350 0.101 -0.128 0.266 76 E C -0.222 176.448 176.600 0.118 0.000 0.880 76 E CA -2.078 54.379 56.400 0.094 0.000 0.762 76 E CB 1.458 31.217 29.700 0.099 0.000 1.180 76 E HN 0.050 8.443 8.360 0.056 0.000 0.416 77 L N 5.739 127.032 121.223 0.118 0.000 2.376 77 L HA 0.047 4.538 4.340 0.191 -0.036 0.250 77 L C -0.132 176.845 176.870 0.179 0.000 1.335 77 L CA -0.305 54.617 54.840 0.136 0.000 1.214 77 L CB -1.932 40.135 42.059 0.014 0.000 1.395 77 L HN 0.746 9.043 8.230 0.112 0.000 0.424 78 K N 0.929 121.431 120.400 0.171 0.000 2.382 78 K HA 0.095 4.479 4.320 0.107 0.000 0.275 78 K C -1.111 175.539 176.600 0.084 0.000 1.009 78 K CA -1.721 54.636 56.287 0.117 0.000 0.970 78 K CB -0.252 32.311 32.500 0.105 0.000 0.934 78 K HN -0.457 7.852 8.250 0.192 0.056 0.479 79 P HA -0.105 4.321 4.420 0.009 0.000 0.218 79 P C 0.800 178.051 177.300 -0.082 0.000 1.149 79 P CA 1.238 64.286 63.100 -0.087 0.000 0.817 79 P CB 0.189 31.753 31.700 -0.228 0.000 0.785 80 G N -0.741 108.029 108.800 -0.050 0.000 3.455 80 G HA2 -0.030 3.876 3.960 -0.091 0.000 0.250 80 G HA3 -0.030 3.905 3.960 -0.042 0.000 0.250 80 G C -0.952 173.922 174.900 -0.043 0.000 1.071 80 G CA -1.083 43.983 45.100 -0.057 0.000 1.812 80 G HN 0.023 8.296 8.290 -0.028 0.000 0.643 81 G N -0.957 107.816 108.800 -0.046 0.000 2.566 81 G HA2 0.033 4.026 3.960 -0.230 0.000 0.138 81 G HA3 0.033 3.995 3.960 0.005 0.000 0.138 81 G C -2.012 172.845 174.900 -0.070 0.000 1.133 81 G CA -0.083 44.957 45.100 -0.100 0.000 1.037 81 G HN -0.698 7.477 8.290 -0.042 0.089 0.491 82 Y N 2.537 122.902 120.300 0.109 0.000 2.411 82 Y HA 0.519 5.292 4.550 0.006 -0.219 0.333 82 Y C 0.373 176.305 175.900 0.054 0.000 1.186 82 Y CA 1.431 59.551 58.100 0.033 0.000 1.381 82 Y CB 0.972 39.399 38.460 -0.055 0.000 1.273 82 Y HN 0.212 8.665 8.280 0.287 0.000 0.546 83 H N -4.521 114.475 119.070 -0.123 0.000 2.904 83 H HA 0.210 4.545 4.556 -0.369 0.000 0.290 83 H C -2.765 172.249 175.328 -0.523 0.000 1.437 83 H CA -1.022 54.844 56.048 -0.304 0.000 1.147 83 H CB 1.768 31.448 29.762 -0.136 0.000 1.824 83 H HN 0.821 8.886 8.280 -0.359 0.000 0.505 84 F N -1.586 118.225 119.950 -0.232 0.000 2.420 84 F HA 0.707 5.262 4.527 -0.293 -0.204 0.342 84 F C -0.057 175.574 175.800 -0.283 0.000 1.113 84 F CA -1.595 56.236 58.000 -0.283 0.000 1.059 84 F CB 1.510 40.372 39.000 -0.230 0.000 1.128 84 F HN 0.334 8.461 8.300 -0.288 0.000 0.475 85 M N 2.042 121.493 119.600 -0.249 0.000 2.277 85 M HA 0.389 4.891 4.480 -0.168 -0.123 0.350 85 M C -1.362 174.847 176.300 -0.151 0.000 1.180 85 M CA -1.205 53.925 55.300 -0.284 0.000 1.103 85 M CB 1.402 33.588 32.600 -0.690 0.000 1.577 85 M HN 0.676 8.787 8.290 -0.299 0.000 0.459 86 L N 0.981 122.135 121.223 -0.115 0.000 2.362 86 L HA 0.823 5.273 4.340 -0.083 -0.159 0.271 86 L C -1.275 175.553 176.870 -0.070 0.000 1.002 86 L CA -1.271 53.517 54.840 -0.087 0.000 0.818 86 L CB 2.850 44.857 42.059 -0.086 0.000 1.298 86 L HN 0.456 8.616 8.230 -0.117 0.000 0.420 87 L N -0.181 121.009 121.223 -0.055 0.000 2.472 87 L HA 0.536 5.015 4.340 -0.044 -0.165 0.260 87 L C -0.932 175.916 176.870 -0.037 0.000 0.963 87 L CA -1.017 53.798 54.840 -0.041 0.000 0.829 87 L CB 5.255 47.298 42.059 -0.027 0.000 1.348 87 L HN 0.837 8.937 8.230 -0.055 0.097 0.408 88 G N 1.933 110.713 108.800 -0.035 0.000 2.462 88 G HA2 -0.371 3.571 3.960 -0.030 0.000 0.283 88 G HA3 -0.371 3.573 3.960 -0.027 0.000 0.283 88 G C -1.117 173.761 174.900 -0.035 0.000 1.043 88 G CA 0.133 45.215 45.100 -0.031 0.000 1.300 88 G HN 0.513 8.781 8.290 -0.037 0.000 0.518 89 L N 1.947 123.146 121.223 -0.041 0.000 2.433 89 L HA -0.137 4.335 4.340 -0.040 -0.156 0.284 89 L C 0.693 177.545 176.870 -0.030 0.000 1.120 89 L CA -0.206 54.609 54.840 -0.041 0.000 0.879 89 L CB -0.974 41.052 42.059 -0.055 0.000 1.232 89 L HN -0.453 7.750 8.230 -0.045 0.000 0.454 90 K N 2.147 122.533 120.400 -0.025 0.000 2.525 90 K HA -0.088 4.222 4.320 -0.018 0.000 0.192 90 K C 0.126 176.719 176.600 -0.011 0.000 1.029 90 K CA 0.469 56.745 56.287 -0.018 0.000 1.029 90 K CB 0.174 32.663 32.500 -0.018 0.000 0.814 90 K HN 0.066 8.299 8.250 -0.028 0.000 0.503 91 R N -0.487 120.008 120.500 -0.008 0.000 2.686 91 R HA 0.422 4.764 4.340 0.004 0.000 0.286 91 R C -2.159 174.144 176.300 0.005 0.000 0.969 91 R CA -2.937 53.165 56.100 0.004 0.000 0.898 91 R CB 1.217 31.525 30.300 0.013 0.000 1.183 91 R HN -0.635 7.547 8.270 -0.012 0.080 0.456 92 P HA 0.090 4.508 4.420 -0.003 0.000 0.272 92 P C -1.224 176.113 177.300 0.062 0.000 1.223 92 P CA -0.566 62.546 63.100 0.021 0.000 0.784 92 P CB 0.585 32.298 31.700 0.022 0.000 0.923 93 L N 1.293 122.584 121.223 0.113 0.000 2.362 93 L HA 0.219 4.653 4.340 0.156 0.000 0.275 93 L C -0.569 176.482 176.870 0.301 0.000 0.998 93 L CA -0.948 54.026 54.840 0.223 0.000 0.820 93 L CB 1.872 44.125 42.059 0.324 0.000 1.270 93 L HN 0.198 8.477 8.230 0.081 0.000 0.415 94 K N 3.763 124.270 120.400 0.179 0.000 2.323 94 K HA 0.138 4.535 4.320 0.128 0.000 0.259 94 K C -1.227 175.384 176.600 0.019 0.000 0.947 94 K CA -1.647 54.701 56.287 0.103 0.000 0.819 94 K CB 2.197 34.738 32.500 0.068 0.000 1.109 94 K HN 0.249 8.581 8.250 0.136 0.000 0.429 95 A N 3.181 125.945 122.820 -0.094 0.000 2.507 95 A HA -0.228 3.974 4.320 -0.197 0.000 0.235 95 A C 0.734 178.279 177.584 -0.065 0.000 1.070 95 A CA 1.003 52.943 52.037 -0.161 0.000 0.768 95 A CB 0.028 18.882 19.000 -0.244 0.000 1.011 95 A HN 0.161 8.247 8.150 -0.107 0.000 0.502 96 G N 1.755 110.526 108.800 -0.048 0.000 2.246 96 G HA2 -0.453 3.502 3.960 -0.008 0.000 0.273 96 G HA3 -0.453 3.494 3.960 -0.023 0.000 0.273 96 G C -1.068 173.835 174.900 0.005 0.000 1.055 96 G CA 0.164 45.254 45.100 -0.016 0.000 0.851 96 G HN 0.227 8.480 8.290 -0.061 0.000 0.500 97 E N -2.721 117.490 120.200 0.019 0.000 2.518 97 E HA 0.342 4.707 4.350 0.027 0.000 0.241 97 E C -2.047 174.581 176.600 0.047 0.000 0.899 97 E CA -2.148 54.271 56.400 0.032 0.000 0.888 97 E CB 2.076 31.797 29.700 0.035 0.000 1.426 97 E HN -0.324 8.049 8.360 0.022 0.000 0.401 98 E N -2.552 117.678 120.200 0.049 0.000 2.336 98 E HA 0.424 4.919 4.350 0.076 -0.100 0.267 98 E C -0.784 175.849 176.600 0.055 0.000 0.906 98 E CA -1.408 55.029 56.400 0.060 0.000 0.781 98 E CB 3.556 33.289 29.700 0.055 0.000 1.261 98 E HN 0.107 8.492 8.360 0.042 0.000 0.436 99 V N 2.127 122.077 119.914 0.059 0.000 2.357 99 V HA 0.211 4.350 4.120 0.031 0.000 0.284 99 V C -0.981 175.131 176.094 0.030 0.000 1.018 99 V CA -1.651 60.672 62.300 0.039 0.000 0.841 99 V CB 1.225 33.070 31.823 0.036 0.000 0.991 99 V HN 0.927 9.048 8.190 0.075 0.114 0.437 100 E N 8.612 128.823 120.200 0.017 0.000 2.344 100 E HA 0.027 4.519 4.350 0.020 -0.130 0.270 100 E C -1.582 175.010 176.600 -0.013 0.000 1.021 100 E CA 0.209 56.615 56.400 0.010 0.000 0.887 100 E CB 0.844 30.549 29.700 0.008 0.000 0.997 100 E HN 0.431 8.801 8.360 0.015 0.000 0.429 101 L N 5.788 127.002 121.223 -0.015 0.000 2.505 101 L HA 0.498 4.988 4.340 -0.083 -0.200 0.266 101 L C -2.511 174.336 176.870 -0.037 0.000 0.954 101 L CA -0.875 53.932 54.840 -0.054 0.000 0.852 101 L CB 4.851 46.870 42.059 -0.067 0.000 1.282 101 L HN 0.691 8.924 8.230 0.004 0.000 0.403 102 D N 5.225 125.586 120.400 -0.064 0.000 2.473 102 D HA 0.357 5.007 4.640 0.016 0.000 0.226 102 D C -0.747 175.517 176.300 -0.060 0.000 1.089 102 D CA -0.876 53.106 54.000 -0.029 0.000 0.883 102 D CB 0.881 41.666 40.800 -0.025 0.000 1.029 102 D HN 0.652 8.852 8.370 -0.100 0.111 0.517 103 L N 3.562 124.790 121.223 0.009 0.000 2.433 103 L HA -0.094 4.161 4.340 -0.143 0.000 0.275 103 L C -0.572 176.274 176.870 -0.039 0.000 1.128 103 L CA 0.125 54.955 54.840 -0.018 0.000 0.875 103 L CB -0.532 41.628 42.059 0.168 0.000 1.171 103 L HN 0.342 8.617 8.230 0.074 0.000 0.463 104 L N 3.074 124.179 121.223 -0.196 0.000 2.305 104 L HA 0.137 4.497 4.340 0.033 0.000 0.281 104 L C -0.654 176.011 176.870 -0.342 0.000 1.085 104 L CA -0.151 54.614 54.840 -0.126 0.000 0.813 104 L CB 0.347 42.357 42.059 -0.082 0.000 1.157 104 L HN 0.420 8.395 8.230 -0.221 0.123 0.436 105 F N 1.657 121.623 119.950 0.026 0.000 2.579 105 F HA 0.672 5.381 4.527 0.022 -0.168 0.324 105 F C -0.095 175.701 175.800 -0.007 0.000 1.058 105 F CA -1.931 56.077 58.000 0.013 0.000 0.944 105 F CB 4.630 43.634 39.000 0.007 0.000 1.245 105 F HN 0.313 8.766 8.300 0.256 0.000 0.477 106 A N 1.746 124.654 122.820 0.146 0.000 2.522 106 A HA 0.017 4.352 4.320 0.026 0.000 0.256 106 A C -0.329 177.284 177.584 0.049 0.000 1.086 106 A CA 1.132 53.196 52.037 0.044 0.000 0.763 106 A CB -0.621 18.354 19.000 -0.042 0.000 1.024 106 A HN 0.601 8.849 8.150 0.165 0.000 0.502 107 G N 2.277 111.098 108.800 0.034 0.000 2.568 107 G HA2 -0.318 3.653 3.960 0.018 0.000 0.222 107 G HA3 -0.318 3.654 3.960 0.020 0.000 0.222 107 G C 0.363 175.288 174.900 0.042 0.000 1.321 107 G CA -0.801 44.316 45.100 0.028 0.000 0.893 107 G HN -0.005 8.303 8.290 0.031 0.000 0.569 108 G N 0.155 108.973 108.800 0.030 0.000 3.353 108 G HA2 -0.058 3.922 3.960 0.033 0.000 0.247 108 G HA3 -0.058 3.913 3.960 0.019 0.000 0.247 108 G C -1.224 173.698 174.900 0.038 0.000 1.025 108 G CA -0.002 45.116 45.100 0.030 0.000 1.863 108 G HN 0.095 8.396 8.290 0.019 0.000 0.635 109 K N 1.352 121.796 120.400 0.073 0.000 2.378 109 K HA 0.374 4.720 4.320 0.043 0.000 0.252 109 K C -1.980 174.731 176.600 0.185 0.000 0.931 109 K CA -0.792 55.549 56.287 0.090 0.000 0.794 109 K CB 3.160 35.697 32.500 0.062 0.000 1.181 109 K HN -0.437 7.799 8.250 0.097 0.072 0.425 110 V N 2.147 122.159 119.914 0.163 0.000 2.851 110 V HA 0.635 5.153 4.120 0.378 -0.171 0.307 110 V C -1.690 174.508 176.094 0.173 0.000 1.129 110 V CA -1.558 60.873 62.300 0.217 0.000 0.932 110 V CB 2.979 34.869 31.823 0.112 0.000 1.024 110 V HN 0.210 8.455 8.190 0.093 0.000 0.426 111 L N 8.605 129.978 121.223 0.250 0.000 2.319 111 L HA 0.391 4.781 4.340 0.083 0.000 0.281 111 L C -1.447 175.505 176.870 0.136 0.000 1.005 111 L CA -1.212 53.724 54.840 0.161 0.000 0.828 111 L CB 1.805 43.964 42.059 0.166 0.000 1.227 111 L HN 0.769 9.224 8.230 0.375 0.000 0.415 112 K N 6.689 127.136 120.400 0.079 0.000 2.322 112 K HA 0.154 4.739 4.320 0.051 -0.235 0.283 112 K C -0.632 176.006 176.600 0.062 0.000 1.042 112 K CA 0.223 56.544 56.287 0.057 0.000 0.958 112 K CB 0.739 33.261 32.500 0.036 0.000 0.984 112 K HN 0.405 8.692 8.250 0.062 0.000 0.473 113 V N 3.012 122.962 119.914 0.060 0.000 3.158 113 V HA 0.600 4.760 4.120 0.066 0.000 0.311 113 V C -2.651 173.476 176.094 0.054 0.000 1.181 113 V CA -2.537 59.804 62.300 0.068 0.000 1.054 113 V CB 3.803 35.683 31.823 0.096 0.000 1.085 113 V HN 1.005 9.112 8.190 0.047 0.111 0.446 114 V N 0.681 120.633 119.914 0.064 0.000 2.686 114 V HA 0.652 4.996 4.120 0.053 -0.193 0.306 114 V C -1.721 174.424 176.094 0.085 0.000 1.065 114 V CA -1.294 61.043 62.300 0.061 0.000 0.894 114 V CB 2.621 34.473 31.823 0.048 0.000 1.004 114 V HN -0.022 8.213 8.190 0.075 0.000 0.424 115 L N 7.126 128.407 121.223 0.097 0.000 2.445 115 L HA 0.605 5.032 4.340 0.145 0.000 0.262 115 L C -2.904 174.052 176.870 0.143 0.000 0.974 115 L CA -3.005 51.919 54.840 0.140 0.000 0.822 115 L CB 3.552 45.714 42.059 0.171 0.000 1.339 115 L HN 0.572 8.850 8.230 0.080 0.000 0.409 116 P HA 0.128 4.733 4.420 0.103 -0.123 0.274 116 P C -0.956 176.451 177.300 0.179 0.000 1.231 116 P CA -0.832 62.352 63.100 0.141 0.000 0.790 116 P CB 0.538 32.306 31.700 0.115 0.000 0.951 117 V N 1.668 121.658 119.914 0.126 0.000 2.387 117 V HA 0.111 4.515 4.120 0.175 -0.179 0.260 117 V C -0.341 175.804 176.094 0.085 0.000 1.054 117 V CA -0.388 61.986 62.300 0.124 0.000 0.967 117 V CB -1.199 30.674 31.823 0.085 0.000 1.036 117 V HN 0.821 8.955 8.190 0.090 0.109 0.481 118 E N 9.010 129.312 120.200 0.170 0.000 2.338 118 E HA 0.106 4.463 4.350 0.011 0.000 0.272 118 E C -2.228 174.344 176.600 -0.047 0.000 1.029 118 E CA -0.778 55.687 56.400 0.108 0.000 0.872 118 E CB 2.403 32.299 29.700 0.325 0.000 1.015 118 E HN 0.514 9.046 8.360 0.287 0.000 0.417 119 A N 4.209 126.852 122.820 -0.295 0.000 2.317 119 A HA 0.419 4.208 4.320 -0.885 0.000 0.327 119 A C -1.383 176.107 177.584 -0.155 0.000 1.178 119 A CA -0.647 50.971 52.037 -0.698 0.000 0.817 119 A CB 1.102 19.338 19.000 -1.273 0.000 1.189 119 A HN 0.342 8.370 8.150 -0.204 0.000 0.489 120 R N 0.000 120.591 120.500 0.152 0.000 2.786 120 R HA 0.000 4.438 4.340 0.163 0.000 0.208 120 R CA 0.000 56.236 56.100 0.226 0.000 0.921 120 R CB 0.000 30.412 30.300 0.186 0.000 0.687 120 R HN 0.000 8.532 8.270 0.437 0.000 0.535