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 1ib1_1_F DATA FIRST_RESID 18 DATA SEQUENCE SGIPGSPGRQ RRHXLPANEF RCLTPEDAAG VFEIEREAFI SVSGNCPLNL DATA SEQUENCE DEVQHFLTLC PELSLGWFVE GRLVAFIIGS LWDEERLTQE SLALHRPRGH DATA SEQUENCE SAHLHALAVH RSFRQQGKGS VLLWRYLHHV GAQPAVRRAV LMCEDALVPF DATA SEQUENCE YQRFGFHPAG PCAIVVGSLT FTEMHCSLR 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 18 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 18 S C 0.000 174.574 174.600 -0.043 0.000 1.055 18 S CA 0.000 58.173 58.200 -0.044 0.000 1.107 18 S CB 0.000 63.148 63.200 -0.086 0.000 0.593 19 G N 3.665 112.448 108.800 -0.029 0.000 2.255 19 G HA2 0.329 4.288 3.960 -0.001 0.000 0.267 19 G HA3 0.329 4.288 3.960 -0.001 0.000 0.267 19 G C 0.006 174.890 174.900 -0.027 0.000 1.177 19 G CA 0.127 45.212 45.100 -0.025 0.000 1.027 19 G HN 0.637 8.927 8.290 -0.000 0.000 0.437 20 I N 5.147 125.701 120.570 -0.026 0.000 2.503 20 I HA 0.185 4.355 4.170 -0.001 0.000 0.277 20 I C -2.119 173.987 176.117 -0.018 0.000 1.078 20 I CA -1.963 59.322 61.300 -0.025 0.000 1.184 20 I CB 1.379 39.362 38.000 -0.028 0.000 1.353 20 I HN 0.243 8.453 8.210 -0.000 0.000 0.490 21 P HA 0.098 4.518 4.420 -0.000 0.000 0.261 21 P C 1.040 178.334 177.300 -0.010 0.000 1.173 21 P CA 0.901 63.994 63.100 -0.011 0.000 0.760 21 P CB 0.626 32.320 31.700 -0.009 0.000 0.783 22 G N 2.020 110.814 108.800 -0.009 0.000 2.241 22 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.244 22 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.244 22 G C 0.358 175.252 174.900 -0.009 0.000 0.998 22 G CA 0.089 45.184 45.100 -0.008 0.000 0.621 22 G HN 0.576 8.866 8.290 -0.000 0.000 0.519 23 S N 1.627 117.320 115.700 -0.011 0.000 2.399 23 S HA 0.533 5.003 4.470 -0.001 0.000 0.215 23 S C -1.019 173.573 174.600 -0.013 0.000 1.456 23 S CA -0.429 57.764 58.200 -0.012 0.000 1.199 23 S CB 2.070 65.262 63.200 -0.014 0.000 1.063 23 S HN 0.139 8.449 8.310 -0.000 0.000 0.476 24 P HA -0.114 4.306 4.420 -0.000 0.000 0.215 24 P C 1.435 178.728 177.300 -0.010 0.000 1.163 24 P CA 1.131 64.226 63.100 -0.009 0.000 0.894 24 P CB 0.165 31.861 31.700 -0.007 0.000 0.791 25 G N -2.203 106.592 108.800 -0.010 0.000 3.088 25 G HA2 0.021 3.980 3.960 -0.001 0.000 0.217 25 G HA3 0.021 3.980 3.960 -0.001 0.000 0.217 25 G C 0.338 175.230 174.900 -0.013 0.000 1.159 25 G CA -0.121 44.973 45.100 -0.010 0.000 0.760 25 G HN 0.166 8.456 8.290 -0.000 0.000 0.550 26 R N 1.085 121.575 120.500 -0.017 0.000 2.410 26 R HA 0.384 4.724 4.340 -0.001 0.000 0.288 26 R C 0.349 176.629 176.300 -0.034 0.000 1.051 26 R CA -0.354 55.732 56.100 -0.024 0.000 1.021 26 R CB 0.666 30.952 30.300 -0.023 0.000 1.032 26 R HN 0.401 8.671 8.270 -0.000 0.000 0.481 27 Q N 2.293 122.066 119.800 -0.045 0.000 2.241 27 Q HA 0.361 4.700 4.340 -0.001 0.000 0.254 27 Q C -0.500 175.438 176.000 -0.102 0.000 0.917 27 Q CA -0.833 54.927 55.803 -0.071 0.000 0.919 27 Q CB 1.944 30.638 28.738 -0.073 0.000 1.237 27 Q HN 0.418 8.688 8.270 -0.000 0.000 0.434 28 R N 1.695 122.121 120.500 -0.124 0.000 2.543 28 R HA 0.109 4.448 4.340 -0.001 0.000 0.277 28 R C -0.365 175.796 176.300 -0.232 0.000 1.074 28 R CA -0.382 55.637 56.100 -0.135 0.000 1.076 28 R CB 0.631 30.868 30.300 -0.104 0.000 0.993 28 R HN 0.729 8.999 8.270 -0.000 0.000 0.459 29 R N 2.149 122.551 120.500 -0.163 0.000 2.784 29 R HA 0.092 4.432 4.340 -0.001 0.000 0.266 29 R C -0.035 176.151 176.300 -0.189 0.000 1.044 29 R CA 0.192 56.194 56.100 -0.163 0.000 1.151 29 R CB 0.125 30.392 30.300 -0.055 0.000 1.037 29 R HN 0.526 8.796 8.270 -0.000 0.000 0.478 33 P HA 0.657 5.077 4.420 -0.000 0.000 0.297 33 P C -1.083 176.226 177.300 0.015 0.000 1.303 33 P CA -0.585 62.518 63.100 0.005 0.000 0.753 33 P CB 1.320 33.006 31.700 -0.024 0.000 1.281 34 A N 0.359 123.185 122.820 0.010 0.000 2.876 34 A HA 0.488 4.807 4.320 -0.001 0.000 0.309 34 A C -0.914 176.677 177.584 0.010 0.000 1.168 34 A CA -0.575 51.476 52.037 0.024 0.000 0.762 34 A CB -0.769 18.248 19.000 0.028 0.000 1.262 34 A HN 0.613 8.763 8.150 -0.000 0.000 0.435 35 N N 1.252 119.962 118.700 0.016 0.000 3.107 35 N HA -0.133 4.607 4.740 -0.001 0.000 0.284 35 N C -0.453 174.939 175.510 -0.198 0.000 1.807 35 N CA 1.951 54.966 53.050 -0.059 0.000 1.776 35 N CB -0.245 38.235 38.487 -0.010 0.000 0.810 35 N HN 0.989 9.369 8.380 -0.000 0.000 0.519 36 E N 0.555 120.569 120.200 -0.310 0.000 2.437 36 E HA 0.645 4.994 4.350 -0.001 0.000 0.280 36 E C -1.444 174.926 176.600 -0.384 0.000 1.044 36 E CA -0.850 55.399 56.400 -0.253 0.000 0.826 36 E CB 1.140 30.780 29.700 -0.101 0.000 1.358 36 E HN 0.160 8.520 8.360 -0.000 0.000 0.459 37 F N 0.430 120.320 119.950 -0.099 0.000 2.467 37 F HA 0.562 5.088 4.527 -0.001 0.000 0.336 37 F C 0.159 175.977 175.800 0.031 0.000 1.123 37 F CA -0.475 57.521 58.000 -0.005 0.000 0.964 37 F CB 1.963 40.919 39.000 -0.074 0.000 1.136 37 F HN 0.275 8.575 8.300 -0.000 0.000 0.447 38 R N 1.499 122.177 120.500 0.298 0.000 2.774 38 R HA 0.606 4.946 4.340 -0.001 0.000 0.272 38 R C -1.627 174.795 176.300 0.202 0.000 1.000 38 R CA -0.932 55.254 56.100 0.143 0.000 0.906 38 R CB 1.592 31.831 30.300 -0.102 0.000 1.227 38 R HN 0.526 8.796 8.270 -0.000 0.000 0.468 39 C N 2.090 121.453 119.300 0.105 0.000 2.601 39 C HA 0.314 4.773 4.460 -0.001 0.000 0.409 39 C C 0.725 175.819 174.990 0.174 0.000 1.293 39 C CA -0.436 58.661 59.018 0.131 0.000 2.101 39 C CB -0.444 27.363 27.740 0.112 0.000 2.639 39 C HN 0.496 8.726 8.230 -0.000 0.000 0.592 40 L N 3.099 124.444 121.223 0.204 0.000 2.439 40 L HA 0.450 4.789 4.340 -0.001 0.000 0.261 40 L C 0.916 177.860 176.870 0.123 0.000 1.153 40 L CA 0.123 55.089 54.840 0.210 0.000 0.808 40 L CB 0.610 42.776 42.059 0.180 0.000 1.126 40 L HN 0.802 9.032 8.230 -0.000 0.000 0.460 41 T N -2.508 112.109 114.554 0.105 0.000 2.950 41 T HA 0.383 4.732 4.350 -0.001 0.000 0.288 41 T C -2.176 172.551 174.700 0.044 0.000 1.035 41 T CA -2.051 60.084 62.100 0.058 0.000 1.028 41 T CB 1.903 70.793 68.868 0.037 0.000 1.109 41 T HN 0.260 8.500 8.240 -0.000 0.000 0.514 42 P HA -0.063 4.357 4.420 -0.000 0.000 0.218 42 P C 0.930 178.237 177.300 0.011 0.000 1.146 42 P CA 0.951 64.058 63.100 0.012 0.000 0.813 42 P CB 0.034 31.737 31.700 0.006 0.000 0.778 43 E N -0.861 119.350 120.200 0.019 0.000 2.274 43 E HA -0.112 4.237 4.350 -0.001 0.000 0.194 43 E C 1.274 177.893 176.600 0.032 0.000 0.996 43 E CA 0.814 57.226 56.400 0.020 0.000 0.840 43 E CB -0.833 28.879 29.700 0.019 0.000 0.772 43 E HN 0.328 8.688 8.360 -0.000 0.000 0.491 44 D N -0.078 120.351 120.400 0.047 0.000 2.349 44 D HA 0.061 4.701 4.640 -0.001 0.000 0.224 44 D C 1.458 177.757 176.300 -0.001 0.000 1.029 44 D CA 0.515 54.549 54.000 0.056 0.000 0.879 44 D CB 0.297 41.168 40.800 0.117 0.000 0.906 44 D HN 0.170 8.540 8.370 -0.000 0.000 0.528 45 A N 1.307 124.121 122.820 -0.010 0.000 1.902 45 A HA -0.081 4.239 4.320 -0.001 0.000 0.217 45 A C 2.369 179.947 177.584 -0.009 0.000 1.181 45 A CA 1.724 53.740 52.037 -0.034 0.000 0.623 45 A CB -0.406 18.575 19.000 -0.032 0.000 0.818 45 A HN 0.243 8.393 8.150 -0.000 0.000 0.443 46 A N -0.479 122.349 122.820 0.013 0.000 1.902 46 A HA 0.100 4.420 4.320 -0.001 0.000 0.217 46 A C 2.376 180.005 177.584 0.074 0.000 1.181 46 A CA 1.903 53.973 52.037 0.055 0.000 0.623 46 A CB -1.327 17.698 19.000 0.041 0.000 0.818 46 A HN 0.759 8.909 8.150 -0.000 0.000 0.443 47 G N -0.858 107.960 108.800 0.030 0.000 2.443 47 G HA2 -0.006 3.953 3.960 -0.001 0.000 0.219 47 G HA3 -0.006 3.953 3.960 -0.001 0.000 0.219 47 G C 1.421 176.301 174.900 -0.032 0.000 1.131 47 G CA 1.139 46.251 45.100 0.019 0.000 0.775 47 G HN 0.318 8.608 8.290 -0.000 0.000 0.547 48 V N 0.209 120.045 119.914 -0.130 0.000 2.255 48 V HA -0.049 4.071 4.120 -0.001 0.000 0.243 48 V C 2.254 178.257 176.094 -0.153 0.000 1.038 48 V CA 1.526 63.592 62.300 -0.391 0.000 1.008 48 V CB -0.716 30.738 31.823 -0.614 0.000 0.645 48 V HN 0.358 8.548 8.190 -0.000 0.000 0.449 49 F N 1.311 121.176 119.950 -0.142 0.000 2.250 49 F HA -0.183 4.343 4.527 -0.001 0.000 0.301 49 F C 2.261 178.061 175.800 0.000 0.000 1.077 49 F CA 1.945 59.918 58.000 -0.046 0.000 1.348 49 F CB -0.052 38.922 39.000 -0.043 0.000 1.040 49 F HN 0.166 8.466 8.300 -0.000 0.000 0.509 50 E N 0.521 120.708 120.200 -0.021 0.000 2.208 50 E HA -0.094 4.255 4.350 -0.001 0.000 0.193 50 E C 2.093 178.618 176.600 -0.125 0.000 0.988 50 E CA 1.272 57.628 56.400 -0.073 0.000 0.828 50 E CB -0.337 29.382 29.700 0.032 0.000 0.763 50 E HN 0.554 8.914 8.360 -0.000 0.000 0.478 51 I N 0.180 120.714 120.570 -0.060 0.000 2.480 51 I HA -0.123 4.047 4.170 -0.001 0.000 0.251 51 I C 1.913 177.997 176.117 -0.056 0.000 1.124 51 I CA 0.743 62.023 61.300 -0.032 0.000 1.444 51 I CB -0.181 37.920 38.000 0.169 0.000 1.098 51 I HN 0.107 8.317 8.210 -0.000 0.000 0.428 52 E N 0.688 120.878 120.200 -0.016 0.000 2.150 52 E HA -0.210 4.139 4.350 -0.001 0.000 0.193 52 E C 2.220 178.741 176.600 -0.131 0.000 0.985 52 E CA 0.618 57.061 56.400 0.072 0.000 0.814 52 E CB -0.036 29.743 29.700 0.131 0.000 0.752 52 E HN 0.341 8.701 8.360 -0.000 0.000 0.466 53 R N 1.112 121.388 120.500 -0.373 0.000 2.070 53 R HA -0.177 4.163 4.340 -0.001 0.000 0.232 53 R C 2.392 178.588 176.300 -0.173 0.000 1.138 53 R CA 1.469 57.373 56.100 -0.327 0.000 0.936 53 R CB -0.120 29.970 30.300 -0.350 0.000 0.839 53 R HN 0.091 8.361 8.270 -0.000 0.000 0.429 54 E N 0.453 120.545 120.200 -0.180 0.000 2.017 54 E HA -0.181 4.169 4.350 -0.001 0.000 0.193 54 E C 1.718 178.205 176.600 -0.189 0.000 0.997 54 E CA 1.700 57.997 56.400 -0.171 0.000 0.804 54 E CB -0.217 29.359 29.700 -0.207 0.000 0.757 54 E HN 0.400 8.760 8.360 -0.000 0.000 0.448 55 A N -0.562 122.100 122.820 -0.264 0.000 1.933 55 A HA -0.116 4.204 4.320 -0.001 0.000 0.218 55 A C 1.884 179.176 177.584 -0.487 0.000 1.175 55 A CA 1.552 53.322 52.037 -0.446 0.000 0.628 55 A CB -0.435 18.160 19.000 -0.675 0.000 0.814 55 A HN 0.305 8.455 8.150 -0.000 0.000 0.444 56 F N -1.447 118.466 119.950 -0.062 0.000 2.532 56 F HA 0.294 4.820 4.527 -0.001 0.000 0.278 56 F C 1.967 177.748 175.800 -0.032 0.000 0.975 56 F CA -0.032 57.949 58.000 -0.032 0.000 1.292 56 F CB -0.320 38.673 39.000 -0.011 0.000 1.112 56 F HN -0.008 8.292 8.300 -0.000 0.000 0.703 57 I N 0.255 120.909 120.570 0.141 0.000 2.361 57 I HA -0.240 3.929 4.170 -0.001 0.000 0.251 57 I C 2.377 178.508 176.117 0.024 0.000 1.133 57 I CA 1.616 62.951 61.300 0.058 0.000 1.413 57 I CB -0.632 37.364 38.000 -0.006 0.000 1.073 57 I HN 0.209 8.419 8.210 -0.000 0.000 0.424 58 S N 0.145 115.841 115.700 -0.007 0.000 2.461 58 S HA -0.011 4.459 4.470 -0.001 0.000 0.228 58 S C 1.767 176.361 174.600 -0.010 0.000 1.005 58 S CA 0.578 58.766 58.200 -0.021 0.000 0.942 58 S CB -0.277 62.892 63.200 -0.052 0.000 0.776 58 S HN 0.248 8.558 8.310 -0.000 0.000 0.514 59 V N 1.857 121.774 119.914 0.006 0.000 2.436 59 V HA 0.075 4.194 4.120 -0.001 0.000 0.240 59 V C 2.528 178.641 176.094 0.031 0.000 1.040 59 V CA 1.457 63.763 62.300 0.011 0.000 1.052 59 V CB -0.467 31.362 31.823 0.009 0.000 0.707 59 V HN 0.674 8.864 8.190 -0.000 0.000 0.469 60 S N -0.356 115.383 115.700 0.064 0.000 2.511 60 S HA 0.364 4.834 4.470 -0.001 0.000 0.214 60 S C 1.639 176.272 174.600 0.055 0.000 0.997 60 S CA 0.590 58.829 58.200 0.064 0.000 0.908 60 S CB 0.903 64.165 63.200 0.104 0.000 0.803 60 S HN 1.035 9.345 8.310 -0.000 0.000 0.504 61 G N 1.616 110.450 108.800 0.056 0.000 2.162 61 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.260 61 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.260 61 G C -0.120 174.817 174.900 0.060 0.000 0.976 61 G CA 0.137 45.265 45.100 0.047 0.000 0.655 61 G HN 0.493 8.783 8.290 -0.000 0.000 0.533 62 N N -0.738 118.010 118.700 0.080 0.000 2.455 62 N HA 0.746 5.485 4.740 -0.001 0.000 0.278 62 N C -0.326 175.234 175.510 0.084 0.000 1.291 62 N CA 0.419 53.516 53.050 0.078 0.000 0.780 62 N CB 2.516 41.052 38.487 0.080 0.000 1.520 62 N HN 0.878 9.258 8.380 -0.000 0.000 0.486 63 C N -0.863 118.450 119.300 0.020 0.000 3.170 63 C HA 0.539 4.998 4.460 -0.001 0.000 0.319 63 C C -1.692 173.168 174.990 -0.217 0.000 1.260 63 C CA -1.341 57.614 59.018 -0.104 0.000 1.374 63 C CB 1.238 29.010 27.740 0.053 0.000 1.739 63 C HN 0.531 8.761 8.230 -0.000 0.000 0.479 64 P HA -0.008 4.412 4.420 -0.000 0.000 0.214 64 P C -0.255 176.987 177.300 -0.097 0.000 1.163 64 P CA 1.383 64.287 63.100 -0.327 0.000 0.889 64 P CB 0.064 31.499 31.700 -0.443 0.000 0.790 65 L N -1.488 119.720 121.223 -0.025 0.000 2.431 65 L HA 0.338 4.678 4.340 -0.001 0.000 0.266 65 L C -0.163 176.779 176.870 0.121 0.000 0.978 65 L CA -1.261 53.602 54.840 0.039 0.000 0.822 65 L CB 1.955 44.047 42.059 0.054 0.000 1.310 65 L HN -0.108 8.122 8.230 -0.000 0.000 0.409 66 N N 1.666 120.417 118.700 0.086 0.000 2.463 66 N HA 0.275 5.015 4.740 -0.001 0.000 0.270 66 N C 0.743 176.231 175.510 -0.036 0.000 1.205 66 N CA -0.762 52.353 53.050 0.108 0.000 0.974 66 N CB 0.983 39.467 38.487 -0.005 0.000 1.197 66 N HN 0.622 9.002 8.380 -0.000 0.000 0.504 67 L N -0.219 120.829 121.223 -0.293 0.000 2.034 67 L HA -0.299 4.040 4.340 -0.001 0.000 0.217 67 L C 1.796 178.567 176.870 -0.164 0.000 1.077 67 L CA 2.379 57.059 54.840 -0.268 0.000 0.769 67 L CB -0.726 41.049 42.059 -0.474 0.000 0.890 67 L HN 0.916 9.146 8.230 -0.000 0.000 0.435 68 D N -1.063 119.231 120.400 -0.177 0.000 2.092 68 D HA -0.255 4.384 4.640 -0.001 0.000 0.193 68 D C 1.954 178.177 176.300 -0.128 0.000 0.994 68 D CA 1.894 55.812 54.000 -0.138 0.000 0.828 68 D CB -0.107 40.607 40.800 -0.143 0.000 0.963 68 D HN 0.525 8.895 8.370 -0.000 0.000 0.450 69 E N -0.316 119.797 120.200 -0.146 0.000 2.118 69 E HA -0.151 4.198 4.350 -0.001 0.000 0.195 69 E C 2.392 178.885 176.600 -0.178 0.000 0.992 69 E CA 0.959 57.238 56.400 -0.202 0.000 0.804 69 E CB 0.045 29.646 29.700 -0.165 0.000 0.741 69 E HN 0.247 8.607 8.360 -0.000 0.000 0.458 70 V N 1.406 121.274 119.914 -0.077 0.000 2.307 70 V HA -0.275 3.844 4.120 -0.001 0.000 0.245 70 V C 2.308 178.386 176.094 -0.027 0.000 1.045 70 V CA 1.829 64.113 62.300 -0.026 0.000 1.024 70 V CB -0.527 31.277 31.823 -0.031 0.000 0.651 70 V HN 0.236 8.426 8.190 -0.000 0.000 0.449 71 Q N -0.971 118.802 119.800 -0.044 0.000 2.135 71 Q HA -0.246 4.093 4.340 -0.001 0.000 0.204 71 Q C 2.277 178.266 176.000 -0.018 0.000 0.981 71 Q CA 1.887 57.673 55.803 -0.029 0.000 0.856 71 Q CB -0.354 28.362 28.738 -0.037 0.000 0.902 71 Q HN 0.776 9.046 8.270 -0.000 0.000 0.425 72 H N -0.268 118.703 119.070 -0.164 0.000 2.267 72 H HA -0.178 4.378 4.556 -0.001 0.000 0.297 72 H C 1.695 176.947 175.328 -0.127 0.000 1.080 72 H CA 1.685 57.608 56.048 -0.208 0.000 1.278 72 H CB -0.037 29.493 29.762 -0.387 0.000 1.365 72 H HN 0.205 8.485 8.280 -0.000 0.000 0.489 73 F N 1.047 120.837 119.950 -0.266 0.000 2.202 73 F HA -0.139 4.387 4.527 -0.001 0.000 0.301 73 F C 2.778 178.444 175.800 -0.224 0.000 1.082 73 F CA 0.694 58.495 58.000 -0.333 0.000 1.313 73 F CB -0.648 38.198 39.000 -0.256 0.000 1.024 73 F HN 0.162 8.462 8.300 -0.000 0.000 0.495 74 L N -1.155 120.092 121.223 0.041 0.000 2.291 74 L HA -0.136 4.203 4.340 -0.001 0.000 0.214 74 L C 2.027 178.894 176.870 -0.005 0.000 1.120 74 L CA 1.237 56.092 54.840 0.025 0.000 0.799 74 L CB -0.849 41.227 42.059 0.029 0.000 0.925 74 L HN 0.132 8.362 8.230 -0.000 0.000 0.446 75 T N -0.574 113.957 114.554 -0.039 0.000 2.983 75 T HA -0.020 4.330 4.350 -0.001 0.000 0.250 75 T C 1.901 176.570 174.700 -0.051 0.000 1.037 75 T CA 0.419 62.500 62.100 -0.031 0.000 1.142 75 T CB 0.115 68.971 68.868 -0.020 0.000 0.876 75 T HN 0.143 8.383 8.240 -0.000 0.000 0.455 76 L N 1.258 122.405 121.223 -0.127 0.000 2.023 76 L HA 0.028 4.367 4.340 -0.001 0.000 0.205 76 L C 0.739 177.531 176.870 -0.130 0.000 1.073 76 L CA 1.085 55.849 54.840 -0.127 0.000 0.745 76 L CB 0.094 41.996 42.059 -0.261 0.000 0.900 76 L HN 0.464 8.694 8.230 -0.000 0.000 0.435 77 C N -3.229 115.963 119.300 -0.180 0.000 3.517 77 C HA 0.392 4.851 4.460 -0.001 0.000 0.202 77 C C -1.040 173.910 174.990 -0.067 0.000 1.370 77 C CA -1.559 57.340 59.018 -0.197 0.000 1.308 77 C CB -0.317 27.099 27.740 -0.540 0.000 1.840 77 C HN 0.166 8.396 8.230 -0.000 0.000 0.525 78 P HA -0.191 4.229 4.420 -0.000 0.000 0.220 78 P C 1.536 178.902 177.300 0.110 0.000 1.148 78 P CA 1.896 65.029 63.100 0.056 0.000 0.803 78 P CB 0.212 31.944 31.700 0.053 0.000 0.782 79 E N 0.649 120.910 120.200 0.101 0.000 2.409 79 E HA -0.109 4.241 4.350 -0.001 0.000 0.198 79 E C 1.422 178.155 176.600 0.222 0.000 1.024 79 E CA 0.619 57.124 56.400 0.176 0.000 0.861 79 E CB -0.943 28.813 29.700 0.094 0.000 0.788 79 E HN 0.349 8.709 8.360 -0.000 0.000 0.521 80 L N 1.696 123.010 121.223 0.151 0.000 2.741 80 L HA 0.168 4.508 4.340 -0.001 0.000 0.237 80 L C 0.593 177.689 176.870 0.377 0.000 1.178 80 L CA -0.232 54.724 54.840 0.193 0.000 0.973 80 L CB 0.215 42.319 42.059 0.076 0.000 1.255 80 L HN 0.055 8.285 8.230 -0.000 0.000 0.498 81 S N -0.216 115.697 115.700 0.356 0.000 2.634 81 S HA 0.844 5.313 4.470 -0.001 0.000 0.296 81 S C -0.999 173.815 174.600 0.357 0.000 1.104 81 S CA -0.723 57.684 58.200 0.345 0.000 0.920 81 S CB 2.937 66.258 63.200 0.200 0.000 1.111 81 S HN 0.016 8.326 8.310 -0.000 0.000 0.493 82 L N 0.539 121.959 121.223 0.328 0.000 2.592 82 L HA 0.772 5.111 4.340 -0.001 0.000 0.258 82 L C -0.477 176.573 176.870 0.301 0.000 0.926 82 L CA 0.295 55.319 54.840 0.306 0.000 0.885 82 L CB 1.677 43.961 42.059 0.374 0.000 1.380 82 L HN 1.194 9.424 8.230 -0.000 0.000 0.415 83 G N 2.172 111.159 108.800 0.313 0.000 2.571 83 G HA2 0.453 4.412 3.960 -0.001 0.000 0.304 83 G HA3 0.453 4.412 3.960 -0.001 0.000 0.304 83 G C -2.310 172.652 174.900 0.102 0.000 1.314 83 G CA -0.497 44.690 45.100 0.144 0.000 0.975 83 G HN 0.597 8.887 8.290 -0.000 0.000 0.485 84 W N 3.394 124.525 121.300 -0.283 0.000 2.332 84 W HA 0.630 5.290 4.660 -0.001 0.000 0.306 84 W C -1.862 174.359 176.519 -0.495 0.000 1.149 84 W CA -2.021 55.026 57.345 -0.497 0.000 1.271 84 W CB 0.669 29.845 29.460 -0.474 0.000 1.243 84 W HN 0.211 8.391 8.180 -0.000 0.000 0.459 85 F N 5.544 125.484 119.950 -0.016 0.000 2.361 85 F HA 0.229 4.756 4.527 -0.001 0.000 0.364 85 F C 0.296 176.134 175.800 0.063 0.000 1.117 85 F CA -0.744 57.262 58.000 0.010 0.000 1.071 85 F CB 1.125 40.090 39.000 -0.058 0.000 1.188 85 F HN -0.172 8.128 8.300 -0.000 0.000 0.464 86 V N 4.257 124.282 119.914 0.184 0.000 2.356 86 V HA 0.080 4.200 4.120 -0.001 0.000 0.258 86 V C 0.305 176.464 176.094 0.108 0.000 1.065 86 V CA -0.504 61.888 62.300 0.153 0.000 0.935 86 V CB -0.007 31.806 31.823 -0.015 0.000 1.061 86 V HN 0.835 9.025 8.190 -0.000 0.000 0.484 87 E N 4.231 124.497 120.200 0.109 0.000 2.269 87 E HA -0.306 4.043 4.350 -0.001 0.000 0.223 87 E C 1.270 177.914 176.600 0.073 0.000 1.244 87 E CA 0.536 56.981 56.400 0.076 0.000 0.713 87 E CB -1.235 28.506 29.700 0.069 0.000 1.178 87 E HN 1.310 9.670 8.360 -0.000 0.000 0.370 88 G N 0.315 109.179 108.800 0.106 0.000 2.195 88 G HA2 -0.371 3.588 3.960 -0.001 0.000 0.246 88 G HA3 -0.371 3.588 3.960 -0.001 0.000 0.246 88 G C 0.246 175.268 174.900 0.202 0.000 0.984 88 G CA 0.275 45.443 45.100 0.113 0.000 0.633 88 G HN 0.366 8.656 8.290 -0.000 0.000 0.525 89 R N 0.266 120.861 120.500 0.157 0.000 2.294 89 R HA 0.628 4.968 4.340 -0.001 0.000 0.319 89 R C -0.271 176.003 176.300 -0.044 0.000 0.984 89 R CA -0.925 55.215 56.100 0.067 0.000 0.861 89 R CB 0.622 30.912 30.300 -0.017 0.000 1.104 89 R HN 0.221 8.491 8.270 -0.000 0.000 0.451 90 L N 6.738 127.880 121.223 -0.135 0.000 2.369 90 L HA 0.105 4.444 4.340 -0.001 0.000 0.279 90 L C 0.385 177.049 176.870 -0.343 0.000 1.108 90 L CA 0.427 54.973 54.840 -0.490 0.000 0.852 90 L CB 1.495 43.290 42.059 -0.440 0.000 1.169 90 L HN 0.668 8.898 8.230 -0.000 0.000 0.452 91 V N 2.199 121.847 119.914 -0.442 0.000 3.556 91 V HA 0.799 4.918 4.120 -0.001 0.000 0.287 91 V C 0.390 176.313 176.094 -0.284 0.000 1.422 91 V CA 0.441 62.444 62.300 -0.496 0.000 1.038 91 V CB -0.255 30.821 31.823 -1.246 0.000 0.850 91 V HN 0.899 9.089 8.190 -0.000 0.000 0.437 92 A N 1.049 123.748 122.820 -0.200 0.000 2.540 92 A HA 0.842 5.161 4.320 -0.001 0.000 0.297 92 A C -1.170 176.412 177.584 -0.004 0.000 1.056 92 A CA -0.403 51.557 52.037 -0.128 0.000 0.700 92 A CB 1.463 20.366 19.000 -0.161 0.000 1.280 92 A HN 1.198 9.348 8.150 -0.000 0.000 0.398 93 F N -0.234 119.685 119.950 -0.052 0.000 2.664 93 F HA 0.933 5.460 4.527 -0.001 0.000 0.317 93 F C -1.219 174.565 175.800 -0.028 0.000 1.108 93 F CA -1.509 56.475 58.000 -0.027 0.000 0.957 93 F CB 1.387 40.367 39.000 -0.034 0.000 1.365 93 F HN 0.398 8.698 8.300 -0.000 0.000 0.475 94 I N 3.369 124.057 120.570 0.196 0.000 2.571 94 I HA 0.296 4.466 4.170 -0.001 0.000 0.286 94 I C -1.452 174.721 176.117 0.093 0.000 1.134 94 I CA -0.558 60.716 61.300 -0.043 0.000 1.052 94 I CB 1.891 39.602 38.000 -0.480 0.000 1.237 94 I HN 0.441 8.651 8.210 -0.000 0.000 0.435 95 I N 5.043 125.714 120.570 0.168 0.000 2.336 95 I HA 0.629 4.798 4.170 -0.001 0.000 0.292 95 I C 0.632 176.767 176.117 0.031 0.000 0.991 95 I CA -0.040 61.333 61.300 0.122 0.000 1.227 95 I CB 1.129 39.220 38.000 0.152 0.000 1.366 95 I HN 0.645 8.855 8.210 -0.000 0.000 0.466 96 G N 3.875 112.689 108.800 0.023 0.000 2.949 96 G HA2 0.804 4.763 3.960 -0.001 0.000 0.285 96 G HA3 0.804 4.763 3.960 -0.001 0.000 0.285 96 G C -1.063 173.716 174.900 -0.202 0.000 1.395 96 G CA -0.395 44.736 45.100 0.053 0.000 0.901 96 G HN 0.704 8.994 8.290 -0.000 0.000 0.519 97 S N -1.678 113.975 115.700 -0.079 0.000 2.636 97 S HA 0.619 5.088 4.470 -0.001 0.000 0.266 97 S C -1.452 173.294 174.600 0.244 0.000 1.147 97 S CA -0.851 57.300 58.200 -0.082 0.000 0.815 97 S CB 0.837 63.772 63.200 -0.442 0.000 1.119 97 S HN 0.656 8.966 8.310 -0.000 0.000 0.470 98 L N 1.709 123.209 121.223 0.462 0.000 2.325 98 L HA 0.571 4.910 4.340 -0.001 0.000 0.279 98 L C -0.416 176.678 176.870 0.373 0.000 1.054 98 L CA -0.526 54.509 54.840 0.325 0.000 0.804 98 L CB 1.235 43.430 42.059 0.226 0.000 1.200 98 L HN 0.738 8.968 8.230 -0.000 0.000 0.436 99 W N 3.793 125.088 121.300 -0.009 0.000 2.781 99 W HA 0.265 4.924 4.660 -0.001 0.000 0.345 99 W C -0.843 175.577 176.519 -0.165 0.000 1.085 99 W CA -0.732 56.577 57.345 -0.060 0.000 1.198 99 W CB 2.284 31.665 29.460 -0.132 0.000 1.423 99 W HN 0.639 8.819 8.180 -0.000 0.000 0.532 100 D N 1.442 121.322 120.400 -0.866 0.000 2.788 100 D HA 0.218 4.857 4.640 -0.001 0.000 0.289 100 D C -0.600 175.395 176.300 -0.510 0.000 1.340 100 D CA -0.025 53.676 54.000 -0.498 0.000 0.831 100 D CB 0.336 40.968 40.800 -0.280 0.000 1.103 100 D HN 0.369 8.739 8.370 -0.000 0.000 0.476 101 E N -0.427 119.275 120.200 -0.831 0.000 2.429 101 E HA 0.166 4.516 4.350 -0.001 0.000 0.276 101 E C 0.360 176.935 176.600 -0.041 0.000 0.953 101 E CA -0.814 55.370 56.400 -0.360 0.000 0.787 101 E CB 2.230 31.725 29.700 -0.341 0.000 1.307 101 E HN -0.205 8.155 8.360 -0.000 0.000 0.458 102 E N 0.743 120.972 120.200 0.049 0.000 2.031 102 E HA -0.090 4.259 4.350 -0.001 0.000 0.193 102 E C 0.122 176.792 176.600 0.115 0.000 0.994 102 E CA 1.344 57.778 56.400 0.056 0.000 0.800 102 E CB 0.382 30.112 29.700 0.049 0.000 0.752 102 E HN 0.246 8.606 8.360 -0.000 0.000 0.447 103 R N 0.180 120.812 120.500 0.220 0.000 2.643 103 R HA 0.411 4.751 4.340 -0.001 0.000 0.272 103 R C 0.108 176.624 176.300 0.360 0.000 0.995 103 R CA -0.700 55.565 56.100 0.275 0.000 1.032 103 R CB 0.684 31.106 30.300 0.202 0.000 1.126 103 R HN 0.042 8.312 8.270 -0.000 0.000 0.505 104 L N 1.276 122.585 121.223 0.143 0.000 2.371 104 L HA 0.306 4.645 4.340 -0.001 0.000 0.272 104 L C 0.962 177.780 176.870 -0.087 0.000 1.124 104 L CA -0.128 54.604 54.840 -0.180 0.000 0.816 104 L CB 1.249 43.089 42.059 -0.365 0.000 1.129 104 L HN 0.774 9.004 8.230 -0.000 0.000 0.448 105 T N -1.548 112.887 114.554 -0.197 0.000 2.910 105 T HA 0.241 4.590 4.350 -0.001 0.000 0.287 105 T C 0.418 175.051 174.700 -0.113 0.000 1.050 105 T CA -0.706 61.368 62.100 -0.043 0.000 1.011 105 T CB 1.848 70.788 68.868 0.121 0.000 1.195 105 T HN 0.479 8.719 8.240 -0.000 0.000 0.540 106 Q N 0.468 120.254 119.800 -0.024 0.000 2.030 106 Q HA -0.140 4.200 4.340 -0.001 0.000 0.204 106 Q C 1.913 177.897 176.000 -0.026 0.000 0.986 106 Q CA 2.282 58.076 55.803 -0.014 0.000 0.843 106 Q CB -0.669 28.081 28.738 0.020 0.000 0.904 106 Q HN 0.845 9.114 8.270 -0.000 0.000 0.420 107 E N -0.293 119.908 120.200 0.001 0.000 2.267 107 E HA -0.147 4.202 4.350 -0.001 0.000 0.197 107 E C 1.760 178.354 176.600 -0.011 0.000 0.998 107 E CA 1.195 57.614 56.400 0.032 0.000 0.830 107 E CB -0.221 29.539 29.700 0.100 0.000 0.751 107 E HN 0.520 8.880 8.360 -0.000 0.000 0.491 108 S N 0.085 115.630 115.700 -0.259 0.000 2.547 108 S HA -0.031 4.439 4.470 -0.001 0.000 0.235 108 S C 1.790 176.387 174.600 -0.004 0.000 0.980 108 S CA 0.320 58.197 58.200 -0.538 0.000 0.941 108 S CB -0.211 61.910 63.200 -1.798 0.000 0.763 108 S HN 0.194 8.504 8.310 -0.000 0.000 0.532 109 L N 0.456 121.729 121.223 0.083 0.000 2.131 109 L HA 0.010 4.350 4.340 -0.001 0.000 0.210 109 L C 2.411 179.503 176.870 0.369 0.000 1.092 109 L CA 1.427 56.421 54.840 0.256 0.000 0.759 109 L CB -0.483 41.650 42.059 0.123 0.000 0.903 109 L HN 0.538 8.768 8.230 -0.000 0.000 0.435 110 A N -1.009 121.960 122.820 0.249 0.000 2.535 110 A HA 0.423 4.742 4.320 -0.001 0.000 0.273 110 A C 0.319 178.095 177.584 0.320 0.000 1.267 110 A CA -0.292 51.849 52.037 0.173 0.000 0.940 110 A CB 0.170 19.167 19.000 -0.004 0.000 1.101 110 A HN 0.179 8.329 8.150 -0.000 0.000 0.521 111 L N 0.143 121.654 121.223 0.479 0.000 2.346 111 L HA 0.504 4.843 4.340 -0.001 0.000 0.274 111 L C -0.477 176.782 176.870 0.648 0.000 1.007 111 L CA -0.995 54.149 54.840 0.507 0.000 0.818 111 L CB 1.866 44.181 42.059 0.427 0.000 1.284 111 L HN 0.453 8.683 8.230 -0.000 0.000 0.424 112 H N 3.226 122.578 119.070 0.470 0.000 2.658 112 H HA 0.449 5.005 4.556 -0.001 0.000 0.337 112 H C -1.206 174.291 175.328 0.281 0.000 1.009 112 H CA -0.786 55.474 56.048 0.353 0.000 1.231 112 H CB 1.046 30.995 29.762 0.311 0.000 1.508 112 H HN 0.286 8.566 8.280 -0.000 0.000 0.517 113 R N 6.335 126.778 120.500 -0.094 0.000 2.247 113 R HA 0.198 4.538 4.340 -0.001 0.000 0.329 113 R C -2.158 173.920 176.300 -0.370 0.000 1.014 113 R CA -2.242 53.755 56.100 -0.171 0.000 0.907 113 R CB 0.755 31.043 30.300 -0.020 0.000 1.146 113 R HN 0.619 8.889 8.270 -0.000 0.000 0.499 114 P HA -0.165 4.255 4.420 -0.000 0.000 0.218 114 P C 0.369 177.620 177.300 -0.082 0.000 1.154 114 P CA 1.508 64.454 63.100 -0.257 0.000 0.872 114 P CB 0.265 31.895 31.700 -0.118 0.000 0.790 115 R N -0.574 119.886 120.500 -0.067 0.000 2.449 115 R HA 0.285 4.625 4.340 -0.001 0.000 0.262 115 R C 1.195 177.495 176.300 -0.001 0.000 1.006 115 R CA -0.213 55.872 56.100 -0.025 0.000 1.104 115 R CB -0.199 30.083 30.300 -0.029 0.000 1.206 115 R HN 0.164 8.434 8.270 -0.000 0.000 0.538 116 G N 0.398 109.195 108.800 -0.005 0.000 2.651 116 G HA2 -0.031 3.929 3.960 -0.001 0.000 0.260 116 G HA3 -0.031 3.929 3.960 -0.001 0.000 0.260 116 G C 0.454 175.408 174.900 0.089 0.000 1.216 116 G CA -0.387 44.731 45.100 0.030 0.000 0.913 116 G HN 0.498 8.788 8.290 -0.000 0.000 0.535 117 H N -2.538 116.506 119.070 -0.043 0.000 3.233 117 H HA 0.299 4.855 4.556 -0.001 0.000 0.263 117 H C -0.148 175.174 175.328 -0.009 0.000 1.168 117 H CA -0.079 55.949 56.048 -0.035 0.000 1.159 117 H CB 0.227 29.951 29.762 -0.063 0.000 1.593 117 H HN 0.202 8.482 8.280 -0.000 0.000 0.580 118 S N 1.058 116.524 115.700 -0.390 0.000 2.502 118 S HA 0.652 5.121 4.470 -0.001 0.000 0.304 118 S C -0.191 174.405 174.600 -0.007 0.000 1.097 118 S CA -0.433 57.645 58.200 -0.203 0.000 1.045 118 S CB 2.083 65.106 63.200 -0.296 0.000 1.019 118 S HN 0.554 8.864 8.310 -0.000 0.000 0.481 119 A N 2.676 125.527 122.820 0.051 0.000 2.376 119 A HA 0.263 4.582 4.320 -0.001 0.000 0.298 119 A C 0.000 177.709 177.584 0.209 0.000 1.271 119 A CA -0.235 51.885 52.037 0.138 0.000 0.926 119 A CB -0.494 18.580 19.000 0.122 0.000 1.141 119 A HN 0.968 9.118 8.150 -0.000 0.000 0.539 120 H N 3.757 122.854 119.070 0.046 0.000 2.846 120 H HA 0.334 4.889 4.556 -0.001 0.000 0.278 120 H C -1.028 174.185 175.328 -0.191 0.000 1.117 120 H CA -0.901 55.076 56.048 -0.118 0.000 1.406 120 H CB 0.289 29.908 29.762 -0.239 0.000 1.445 120 H HN 0.483 8.763 8.280 -0.000 0.000 0.469 121 L N 6.967 128.158 121.223 -0.053 0.000 2.363 121 L HA 0.002 4.341 4.340 -0.001 0.000 0.286 121 L C 1.440 178.067 176.870 -0.406 0.000 1.106 121 L CA 0.049 54.768 54.840 -0.202 0.000 0.859 121 L CB 0.188 42.131 42.059 -0.194 0.000 1.223 121 L HN 0.762 8.992 8.230 -0.000 0.000 0.446 122 H N 2.463 121.275 119.070 -0.429 0.000 2.363 122 H HA 0.241 4.797 4.556 -0.001 0.000 0.301 122 H C 0.544 175.731 175.328 -0.234 0.000 1.074 122 H CA 0.938 56.739 56.048 -0.411 0.000 1.354 122 H CB 0.531 30.097 29.762 -0.327 0.000 1.397 122 H HN 0.625 8.905 8.280 -0.000 0.000 0.516 123 A N 0.702 123.522 122.820 0.001 0.000 2.547 123 A HA 0.492 4.812 4.320 -0.001 0.000 0.297 123 A C -1.808 175.796 177.584 0.032 0.000 1.056 123 A CA -0.592 51.486 52.037 0.068 0.000 0.688 123 A CB 1.999 21.163 19.000 0.274 0.000 1.282 123 A HN 0.126 8.276 8.150 -0.000 0.000 0.400 124 L N 1.409 122.608 121.223 -0.041 0.000 2.476 124 L HA 0.927 5.267 4.340 -0.001 0.000 0.269 124 L C -0.498 176.162 176.870 -0.351 0.000 0.965 124 L CA 0.123 54.800 54.840 -0.271 0.000 0.845 124 L CB 1.474 43.445 42.059 -0.146 0.000 1.259 124 L HN 1.741 9.971 8.230 -0.000 0.000 0.403 125 A N 4.018 126.349 122.820 -0.816 0.000 2.574 125 A HA 0.855 5.175 4.320 -0.001 0.000 0.297 125 A C -1.848 175.405 177.584 -0.552 0.000 1.062 125 A CA -0.552 51.089 52.037 -0.660 0.000 0.686 125 A CB 1.906 20.540 19.000 -0.611 0.000 1.285 125 A HN 0.575 8.725 8.150 -0.000 0.000 0.403 126 V N 2.746 122.465 119.914 -0.325 0.000 2.555 126 V HA 0.356 4.476 4.120 -0.001 0.000 0.302 126 V C 0.159 176.209 176.094 -0.074 0.000 1.038 126 V CA -0.746 61.442 62.300 -0.186 0.000 0.887 126 V CB 1.655 33.386 31.823 -0.153 0.000 0.991 126 V HN 0.984 9.174 8.190 -0.000 0.000 0.434 127 H N 4.815 123.841 119.070 -0.074 0.000 3.001 127 H HA 0.033 4.588 4.556 -0.001 0.000 0.334 127 H C 1.547 176.911 175.328 0.060 0.000 1.034 127 H CA 0.667 56.738 56.048 0.038 0.000 1.420 127 H CB 0.858 30.710 29.762 0.150 0.000 1.405 127 H HN 0.772 9.052 8.280 -0.000 0.000 0.593 128 R N 2.171 122.651 120.500 -0.034 0.000 2.154 128 R HA -0.122 4.217 4.340 -0.001 0.000 0.248 128 R C 1.371 177.711 176.300 0.068 0.000 1.155 128 R CA 1.899 57.985 56.100 -0.024 0.000 0.979 128 R CB -0.314 29.902 30.300 -0.141 0.000 0.869 128 R HN 0.279 8.549 8.270 -0.000 0.000 0.452 129 S N -0.305 115.558 115.700 0.272 0.000 2.603 129 S HA 0.141 4.610 4.470 -0.001 0.000 0.220 129 S C 0.105 174.346 174.600 -0.599 0.000 0.967 129 S CA 0.279 58.359 58.200 -0.200 0.000 0.920 129 S CB 0.055 63.032 63.200 -0.373 0.000 0.773 129 S HN 0.344 8.654 8.310 -0.000 0.000 0.529 130 F N 0.821 120.742 119.950 -0.047 0.000 2.781 130 F HA 0.352 4.878 4.527 -0.001 0.000 0.322 130 F C 0.886 176.591 175.800 -0.158 0.000 1.108 130 F CA -0.811 57.099 58.000 -0.149 0.000 1.179 130 F CB 0.282 39.139 39.000 -0.239 0.000 1.072 130 F HN -0.155 8.145 8.300 -0.000 0.000 0.545 131 R N 0.807 121.310 120.500 0.004 0.000 2.726 131 R HA 0.145 4.484 4.340 -0.001 0.000 0.272 131 R C 0.446 176.703 176.300 -0.070 0.000 1.097 131 R CA -0.162 55.903 56.100 -0.059 0.000 1.198 131 R CB 0.117 30.362 30.300 -0.092 0.000 1.114 131 R HN 0.083 8.353 8.270 -0.000 0.000 0.550 132 Q N -0.007 119.747 119.800 -0.078 0.000 2.480 132 Q HA -0.247 4.092 4.340 -0.001 0.000 0.265 132 Q C -0.059 175.922 176.000 -0.031 0.000 1.072 132 Q CA 1.311 57.080 55.803 -0.057 0.000 1.018 132 Q CB -1.674 27.025 28.738 -0.064 0.000 1.433 132 Q HN 0.733 9.003 8.270 -0.000 0.000 0.513 133 Q N -1.467 118.316 119.800 -0.028 0.000 2.189 133 Q HA 0.363 4.702 4.340 -0.001 0.000 0.223 133 Q C 1.236 177.249 176.000 0.021 0.000 0.828 133 Q CA 0.362 56.156 55.803 -0.015 0.000 0.967 133 Q CB 1.012 29.725 28.738 -0.043 0.000 1.139 133 Q HN 0.556 8.826 8.270 -0.000 0.000 0.497 134 G N 1.551 110.381 108.800 0.050 0.000 2.199 134 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.254 134 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.254 134 G C 0.899 175.895 174.900 0.160 0.000 0.982 134 G CA 0.648 45.830 45.100 0.137 0.000 0.632 134 G HN 0.279 8.569 8.290 -0.000 0.000 0.529 135 K N 0.297 120.691 120.400 -0.010 0.000 2.147 135 K HA 0.058 4.377 4.320 -0.001 0.000 0.205 135 K C 2.726 179.368 176.600 0.069 0.000 1.049 135 K CA 1.217 57.398 56.287 -0.177 0.000 0.936 135 K CB -0.351 31.725 32.500 -0.708 0.000 0.722 135 K HN 0.396 8.646 8.250 -0.000 0.000 0.446 136 G N 0.390 109.233 108.800 0.072 0.000 2.408 136 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.217 136 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.217 136 G C 1.468 176.518 174.900 0.250 0.000 1.150 136 G CA 0.637 45.807 45.100 0.117 0.000 0.776 136 G HN 0.169 8.459 8.290 -0.000 0.000 0.542 137 S N 0.089 116.017 115.700 0.381 0.000 2.368 137 S HA -0.079 4.391 4.470 -0.001 0.000 0.224 137 S C 2.491 177.444 174.600 0.588 0.000 1.029 137 S CA 1.004 59.523 58.200 0.532 0.000 0.988 137 S CB -0.211 63.368 63.200 0.631 0.000 0.838 137 S HN 0.167 8.477 8.310 -0.000 0.000 0.462 138 V N 2.279 122.546 119.914 0.587 0.000 2.407 138 V HA -0.135 3.985 4.120 -0.001 0.000 0.248 138 V C 2.183 178.637 176.094 0.600 0.000 1.055 138 V CA 1.372 64.063 62.300 0.652 0.000 1.049 138 V CB -0.608 31.717 31.823 0.837 0.000 0.662 138 V HN 0.431 8.621 8.190 -0.000 0.000 0.455 139 L N -0.724 120.889 121.223 0.649 0.000 2.027 139 L HA -0.149 4.191 4.340 -0.001 0.000 0.206 139 L C 2.442 179.526 176.870 0.356 0.000 1.074 139 L CA 1.828 57.029 54.840 0.601 0.000 0.745 139 L CB -0.274 42.086 42.059 0.502 0.000 0.898 139 L HN 0.355 8.585 8.230 -0.000 0.000 0.433 140 L N -0.567 120.778 121.223 0.204 0.000 2.012 140 L HA -0.221 4.119 4.340 -0.001 0.000 0.210 140 L C 2.130 179.125 176.870 0.208 0.000 1.073 140 L CA 2.015 56.866 54.840 0.018 0.000 0.748 140 L CB -0.918 40.830 42.059 -0.520 0.000 0.891 140 L HN 0.258 8.488 8.230 -0.000 0.000 0.431 141 W N -0.270 121.206 121.300 0.292 0.000 2.335 141 W HA -0.274 4.386 4.660 -0.001 0.000 0.311 141 W C 2.918 179.627 176.519 0.318 0.000 1.213 141 W CA 1.138 58.697 57.345 0.358 0.000 1.274 141 W CB -0.144 29.535 29.460 0.366 0.000 1.148 141 W HN 0.067 8.247 8.180 -0.000 0.000 0.498 142 R N -0.358 120.409 120.500 0.444 0.000 2.096 142 R HA -0.267 4.072 4.340 -0.001 0.000 0.240 142 R C 2.127 178.584 176.300 0.262 0.000 1.139 142 R CA 2.150 58.337 56.100 0.146 0.000 0.952 142 R CB -1.384 28.714 30.300 -0.337 0.000 0.854 142 R HN 0.343 8.613 8.270 -0.000 0.000 0.436 143 Y N 0.244 120.656 120.300 0.187 0.000 2.224 143 Y HA -0.124 4.426 4.550 -0.001 0.000 0.289 143 Y C 1.631 177.661 175.900 0.216 0.000 1.146 143 Y CA 1.626 59.850 58.100 0.207 0.000 1.182 143 Y CB -0.043 38.518 38.460 0.168 0.000 0.983 143 Y HN 0.048 8.328 8.280 -0.000 0.000 0.524 144 L N -1.031 120.362 121.223 0.283 0.000 2.141 144 L HA -0.230 4.109 4.340 -0.001 0.000 0.209 144 L C 2.362 179.226 176.870 -0.009 0.000 1.094 144 L CA 1.072 55.979 54.840 0.111 0.000 0.763 144 L CB -0.625 41.521 42.059 0.145 0.000 0.908 144 L HN 0.360 8.590 8.230 -0.000 0.000 0.437 145 H N -1.863 117.286 119.070 0.133 0.000 2.372 145 H HA -0.139 4.417 4.556 -0.001 0.000 0.301 145 H C 2.179 177.523 175.328 0.026 0.000 1.065 145 H CA 1.590 57.682 56.048 0.073 0.000 1.364 145 H CB -0.021 29.781 29.762 0.067 0.000 1.406 145 H HN 0.380 8.660 8.280 -0.000 0.000 0.521 146 H N 1.453 120.549 119.070 0.044 0.000 2.290 146 H HA -0.120 4.435 4.556 -0.001 0.000 0.298 146 H C 2.260 177.516 175.328 -0.120 0.000 1.087 146 H CA 2.739 58.759 56.048 -0.047 0.000 1.291 146 H CB -0.296 29.426 29.762 -0.066 0.000 1.369 146 H HN 0.162 8.442 8.280 -0.000 0.000 0.492 147 V N -1.792 117.921 119.914 -0.335 0.000 2.591 147 V HA 0.131 4.250 4.120 -0.001 0.000 0.249 147 V C 2.496 178.465 176.094 -0.209 0.000 1.053 147 V CA 1.440 63.515 62.300 -0.376 0.000 1.068 147 V CB -1.115 30.439 31.823 -0.448 0.000 0.689 147 V HN 0.506 8.696 8.190 -0.000 0.000 0.462 148 G N 0.280 108.994 108.800 -0.143 0.000 2.432 148 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.219 148 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.219 148 G C 1.644 176.503 174.900 -0.069 0.000 1.135 148 G CA 1.031 46.076 45.100 -0.092 0.000 0.767 148 G HN 0.864 9.154 8.290 -0.000 0.000 0.550 149 A N -0.103 122.674 122.820 -0.072 0.000 2.066 149 A HA 0.136 4.456 4.320 -0.001 0.000 0.218 149 A C 1.486 179.025 177.584 -0.073 0.000 1.157 149 A CA 0.402 52.406 52.037 -0.054 0.000 0.670 149 A CB -0.111 18.864 19.000 -0.042 0.000 0.804 149 A HN 0.474 8.624 8.150 -0.000 0.000 0.453 150 Q N 0.065 119.799 119.800 -0.111 0.000 2.281 150 Q HA 0.167 4.506 4.340 -0.001 0.000 0.267 150 Q C -1.831 174.138 176.000 -0.052 0.000 1.053 150 Q CA -1.747 54.001 55.803 -0.091 0.000 0.905 150 Q CB 0.455 29.120 28.738 -0.122 0.000 1.195 150 Q HN 0.192 8.462 8.270 -0.000 0.000 0.398 151 P HA -0.253 4.167 4.420 -0.000 0.000 0.228 151 P C 0.120 177.413 177.300 -0.011 0.000 1.143 151 P CA 1.302 64.390 63.100 -0.020 0.000 0.771 151 P CB 0.290 31.980 31.700 -0.016 0.000 0.764 152 A N -2.412 120.404 122.820 -0.006 0.000 2.242 152 A HA 0.151 4.471 4.320 -0.001 0.000 0.205 152 A C 0.617 178.218 177.584 0.029 0.000 1.353 152 A CA 0.032 52.077 52.037 0.013 0.000 1.005 152 A CB 0.238 19.249 19.000 0.019 0.000 1.127 152 A HN -0.032 8.118 8.150 -0.000 0.000 0.498 153 V N 2.283 122.199 119.914 0.004 0.000 2.364 153 V HA 0.126 4.246 4.120 -0.001 0.000 0.252 153 V C 1.103 177.193 176.094 -0.006 0.000 1.075 153 V CA 0.175 62.472 62.300 -0.004 0.000 1.033 153 V CB -0.355 31.446 31.823 -0.037 0.000 1.116 153 V HN 0.489 8.679 8.190 -0.000 0.000 0.488 154 R N 2.752 123.265 120.500 0.023 0.000 2.254 154 R HA 0.272 4.612 4.340 -0.001 0.000 0.195 154 R C 1.029 177.326 176.300 -0.004 0.000 0.957 154 R CA 0.205 56.313 56.100 0.014 0.000 1.024 154 R CB 0.541 30.865 30.300 0.039 0.000 0.952 154 R HN 0.578 8.848 8.270 -0.000 0.000 0.484 155 R N -0.259 120.233 120.500 -0.013 0.000 2.817 155 R HA 0.636 4.975 4.340 -0.001 0.000 0.268 155 R C -1.970 174.307 176.300 -0.038 0.000 1.027 155 R CA -0.659 55.416 56.100 -0.041 0.000 0.928 155 R CB 1.975 32.251 30.300 -0.041 0.000 1.228 155 R HN 0.056 8.326 8.270 -0.000 0.000 0.469 156 A N 1.354 124.149 122.820 -0.042 0.000 2.393 156 A HA 0.646 4.966 4.320 -0.001 0.000 0.306 156 A C -1.171 176.530 177.584 0.195 0.000 1.050 156 A CA -0.587 51.489 52.037 0.065 0.000 0.724 156 A CB 1.586 20.602 19.000 0.027 0.000 1.248 156 A HN 0.550 8.700 8.150 -0.000 0.000 0.424 157 V N 0.274 120.341 119.914 0.256 0.000 2.876 157 V HA 0.949 5.069 4.120 -0.001 0.000 0.312 157 V C -0.853 175.343 176.094 0.171 0.000 1.085 157 V CA -0.833 61.631 62.300 0.274 0.000 0.945 157 V CB 0.980 32.891 31.823 0.147 0.000 1.017 157 V HN 1.830 10.020 8.190 -0.000 0.000 0.428 158 L N 1.446 122.691 121.223 0.036 0.000 2.775 158 L HA 0.875 5.214 4.340 -0.001 0.000 0.263 158 L C -0.787 175.945 176.870 -0.230 0.000 1.017 158 L CA -0.968 53.766 54.840 -0.177 0.000 0.891 158 L CB 2.151 43.927 42.059 -0.471 0.000 1.482 158 L HN 1.122 9.352 8.230 -0.000 0.000 0.410 159 M N 1.284 120.722 119.600 -0.271 0.000 2.535 159 M HA 0.947 5.426 4.480 -0.001 0.000 0.314 159 M C -0.790 175.353 176.300 -0.262 0.000 1.153 159 M CA -0.350 54.817 55.300 -0.221 0.000 0.924 159 M CB 2.086 34.556 32.600 -0.216 0.000 1.710 159 M HN 1.126 9.416 8.290 -0.000 0.000 0.451 160 C N -0.023 119.248 119.300 -0.050 0.000 3.318 160 C HA 0.730 5.189 4.460 -0.001 0.000 0.322 160 C C -0.625 174.559 174.990 0.324 0.000 1.398 160 C CA -0.813 58.270 59.018 0.107 0.000 1.339 160 C CB 1.908 29.759 27.740 0.186 0.000 1.668 160 C HN 1.041 9.271 8.230 -0.000 0.000 0.462 161 E N 0.931 121.348 120.200 0.362 0.000 2.349 161 E HA 0.162 4.512 4.350 -0.001 0.000 0.262 161 E C -0.106 176.589 176.600 0.158 0.000 1.088 161 E CA -0.352 56.202 56.400 0.258 0.000 0.899 161 E CB 0.797 30.616 29.700 0.198 0.000 1.044 161 E HN 0.628 8.988 8.360 -0.000 0.000 0.420 162 D N 1.290 121.748 120.400 0.096 0.000 2.172 162 D HA -0.230 4.410 4.640 -0.001 0.000 0.196 162 D C 1.754 178.100 176.300 0.076 0.000 0.999 162 D CA 2.094 56.141 54.000 0.077 0.000 0.856 162 D CB -0.159 40.667 40.800 0.043 0.000 0.934 162 D HN 0.623 8.993 8.370 -0.000 0.000 0.453 163 A N 0.656 123.512 122.820 0.060 0.000 1.940 163 A HA -0.148 4.171 4.320 -0.001 0.000 0.219 163 A C 2.323 179.934 177.584 0.045 0.000 1.176 163 A CA 1.002 53.062 52.037 0.037 0.000 0.631 163 A CB -0.671 18.335 19.000 0.011 0.000 0.814 163 A HN 0.254 8.404 8.150 -0.000 0.000 0.446 164 L N -0.417 120.854 121.223 0.079 0.000 2.599 164 L HA -0.015 4.324 4.340 -0.001 0.000 0.230 164 L C 2.077 179.065 176.870 0.198 0.000 1.141 164 L CA -0.154 54.740 54.840 0.089 0.000 0.877 164 L CB -0.085 42.047 42.059 0.122 0.000 1.009 164 L HN 0.196 8.426 8.230 -0.000 0.000 0.447 165 V N 0.894 120.922 119.914 0.191 0.000 2.255 165 V HA -0.186 3.934 4.120 -0.001 0.000 0.247 165 V C -0.130 176.066 176.094 0.170 0.000 1.051 165 V CA 2.075 64.495 62.300 0.199 0.000 1.018 165 V CB -1.301 30.603 31.823 0.136 0.000 0.641 165 V HN 0.368 8.557 8.190 -0.000 0.000 0.445 166 P HA -0.159 4.261 4.420 -0.000 0.000 0.218 166 P C 1.645 179.019 177.300 0.124 0.000 1.149 166 P CA 1.271 64.435 63.100 0.107 0.000 0.817 166 P CB -0.096 31.655 31.700 0.085 0.000 0.785 167 F N -0.570 119.350 119.950 -0.049 0.000 2.075 167 F HA -0.219 4.308 4.527 -0.001 0.000 0.297 167 F C 1.915 177.722 175.800 0.012 0.000 1.113 167 F CA 1.550 59.490 58.000 -0.100 0.000 1.218 167 F CB -1.115 37.707 39.000 -0.296 0.000 0.984 167 F HN -0.144 8.156 8.300 -0.000 0.000 0.472 168 Y N 0.984 121.297 120.300 0.022 0.000 2.403 168 Y HA -0.182 4.367 4.550 -0.001 0.000 0.291 168 Y C 2.487 178.460 175.900 0.121 0.000 1.143 168 Y CA 1.482 59.539 58.100 -0.071 0.000 1.257 168 Y CB -1.151 37.154 38.460 -0.258 0.000 0.984 168 Y HN 0.294 8.574 8.280 -0.000 0.000 0.550 169 Q N -0.225 119.670 119.800 0.159 0.000 2.291 169 Q HA -0.122 4.218 4.340 -0.001 0.000 0.205 169 Q C 1.789 177.761 176.000 -0.048 0.000 0.970 169 Q CA 0.736 56.571 55.803 0.053 0.000 0.876 169 Q CB -0.112 28.648 28.738 0.036 0.000 0.935 169 Q HN 0.506 8.776 8.270 -0.000 0.000 0.455 170 R N -0.492 119.912 120.500 -0.160 0.000 2.316 170 R HA -0.026 4.314 4.340 -0.001 0.000 0.202 170 R C 0.553 176.431 176.300 -0.703 0.000 1.029 170 R CA 0.653 56.504 56.100 -0.415 0.000 1.018 170 R CB 0.174 30.113 30.300 -0.602 0.000 0.888 170 R HN 0.245 8.515 8.270 -0.000 0.000 0.471 171 F N -1.138 118.644 119.950 -0.280 0.000 2.682 171 F HA 0.336 4.863 4.527 -0.001 0.000 0.308 171 F C 1.488 177.093 175.800 -0.325 0.000 1.093 171 F CA 0.234 57.886 58.000 -0.580 0.000 1.244 171 F CB 1.199 39.838 39.000 -0.602 0.000 1.052 171 F HN 0.124 8.424 8.300 -0.000 0.000 0.573 172 G N -0.129 108.632 108.800 -0.066 0.000 2.201 172 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.212 172 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.212 172 G C 0.189 174.878 174.900 -0.351 0.000 0.994 172 G CA -0.731 44.261 45.100 -0.180 0.000 0.644 172 G HN 0.109 8.399 8.290 -0.000 0.000 0.508 173 F N 2.480 122.319 119.950 -0.184 0.000 2.506 173 F HA 0.551 5.078 4.527 -0.001 0.000 0.351 173 F C 1.212 176.829 175.800 -0.306 0.000 1.136 173 F CA 0.189 58.102 58.000 -0.144 0.000 1.298 173 F CB 0.563 39.539 39.000 -0.040 0.000 1.145 173 F HN 0.059 8.359 8.300 -0.000 0.000 0.593 174 H N 1.559 120.766 119.070 0.228 0.000 2.637 174 H HA 0.291 4.846 4.556 -0.001 0.000 0.363 174 H C -2.450 172.925 175.328 0.079 0.000 1.131 174 H CA -2.192 53.936 56.048 0.134 0.000 1.183 174 H CB 1.858 31.678 29.762 0.097 0.000 1.637 174 H HN 0.190 8.470 8.280 -0.000 0.000 0.531 175 P HA 0.067 4.487 4.420 -0.000 0.000 0.267 175 P C -0.267 177.043 177.300 0.015 0.000 1.209 175 P CA 0.102 63.248 63.100 0.076 0.000 0.763 175 P CB 0.628 32.378 31.700 0.084 0.000 0.816 176 A N 3.669 126.434 122.820 -0.091 0.000 2.637 176 A HA 0.598 4.917 4.320 -0.001 0.000 0.293 176 A C 0.929 178.472 177.584 -0.068 0.000 1.216 176 A CA 0.245 52.191 52.037 -0.152 0.000 0.956 176 A CB -0.892 17.778 19.000 -0.551 0.000 1.174 176 A HN 0.720 8.870 8.150 -0.000 0.000 0.525 177 G N 0.219 109.005 108.800 -0.022 0.000 2.698 177 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.233 177 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.233 177 G C -2.942 171.962 174.900 0.006 0.000 1.352 177 G CA -0.512 44.590 45.100 0.002 0.000 0.879 177 G HN 0.296 8.586 8.290 -0.000 0.000 0.567 178 P HA 0.366 4.786 4.420 -0.000 0.000 0.266 178 P C 0.250 177.571 177.300 0.035 0.000 1.195 178 P CA -0.133 62.983 63.100 0.028 0.000 0.768 178 P CB 0.884 32.597 31.700 0.022 0.000 0.838 179 C N 3.361 122.697 119.300 0.059 0.000 2.388 179 C HA 0.509 4.969 4.460 -0.001 0.000 0.362 179 C C 1.778 176.807 174.990 0.064 0.000 1.266 179 C CA -0.002 59.053 59.018 0.061 0.000 2.028 179 C CB -0.549 27.245 27.740 0.090 0.000 2.440 179 C HN 0.737 8.967 8.230 -0.000 0.000 0.547 180 A N 5.319 128.168 122.820 0.047 0.000 2.239 180 A HA 0.188 4.507 4.320 -0.001 0.000 0.209 180 A C 0.696 178.306 177.584 0.045 0.000 1.171 180 A CA 0.641 52.704 52.037 0.045 0.000 0.768 180 A CB -0.422 18.606 19.000 0.046 0.000 0.790 180 A HN 0.832 8.982 8.150 -0.000 0.000 0.478 181 I N 1.410 122.014 120.570 0.057 0.000 2.331 181 I HA 0.302 4.472 4.170 -0.001 0.000 0.292 181 I C -0.418 175.788 176.117 0.148 0.000 0.998 181 I CA -0.797 60.544 61.300 0.068 0.000 1.267 181 I CB 1.738 39.753 38.000 0.025 0.000 1.386 181 I HN 0.054 8.264 8.210 -0.000 0.000 0.476 182 V N 4.902 124.884 119.914 0.113 0.000 2.417 182 V HA 0.586 4.706 4.120 -0.001 0.000 0.291 182 V C -0.350 175.826 176.094 0.136 0.000 1.024 182 V CA -0.633 61.739 62.300 0.120 0.000 0.861 182 V CB 1.557 33.410 31.823 0.049 0.000 0.985 182 V HN 0.405 8.595 8.190 -0.000 0.000 0.436 183 V N 5.757 125.798 119.914 0.210 0.000 2.378 183 V HA 0.811 4.930 4.120 -0.001 0.000 0.288 183 V C 1.242 177.400 176.094 0.107 0.000 1.016 183 V CA 0.750 63.155 62.300 0.174 0.000 0.840 183 V CB 0.251 32.226 31.823 0.253 0.000 0.994 183 V HN 1.635 9.825 8.190 -0.000 0.000 0.431 184 G N 5.684 114.522 108.800 0.063 0.000 2.602 184 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.310 184 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.310 184 G C 0.583 175.492 174.900 0.015 0.000 1.183 184 G CA 0.526 45.648 45.100 0.037 0.000 0.979 184 G HN 0.941 9.231 8.290 -0.000 0.000 0.545 185 S N 0.569 116.267 115.700 -0.004 0.000 2.592 185 S HA 0.616 5.086 4.470 -0.001 0.000 0.243 185 S C -0.060 174.491 174.600 -0.081 0.000 1.160 185 S CA -0.224 57.957 58.200 -0.032 0.000 1.145 185 S CB 0.202 63.388 63.200 -0.024 0.000 0.909 185 S HN 0.525 8.835 8.310 -0.000 0.000 0.487 186 L N 2.099 123.252 121.223 -0.117 0.000 2.365 186 L HA 0.625 4.965 4.340 -0.001 0.000 0.273 186 L C 0.023 176.576 176.870 -0.529 0.000 1.000 186 L CA -0.422 54.220 54.840 -0.330 0.000 0.819 186 L CB 2.221 44.089 42.059 -0.320 0.000 1.284 186 L HN 0.208 8.438 8.230 -0.000 0.000 0.418 187 T N -1.116 113.024 114.554 -0.690 0.000 2.887 187 T HA 0.783 5.132 4.350 -0.001 0.000 0.288 187 T C -0.667 173.555 174.700 -0.796 0.000 1.021 187 T CA -0.607 61.167 62.100 -0.543 0.000 1.000 187 T CB 1.533 70.265 68.868 -0.227 0.000 1.034 187 T HN 0.174 8.414 8.240 -0.000 0.000 0.467 188 F N -0.452 119.492 119.950 -0.009 0.000 2.640 188 F HA 0.645 5.172 4.527 -0.000 0.000 0.324 188 F C 0.457 176.248 175.800 -0.016 0.000 1.077 188 F CA -1.184 56.810 58.000 -0.010 0.000 0.965 188 F CB 1.871 40.858 39.000 -0.021 0.000 1.351 188 F HN 0.488 8.788 8.300 -0.000 0.000 0.487 189 T N 0.286 114.958 114.554 0.197 0.000 2.837 189 T HA 0.257 4.606 4.350 -0.001 0.000 0.285 189 T C -0.580 174.147 174.700 0.044 0.000 0.984 189 T CA -0.604 61.550 62.100 0.090 0.000 1.049 189 T CB 1.224 70.137 68.868 0.074 0.000 0.947 189 T HN 0.521 8.761 8.240 -0.000 0.000 0.472 190 E N 2.845 123.037 120.200 -0.013 0.000 2.331 190 E HA 0.333 4.682 4.350 -0.001 0.000 0.272 190 E C -0.639 175.871 176.600 -0.151 0.000 1.036 190 E CA -0.573 55.774 56.400 -0.088 0.000 0.864 190 E CB 0.463 30.097 29.700 -0.111 0.000 1.035 190 E HN 0.342 8.702 8.360 -0.000 0.000 0.408 191 M N 3.296 122.820 119.600 -0.127 0.000 2.326 191 M HA 0.316 4.795 4.480 -0.001 0.000 0.306 191 M C -1.232 175.210 176.300 0.237 0.000 1.054 191 M CA -0.427 54.873 55.300 -0.001 0.000 0.922 191 M CB 1.662 34.234 32.600 -0.047 0.000 1.632 191 M HN 0.624 8.914 8.290 -0.000 0.000 0.436 192 H N 0.277 119.515 119.070 0.280 0.000 2.538 192 H HA 0.551 5.107 4.556 -0.001 0.000 0.353 192 H C -0.983 174.380 175.328 0.058 0.000 1.109 192 H CA -0.746 55.415 56.048 0.190 0.000 1.192 192 H CB 2.672 32.512 29.762 0.130 0.000 1.555 192 H HN 0.753 9.033 8.280 -0.000 0.000 0.518 193 C N 3.500 122.745 119.300 -0.092 0.000 2.344 193 C HA 0.382 4.841 4.460 -0.001 0.000 0.326 193 C C 0.282 175.146 174.990 -0.211 0.000 1.201 193 C CA -0.387 58.371 59.018 -0.432 0.000 1.410 193 C CB 0.078 26.957 27.740 -1.436 0.000 2.070 193 C HN 0.844 9.074 8.230 -0.000 0.000 0.445 194 S N 4.374 120.028 115.700 -0.077 0.000 2.564 194 S HA 0.599 5.069 4.470 -0.001 0.000 0.278 194 S C 0.208 174.768 174.600 -0.066 0.000 1.333 194 S CA -0.036 58.139 58.200 -0.041 0.000 1.048 194 S CB 0.318 63.524 63.200 0.011 0.000 0.900 194 S HN 0.742 9.052 8.310 -0.000 0.000 0.505 195 L N 3.294 124.484 121.223 -0.054 0.000 2.756 195 L HA 0.535 4.874 4.340 -0.001 0.000 0.220 195 L C 0.736 177.588 176.870 -0.030 0.000 1.797 195 L CA -1.216 53.592 54.840 -0.054 0.000 2.814 195 L CB -0.122 41.897 42.059 -0.067 0.000 2.634 195 L HN 0.599 8.829 8.230 -0.000 0.000 0.723 196 R N 0.000 120.483 120.500 -0.028 0.000 2.786 196 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 196 R CA 0.000 56.090 56.100 -0.017 0.000 0.921 196 R CB 0.000 30.289 30.300 -0.018 0.000 0.687 196 R HN 0.000 8.270 8.270 -0.000 0.000 0.535