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 2cb9_1_A DATA FIRST_RESID 6 DATA SEQUENCE SAAGEQHVIQ LNQQGGKNLF CFPPISGFGI YFKDLALQLN HKAAVYGFHF DATA SEQUENCE IEEDSRIEQY VSRITEIQPE GPYVLLGYSA GGNLAFEVVQ AMEQKGLEVS DATA SEQUENCE DFIIVDAYKK DQSITADXXX XXXXAYLPEA VRETVMQKKR CYQEYWAQLI DATA SEQUENCE NEGRIKSNIH FIEAGIQTET SGAMVLQKWQ DAAEEGYAEY TGYGAHKDML DATA SEQUENCE EGEFAEKNAN IILNILDKI 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 6 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 6 S C 0.000 174.636 174.600 0.059 0.000 1.055 6 S CA 0.000 58.265 58.200 0.108 0.000 1.107 6 S CB 0.000 63.315 63.200 0.192 0.000 0.593 7 A N 0.875 123.739 122.820 0.075 0.000 1.908 7 A HA 0.413 4.732 4.320 -0.002 0.000 0.218 7 A C 1.706 179.308 177.584 0.030 0.000 1.181 7 A CA 1.925 53.987 52.037 0.041 0.000 0.627 7 A CB -1.074 17.955 19.000 0.048 0.000 0.818 7 A HN 1.985 10.135 8.150 -0.000 0.000 0.445 8 A N -2.704 120.133 122.820 0.028 0.000 2.606 8 A HA 0.492 4.810 4.320 -0.002 0.000 0.290 8 A C 1.413 178.998 177.584 0.001 0.000 1.174 8 A CA 0.826 52.871 52.037 0.013 0.000 0.958 8 A CB -0.623 18.386 19.000 0.015 0.000 1.194 8 A HN 1.927 10.077 8.150 -0.000 0.000 0.526 9 G N 0.505 109.305 108.800 -0.000 0.000 2.184 9 G HA2 -0.300 3.658 3.960 -0.002 0.000 0.264 9 G HA3 -0.300 3.658 3.960 -0.002 0.000 0.264 9 G C 0.222 175.103 174.900 -0.031 0.000 0.975 9 G CA 0.516 45.611 45.100 -0.008 0.000 0.642 9 G HN 0.970 9.260 8.290 -0.000 0.000 0.536 10 E N 1.011 121.174 120.200 -0.062 0.000 2.369 10 E HA 0.411 4.759 4.350 -0.002 0.000 0.255 10 E C 0.518 176.992 176.600 -0.209 0.000 1.172 10 E CA 0.013 56.345 56.400 -0.114 0.000 0.932 10 E CB 0.359 29.986 29.700 -0.121 0.000 1.040 10 E HN 0.750 9.110 8.360 -0.000 0.000 0.454 11 Q N 0.038 119.717 119.800 -0.202 0.000 2.240 11 Q HA 0.340 4.678 4.340 -0.002 0.000 0.260 11 Q C -0.187 175.605 176.000 -0.345 0.000 1.018 11 Q CA -0.815 54.862 55.803 -0.211 0.000 0.898 11 Q CB 1.230 29.934 28.738 -0.057 0.000 1.301 11 Q HN 0.588 8.858 8.270 -0.000 0.000 0.469 12 H N -0.182 118.930 119.070 0.071 0.000 2.492 12 H HA 0.463 5.018 4.556 -0.002 0.000 0.264 12 H C -1.074 174.142 175.328 -0.187 0.000 1.150 12 H CA -0.033 56.062 56.048 0.079 0.000 0.962 12 H CB 1.140 30.987 29.762 0.142 0.000 1.766 12 H HN 0.360 8.640 8.280 -0.000 0.000 0.589 13 V N 1.251 120.997 119.914 -0.281 0.000 3.048 13 V HA 0.382 4.500 4.120 -0.002 0.000 0.303 13 V C -1.446 174.491 176.094 -0.263 0.000 1.214 13 V CA -0.712 61.293 62.300 -0.492 0.000 0.984 13 V CB 3.098 34.435 31.823 -0.810 0.000 1.054 13 V HN 0.166 8.356 8.190 -0.000 0.000 0.430 14 I N 4.722 125.171 120.570 -0.203 0.000 2.406 14 I HA 0.443 4.611 4.170 -0.002 0.000 0.290 14 I C -0.078 175.962 176.117 -0.129 0.000 0.999 14 I CA -0.416 60.838 61.300 -0.076 0.000 1.124 14 I CB 1.831 39.839 38.000 0.012 0.000 1.289 14 I HN 0.637 8.847 8.210 -0.000 0.000 0.441 15 Q N 6.218 125.923 119.800 -0.157 0.000 2.286 15 Q HA 0.216 4.555 4.340 -0.002 0.000 0.265 15 Q C -0.099 175.708 176.000 -0.321 0.000 1.080 15 Q CA 0.091 55.628 55.803 -0.443 0.000 0.906 15 Q CB 0.784 29.296 28.738 -0.377 0.000 1.227 15 Q HN 0.746 9.016 8.270 -0.000 0.000 0.409 16 L N 3.522 124.537 121.223 -0.346 0.000 2.616 16 L HA 0.152 4.490 4.340 -0.002 0.000 0.229 16 L C 0.029 176.780 176.870 -0.199 0.000 1.110 16 L CA -0.076 54.644 54.840 -0.200 0.000 0.884 16 L CB -0.061 41.925 42.059 -0.120 0.000 1.115 16 L HN 0.628 8.857 8.230 -0.000 0.000 0.481 17 N N -2.822 115.716 118.700 -0.270 0.000 3.344 17 N HA 0.180 4.918 4.740 -0.002 0.000 0.296 17 N C -0.968 174.370 175.510 -0.287 0.000 1.571 17 N CA -0.864 52.036 53.050 -0.250 0.000 0.844 17 N CB 0.493 38.842 38.487 -0.231 0.000 1.718 17 N HN -0.272 8.108 8.380 -0.000 0.000 0.589 18 Q N 0.325 119.931 119.800 -0.323 0.000 2.373 18 Q HA 0.183 4.522 4.340 -0.002 0.000 0.255 18 Q C -0.252 175.617 176.000 -0.218 0.000 0.980 18 Q CA 0.065 55.689 55.803 -0.299 0.000 0.882 18 Q CB 0.449 28.875 28.738 -0.520 0.000 1.249 18 Q HN 0.556 8.826 8.270 -0.000 0.000 0.438 19 Q N 0.010 119.737 119.800 -0.123 0.000 2.432 19 Q HA 0.440 4.779 4.340 -0.002 0.000 0.264 19 Q C 0.220 176.211 176.000 -0.014 0.000 1.035 19 Q CA 0.492 56.268 55.803 -0.045 0.000 0.908 19 Q CB 0.550 29.299 28.738 0.018 0.000 1.280 19 Q HN 0.847 9.117 8.270 -0.000 0.000 0.455 20 G N -0.479 108.324 108.800 0.005 0.000 2.334 20 G HA2 0.364 4.322 3.960 -0.002 0.000 0.566 20 G HA3 0.364 4.322 3.960 -0.002 0.000 0.566 20 G C -0.082 174.820 174.900 0.003 0.000 1.413 20 G CA -0.296 44.816 45.100 0.020 0.000 0.993 20 G HN 1.027 9.317 8.290 -0.000 0.000 0.642 21 G N 0.104 108.909 108.800 0.008 0.000 2.578 21 G HA2 -0.099 3.859 3.960 -0.002 0.000 0.275 21 G HA3 -0.099 3.859 3.960 -0.002 0.000 0.275 21 G C 0.392 175.286 174.900 -0.010 0.000 1.271 21 G CA 0.850 45.947 45.100 -0.004 0.000 0.941 21 G HN 1.237 9.527 8.290 -0.000 0.000 0.564 22 K N 1.001 121.389 120.400 -0.021 0.000 2.295 22 K HA 0.233 4.551 4.320 -0.002 0.000 0.270 22 K C 0.209 176.781 176.600 -0.046 0.000 1.011 22 K CA -0.367 55.906 56.287 -0.024 0.000 0.953 22 K CB 0.252 32.739 32.500 -0.021 0.000 0.956 22 K HN 0.456 8.706 8.250 -0.000 0.000 0.477 23 N N 2.235 120.895 118.700 -0.066 0.000 2.488 23 N HA 0.132 4.870 4.740 -0.002 0.000 0.274 23 N C -1.031 174.299 175.510 -0.300 0.000 1.111 23 N CA -0.350 52.575 53.050 -0.209 0.000 0.974 23 N CB 0.774 39.040 38.487 -0.370 0.000 1.089 23 N HN 0.229 8.609 8.380 -0.000 0.000 0.465 24 L N 3.837 124.875 121.223 -0.308 0.000 2.318 24 L HA 0.454 4.793 4.340 -0.002 0.000 0.277 24 L C -1.331 175.392 176.870 -0.245 0.000 1.008 24 L CA -0.495 54.232 54.840 -0.188 0.000 0.846 24 L CB 0.051 42.042 42.059 -0.114 0.000 1.220 24 L HN 0.286 8.516 8.230 -0.000 0.000 0.423 25 F N 4.202 124.254 119.950 0.170 0.000 2.404 25 F HA 0.334 4.859 4.527 -0.003 0.000 0.359 25 F C 0.409 176.304 175.800 0.159 0.000 1.134 25 F CA -0.219 57.905 58.000 0.207 0.000 1.160 25 F CB 0.343 39.546 39.000 0.338 0.000 1.186 25 F HN 0.344 8.644 8.300 -0.000 0.000 0.526 26 C N 4.622 123.932 119.300 0.017 0.000 2.329 26 C HA 0.574 5.032 4.460 -0.002 0.000 0.329 26 C C -0.158 174.692 174.990 -0.235 0.000 1.275 26 C CA -1.082 57.761 59.018 -0.292 0.000 1.726 26 C CB -0.244 26.778 27.740 -1.196 0.000 2.291 26 C HN 0.575 8.805 8.230 -0.000 0.000 0.514 27 F N 4.661 124.748 119.950 0.228 0.000 2.436 27 F HA 0.499 5.024 4.527 -0.003 0.000 0.340 27 F C -1.691 174.520 175.800 0.684 0.000 1.113 27 F CA -2.112 56.128 58.000 0.399 0.000 1.022 27 F CB 1.415 40.533 39.000 0.196 0.000 1.128 27 F HN 0.387 8.687 8.300 -0.000 0.000 0.466 28 P HA 0.256 4.676 4.420 -0.000 0.000 0.278 28 P C -2.778 174.776 177.300 0.423 0.000 1.258 28 P CA -1.820 61.629 63.100 0.583 0.000 0.811 28 P CB 0.889 32.875 31.700 0.477 0.000 1.063 29 P HA 0.132 4.552 4.420 -0.000 0.000 0.277 29 P C 1.123 178.368 177.300 -0.091 0.000 1.276 29 P CA -0.309 62.720 63.100 -0.118 0.000 0.788 29 P CB 0.599 32.104 31.700 -0.325 0.000 1.114 30 I N 0.683 121.030 120.570 -0.372 0.000 2.567 30 I HA -0.252 3.917 4.170 -0.002 0.000 0.257 30 I C 2.332 178.397 176.117 -0.087 0.000 1.184 30 I CA 1.774 62.755 61.300 -0.532 0.000 1.451 30 I CB -0.911 36.716 38.000 -0.622 0.000 1.089 30 I HN 0.337 8.547 8.210 -0.000 0.000 0.441 31 S N 0.264 115.964 115.700 0.001 0.000 2.402 31 S HA -0.110 4.358 4.470 -0.002 0.000 0.233 31 S C 1.986 176.745 174.600 0.265 0.000 1.030 31 S CA 1.039 59.328 58.200 0.148 0.000 1.003 31 S CB -1.001 62.291 63.200 0.155 0.000 0.813 31 S HN 0.785 9.095 8.310 -0.000 0.000 0.477 32 G N -0.212 108.754 108.800 0.278 0.000 2.194 32 G HA2 -0.202 3.756 3.960 -0.002 0.000 0.236 32 G HA3 -0.202 3.756 3.960 -0.002 0.000 0.236 32 G C -0.104 174.784 174.900 -0.020 0.000 0.987 32 G CA 0.083 45.308 45.100 0.209 0.000 0.635 32 G HN 0.519 8.809 8.290 -0.000 0.000 0.520 33 F N 0.514 120.643 119.950 0.297 0.000 2.469 33 F HA 0.600 5.125 4.527 -0.003 0.000 0.332 33 F C 1.594 177.665 175.800 0.452 0.000 1.103 33 F CA 0.094 58.289 58.000 0.325 0.000 0.979 33 F CB 1.840 40.915 39.000 0.126 0.000 1.137 33 F HN 0.003 8.303 8.300 -0.000 0.000 0.463 34 G N 1.930 111.250 108.800 0.867 0.000 2.470 34 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.220 34 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.220 34 G C 1.567 176.747 174.900 0.465 0.000 1.121 34 G CA 0.548 45.998 45.100 0.584 0.000 0.766 34 G HN 0.635 8.925 8.290 -0.000 0.000 0.553 35 I N -0.254 120.557 120.570 0.402 0.000 2.657 35 I HA -0.129 4.039 4.170 -0.002 0.000 0.261 35 I C 2.161 178.364 176.117 0.143 0.000 1.212 35 I CA 0.349 61.784 61.300 0.225 0.000 1.453 35 I CB -0.306 37.786 38.000 0.153 0.000 1.092 35 I HN 0.339 8.549 8.210 -0.000 0.000 0.452 36 Y N 0.501 120.822 120.300 0.036 0.000 2.181 36 Y HA -0.308 4.241 4.550 -0.002 0.000 0.284 36 Y C 1.643 177.363 175.900 -0.300 0.000 1.179 36 Y CA 1.859 59.849 58.100 -0.183 0.000 1.179 36 Y CB -0.474 37.783 38.460 -0.338 0.000 0.973 36 Y HN 0.212 8.492 8.280 -0.000 0.000 0.519 37 F N 0.082 120.079 119.950 0.078 0.000 2.769 37 F HA 0.113 4.638 4.527 -0.002 0.000 0.304 37 F C 1.951 177.692 175.800 -0.099 0.000 1.158 37 F CA 0.271 58.258 58.000 -0.022 0.000 1.398 37 F CB -0.397 38.646 39.000 0.071 0.000 1.094 37 F HN -0.071 8.229 8.300 -0.000 0.000 0.553 38 K N 1.112 121.503 120.400 -0.015 0.000 2.063 38 K HA -0.188 4.131 4.320 -0.002 0.000 0.208 38 K C 1.468 178.024 176.600 -0.074 0.000 1.048 38 K CA 1.884 58.146 56.287 -0.042 0.000 0.928 38 K CB -0.468 31.998 32.500 -0.058 0.000 0.713 38 K HN 0.075 8.325 8.250 -0.000 0.000 0.442 39 D N -0.119 120.204 120.400 -0.128 0.000 2.117 39 D HA -0.124 4.515 4.640 -0.002 0.000 0.198 39 D C 1.796 178.047 176.300 -0.081 0.000 0.982 39 D CA 0.864 54.794 54.000 -0.118 0.000 0.828 39 D CB -0.276 40.428 40.800 -0.159 0.000 0.967 39 D HN 0.163 8.533 8.370 -0.000 0.000 0.464 40 L N 1.006 122.198 121.223 -0.052 0.000 2.042 40 L HA -0.116 4.222 4.340 -0.002 0.000 0.210 40 L C 2.067 178.920 176.870 -0.029 0.000 1.076 40 L CA 1.873 56.709 54.840 -0.008 0.000 0.749 40 L CB -0.816 41.301 42.059 0.096 0.000 0.893 40 L HN -0.011 8.219 8.230 -0.000 0.000 0.432 41 A N -0.720 122.083 122.820 -0.029 0.000 1.933 41 A HA -0.161 4.158 4.320 -0.002 0.000 0.218 41 A C 2.270 179.801 177.584 -0.089 0.000 1.175 41 A CA 1.920 53.912 52.037 -0.075 0.000 0.628 41 A CB -0.856 18.095 19.000 -0.083 0.000 0.814 41 A HN 0.516 8.666 8.150 -0.000 0.000 0.444 42 L N -0.761 120.416 121.223 -0.077 0.000 2.046 42 L HA -0.219 4.120 4.340 -0.002 0.000 0.208 42 L C 2.837 179.665 176.870 -0.069 0.000 1.077 42 L CA 1.208 56.002 54.840 -0.077 0.000 0.747 42 L CB -0.478 41.538 42.059 -0.071 0.000 0.896 42 L HN 0.369 8.599 8.230 -0.000 0.000 0.432 43 Q N -0.133 119.628 119.800 -0.065 0.000 2.170 43 Q HA -0.092 4.247 4.340 -0.002 0.000 0.203 43 Q C 1.986 177.953 176.000 -0.056 0.000 0.976 43 Q CA 1.253 57.021 55.803 -0.058 0.000 0.858 43 Q CB -0.067 28.637 28.738 -0.057 0.000 0.907 43 Q HN 0.536 8.806 8.270 -0.000 0.000 0.433 44 L N 0.817 122.001 121.223 -0.065 0.000 2.653 44 L HA 0.132 4.470 4.340 -0.002 0.000 0.231 44 L C 0.436 177.258 176.870 -0.081 0.000 1.153 44 L CA -0.502 54.297 54.840 -0.068 0.000 0.933 44 L CB -0.093 41.920 42.059 -0.077 0.000 1.175 44 L HN 0.017 8.247 8.230 -0.000 0.000 0.473 45 N N 0.681 119.327 118.700 -0.090 0.000 2.447 45 N HA -0.088 4.651 4.740 -0.002 0.000 0.263 45 N C 0.649 176.118 175.510 -0.067 0.000 1.226 45 N CA 0.585 53.550 53.050 -0.143 0.000 0.906 45 N CB 0.046 38.449 38.487 -0.141 0.000 1.060 45 N HN 0.153 8.533 8.380 -0.000 0.000 0.468 46 H N 0.863 119.897 119.070 -0.060 0.000 2.921 46 H HA -0.188 4.367 4.556 -0.002 0.000 0.281 46 H C 0.241 175.541 175.328 -0.046 0.000 1.165 46 H CA 1.390 57.408 56.048 -0.050 0.000 1.151 46 H CB -0.820 28.917 29.762 -0.042 0.000 1.311 46 H HN 0.691 8.971 8.280 -0.000 0.000 0.361 47 K N -0.673 119.739 120.400 0.020 0.000 2.424 47 K HA 0.564 4.882 4.320 -0.002 0.000 0.200 47 K C 0.615 177.199 176.600 -0.027 0.000 1.279 47 K CA 0.859 57.145 56.287 -0.002 0.000 0.918 47 K CB 1.233 33.723 32.500 -0.016 0.000 1.287 47 K HN 0.174 8.424 8.250 -0.000 0.000 0.502 48 A N 0.773 123.559 122.820 -0.057 0.000 2.549 48 A HA 0.758 5.077 4.320 -0.002 0.000 0.297 48 A C -1.642 175.874 177.584 -0.112 0.000 1.061 48 A CA -0.768 51.226 52.037 -0.072 0.000 0.690 48 A CB 1.604 20.560 19.000 -0.074 0.000 1.287 48 A HN 0.134 8.284 8.150 -0.000 0.000 0.402 49 A N 1.187 123.938 122.820 -0.114 0.000 2.269 49 A HA 0.580 4.899 4.320 -0.002 0.000 0.302 49 A C -0.391 177.048 177.584 -0.240 0.000 1.266 49 A CA -0.270 51.657 52.037 -0.183 0.000 0.894 49 A CB -0.061 18.886 19.000 -0.087 0.000 1.147 49 A HN 1.190 9.340 8.150 -0.000 0.000 0.537 50 V N 4.121 123.835 119.914 -0.334 0.000 2.383 50 V HA 0.239 4.357 4.120 -0.002 0.000 0.275 50 V C -0.951 174.862 176.094 -0.470 0.000 1.036 50 V CA -0.112 62.010 62.300 -0.297 0.000 0.889 50 V CB 0.294 31.997 31.823 -0.201 0.000 0.985 50 V HN 0.742 8.932 8.190 -0.000 0.000 0.459 51 Y N 2.580 122.701 120.300 -0.300 0.000 2.342 51 Y HA 0.622 5.171 4.550 -0.003 0.000 0.338 51 Y C 0.854 176.563 175.900 -0.317 0.000 0.965 51 Y CA -0.487 57.433 58.100 -0.300 0.000 1.159 51 Y CB 1.894 40.169 38.460 -0.310 0.000 1.157 51 Y HN 0.670 8.950 8.280 -0.000 0.000 0.486 52 G N 4.241 112.966 108.800 -0.125 0.000 2.428 52 G HA2 0.436 4.395 3.960 -0.002 0.000 0.320 52 G HA3 0.436 4.395 3.960 -0.002 0.000 0.320 52 G C -1.006 173.838 174.900 -0.093 0.000 1.098 52 G CA -0.286 44.835 45.100 0.035 0.000 0.984 52 G HN 0.387 8.677 8.290 -0.000 0.000 0.444 53 F N 1.855 121.760 119.950 -0.076 0.000 2.410 53 F HA 0.307 4.833 4.527 -0.002 0.000 0.334 53 F C 1.192 177.027 175.800 0.059 0.000 1.134 53 F CA -0.177 57.732 58.000 -0.151 0.000 1.227 53 F CB 0.999 39.704 39.000 -0.491 0.000 1.194 53 F HN 0.391 8.691 8.300 -0.000 0.000 0.571 54 H N 1.524 120.843 119.070 0.414 0.000 2.495 54 H HA 0.154 4.708 4.556 -0.002 0.000 0.350 54 H C -0.647 174.835 175.328 0.256 0.000 1.202 54 H CA -1.144 55.066 56.048 0.269 0.000 1.322 54 H CB 0.487 30.353 29.762 0.173 0.000 1.544 54 H HN 0.451 8.731 8.280 -0.000 0.000 0.565 55 F N 1.719 121.697 119.950 0.047 0.000 2.506 55 F HA 0.170 4.696 4.527 -0.002 0.000 0.371 55 F C -0.007 175.695 175.800 -0.164 0.000 1.078 55 F CA -0.339 57.541 58.000 -0.199 0.000 1.195 55 F CB -0.236 38.380 39.000 -0.641 0.000 1.099 55 F HN 0.296 8.596 8.300 -0.000 0.000 0.548 56 I N 7.235 127.203 120.570 -1.004 0.000 2.342 56 I HA 0.098 4.266 4.170 -0.002 0.000 0.291 56 I C 0.937 176.323 176.117 -1.218 0.000 1.010 56 I CA -0.037 60.663 61.300 -0.999 0.000 1.308 56 I CB 1.367 38.716 38.000 -1.085 0.000 1.400 56 I HN 0.692 8.902 8.210 -0.000 0.000 0.488 57 E N 3.620 123.416 120.200 -0.674 0.000 2.216 57 E HA -0.057 4.291 4.350 -0.002 0.000 0.192 57 E C -0.018 176.421 176.600 -0.268 0.000 0.988 57 E CA 0.452 56.633 56.400 -0.365 0.000 0.834 57 E CB 0.211 29.865 29.700 -0.077 0.000 0.772 57 E HN 0.615 8.975 8.360 -0.000 0.000 0.479 58 E N 1.308 121.325 120.200 -0.305 0.000 2.398 58 E HA -0.045 4.303 4.350 -0.002 0.000 0.263 58 E C 0.176 176.646 176.600 -0.218 0.000 1.046 58 E CA -0.210 56.065 56.400 -0.210 0.000 0.908 58 E CB 0.555 30.128 29.700 -0.210 0.000 0.963 58 E HN 0.058 8.418 8.360 -0.000 0.000 0.431 59 D N 0.744 121.074 120.400 -0.117 0.000 2.348 59 D HA -0.098 4.541 4.640 -0.002 0.000 0.216 59 D C 1.270 177.507 176.300 -0.105 0.000 0.970 59 D CA 0.811 54.766 54.000 -0.075 0.000 0.889 59 D CB -0.021 40.770 40.800 -0.014 0.000 0.912 59 D HN 0.331 8.701 8.370 -0.000 0.000 0.524 60 S N 0.555 116.167 115.700 -0.147 0.000 2.671 60 S HA -0.006 4.463 4.470 -0.002 0.000 0.220 60 S C 1.703 176.152 174.600 -0.252 0.000 0.951 60 S CA -0.503 57.603 58.200 -0.157 0.000 0.932 60 S CB -0.110 63.009 63.200 -0.136 0.000 0.777 60 S HN 0.314 8.624 8.310 -0.000 0.000 0.508 61 R N 1.302 121.595 120.500 -0.346 0.000 2.113 61 R HA -0.131 4.207 4.340 -0.002 0.000 0.244 61 R C 1.586 177.596 176.300 -0.483 0.000 1.142 61 R CA 1.702 57.453 56.100 -0.582 0.000 0.953 61 R CB -0.969 28.932 30.300 -0.665 0.000 0.860 61 R HN 0.362 8.632 8.270 -0.000 0.000 0.438 62 I N 1.664 122.118 120.570 -0.194 0.000 2.179 62 I HA -0.183 3.985 4.170 -0.002 0.000 0.242 62 I C 2.444 178.497 176.117 -0.106 0.000 1.088 62 I CA 1.389 62.660 61.300 -0.048 0.000 1.357 62 I CB -1.181 36.805 38.000 -0.024 0.000 1.051 62 I HN 0.230 8.440 8.210 -0.000 0.000 0.409 63 E N 0.817 120.936 120.200 -0.135 0.000 2.085 63 E HA -0.232 4.117 4.350 -0.002 0.000 0.194 63 E C 2.168 178.676 176.600 -0.153 0.000 0.994 63 E CA 1.145 57.468 56.400 -0.128 0.000 0.801 63 E CB -0.297 29.337 29.700 -0.110 0.000 0.743 63 E HN 0.606 8.966 8.360 -0.000 0.000 0.453 64 Q N -0.670 118.992 119.800 -0.230 0.000 2.119 64 Q HA -0.156 4.183 4.340 -0.002 0.000 0.201 64 Q C 2.039 177.918 176.000 -0.202 0.000 0.972 64 Q CA 1.107 56.767 55.803 -0.239 0.000 0.847 64 Q CB -0.213 28.314 28.738 -0.351 0.000 0.903 64 Q HN 0.353 8.623 8.270 -0.000 0.000 0.433 65 Y N -0.003 120.171 120.300 -0.209 0.000 2.163 65 Y HA -0.198 4.350 4.550 -0.003 0.000 0.288 65 Y C 2.382 178.113 175.900 -0.282 0.000 1.136 65 Y CA 0.624 58.532 58.100 -0.320 0.000 1.147 65 Y CB -0.716 37.522 38.460 -0.370 0.000 0.987 65 Y HN -0.114 8.166 8.280 -0.000 0.000 0.509 66 V N -0.971 118.885 119.914 -0.097 0.000 2.287 66 V HA -0.306 3.813 4.120 -0.002 0.000 0.248 66 V C 2.323 178.314 176.094 -0.172 0.000 1.053 66 V CA 2.154 64.341 62.300 -0.188 0.000 1.027 66 V CB -1.027 30.691 31.823 -0.176 0.000 0.646 66 V HN 0.337 8.527 8.190 -0.000 0.000 0.447 67 S N -0.428 115.204 115.700 -0.114 0.000 2.370 67 S HA -0.252 4.217 4.470 -0.002 0.000 0.226 67 S C 2.143 176.708 174.600 -0.059 0.000 1.033 67 S CA 1.920 60.070 58.200 -0.083 0.000 1.011 67 S CB -0.376 62.787 63.200 -0.062 0.000 0.852 67 S HN 0.486 8.796 8.310 -0.000 0.000 0.457 68 R N 1.488 121.981 120.500 -0.012 0.000 2.073 68 R HA 0.150 4.489 4.340 -0.002 0.000 0.229 68 R C 1.961 178.246 176.300 -0.025 0.000 1.120 68 R CA 1.232 57.367 56.100 0.059 0.000 0.967 68 R CB -0.849 29.608 30.300 0.261 0.000 0.862 68 R HN 0.439 8.709 8.270 -0.000 0.000 0.436 69 I N 0.283 120.758 120.570 -0.157 0.000 2.163 69 I HA -0.308 3.861 4.170 -0.002 0.000 0.243 69 I C 1.962 177.869 176.117 -0.350 0.000 1.085 69 I CA 2.088 63.060 61.300 -0.546 0.000 1.347 69 I CB -0.603 36.893 38.000 -0.840 0.000 1.044 69 I HN 0.388 8.598 8.210 -0.000 0.000 0.408 70 T N -2.619 111.784 114.554 -0.252 0.000 3.055 70 T HA -0.047 4.301 4.350 -0.002 0.000 0.265 70 T C 1.576 176.274 174.700 -0.004 0.000 1.111 70 T CA 0.647 62.691 62.100 -0.093 0.000 1.118 70 T CB -0.197 68.609 68.868 -0.104 0.000 0.909 70 T HN 0.380 8.620 8.240 -0.000 0.000 0.501 71 E N 0.844 121.028 120.200 -0.027 0.000 2.047 71 E HA 0.023 4.371 4.350 -0.002 0.000 0.191 71 E C 2.072 178.686 176.600 0.022 0.000 0.987 71 E CA 1.032 57.434 56.400 0.004 0.000 0.799 71 E CB -0.208 29.493 29.700 0.002 0.000 0.752 71 E HN 0.541 8.901 8.360 -0.000 0.000 0.449 72 I N 0.266 120.843 120.570 0.011 0.000 2.252 72 I HA -0.205 3.963 4.170 -0.002 0.000 0.245 72 I C 1.602 177.774 176.117 0.092 0.000 1.102 72 I CA 0.970 62.284 61.300 0.023 0.000 1.385 72 I CB 0.204 38.166 38.000 -0.063 0.000 1.064 72 I HN 0.012 8.222 8.210 -0.000 0.000 0.414 73 Q N 0.606 120.502 119.800 0.161 0.000 2.771 73 Q HA 0.217 4.556 4.340 -0.002 0.000 0.247 73 Q C -2.106 174.035 176.000 0.235 0.000 0.986 73 Q CA -1.682 54.258 55.803 0.227 0.000 0.713 73 Q CB 1.580 30.559 28.738 0.402 0.000 1.241 73 Q HN 0.002 8.272 8.270 -0.000 0.000 0.488 74 P HA -0.097 4.323 4.420 -0.000 0.000 0.222 74 P C -0.513 176.864 177.300 0.127 0.000 1.147 74 P CA 1.070 64.241 63.100 0.118 0.000 0.790 74 P CB 0.372 32.111 31.700 0.064 0.000 0.780 75 E N -0.319 119.916 120.200 0.058 0.000 2.171 75 E HA 0.433 4.781 4.350 -0.002 0.000 0.271 75 E C 0.652 177.086 176.600 -0.278 0.000 0.916 75 E CA -0.608 55.775 56.400 -0.029 0.000 0.774 75 E CB 1.532 31.208 29.700 -0.041 0.000 1.128 75 E HN -0.061 8.299 8.360 -0.000 0.000 0.403 76 G N 2.833 111.397 108.800 -0.392 0.000 2.611 76 G HA2 0.322 4.280 3.960 -0.002 0.000 0.273 76 G HA3 0.322 4.280 3.960 -0.002 0.000 0.273 76 G C -1.985 172.701 174.900 -0.356 0.000 1.305 76 G CA -0.564 44.082 45.100 -0.758 0.000 1.010 76 G HN 0.318 8.608 8.290 -0.000 0.000 0.509 77 P HA 0.327 4.747 4.420 -0.000 0.000 0.276 77 P C -1.472 175.584 177.300 -0.407 0.000 1.261 77 P CA -0.314 62.631 63.100 -0.258 0.000 0.800 77 P CB 0.720 32.384 31.700 -0.060 0.000 1.066 78 Y N -1.376 118.978 120.300 0.090 0.000 2.446 78 Y HA 0.477 5.026 4.550 -0.002 0.000 0.338 78 Y C 0.184 176.183 175.900 0.165 0.000 1.055 78 Y CA -0.859 57.332 58.100 0.152 0.000 1.101 78 Y CB 2.053 40.575 38.460 0.104 0.000 1.221 78 Y HN -0.041 8.239 8.280 -0.000 0.000 0.460 79 V N 4.336 124.484 119.914 0.390 0.000 2.487 79 V HA 0.432 4.550 4.120 -0.002 0.000 0.298 79 V C -0.809 175.521 176.094 0.394 0.000 1.028 79 V CA -0.706 61.776 62.300 0.304 0.000 0.860 79 V CB 1.401 33.331 31.823 0.179 0.000 0.991 79 V HN 0.475 8.665 8.190 -0.000 0.000 0.427 80 L N 4.831 126.282 121.223 0.381 0.000 2.330 80 L HA 0.725 5.064 4.340 -0.002 0.000 0.271 80 L C -0.542 176.631 176.870 0.506 0.000 1.013 80 L CA -0.296 54.812 54.840 0.447 0.000 0.816 80 L CB 1.860 44.090 42.059 0.285 0.000 1.287 80 L HN 0.625 8.855 8.230 -0.000 0.000 0.435 81 L N 0.481 121.984 121.223 0.466 0.000 2.422 81 L HA 0.957 5.295 4.340 -0.002 0.000 0.264 81 L C -0.696 176.462 176.870 0.479 0.000 0.984 81 L CA -0.124 54.924 54.840 0.347 0.000 0.819 81 L CB 2.133 44.269 42.059 0.129 0.000 1.330 81 L HN 0.619 8.849 8.230 -0.000 0.000 0.410 82 G N 1.997 111.050 108.800 0.422 0.000 2.687 82 G HA2 0.436 4.394 3.960 -0.002 0.000 0.301 82 G HA3 0.436 4.394 3.960 -0.002 0.000 0.301 82 G C -2.470 172.689 174.900 0.432 0.000 1.416 82 G CA -0.355 45.048 45.100 0.505 0.000 1.005 82 G HN 0.523 8.813 8.290 -0.000 0.000 0.509 83 Y N 3.144 123.691 120.300 0.411 0.000 2.341 83 Y HA 0.571 5.120 4.550 -0.002 0.000 0.337 83 Y C 0.915 176.943 175.900 0.214 0.000 1.014 83 Y CA 0.327 58.594 58.100 0.278 0.000 1.111 83 Y CB 1.645 40.295 38.460 0.318 0.000 1.194 83 Y HN 1.075 9.355 8.280 -0.000 0.000 0.462 84 S N 3.220 118.658 115.700 -0.437 0.000 4.059 84 S HA -0.390 4.078 4.470 -0.002 0.000 0.624 84 S C 1.623 176.209 174.600 -0.024 0.000 2.019 84 S CA 2.280 60.280 58.200 -0.333 0.000 4.197 84 S CB -1.690 61.043 63.200 -0.779 0.000 0.215 84 S HN 1.724 10.034 8.310 -0.000 0.000 0.609 85 A N 0.941 123.658 122.820 -0.171 0.000 1.986 85 A HA 0.054 4.373 4.320 -0.002 0.000 0.220 85 A C 2.548 180.335 177.584 0.339 0.000 1.171 85 A CA 2.667 54.647 52.037 -0.095 0.000 0.640 85 A CB -1.671 16.901 19.000 -0.712 0.000 0.811 85 A HN 1.722 9.872 8.150 -0.000 0.000 0.451 86 G N -0.791 108.228 108.800 0.365 0.000 2.448 86 G HA2 0.040 3.998 3.960 -0.002 0.000 0.219 86 G HA3 0.040 3.998 3.960 -0.002 0.000 0.219 86 G C 1.443 176.650 174.900 0.511 0.000 1.127 86 G CA 1.210 46.647 45.100 0.560 0.000 0.766 86 G HN 0.711 9.001 8.290 -0.000 0.000 0.552 87 G N 1.030 110.087 108.800 0.429 0.000 2.418 87 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.217 87 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.217 87 G C 1.664 176.893 174.900 0.548 0.000 1.158 87 G CA 1.135 46.486 45.100 0.418 0.000 0.771 87 G HN 0.558 8.848 8.290 -0.000 0.000 0.545 88 N N 0.067 119.126 118.700 0.600 0.000 2.142 88 N HA -0.062 4.677 4.740 -0.002 0.000 0.186 88 N C 1.947 177.771 175.510 0.524 0.000 1.023 88 N CA 0.944 54.355 53.050 0.602 0.000 0.852 88 N CB -0.206 38.623 38.487 0.571 0.000 0.998 88 N HN 0.258 8.638 8.380 -0.000 0.000 0.424 89 L N 1.138 122.685 121.223 0.541 0.000 2.017 89 L HA 0.012 4.350 4.340 -0.002 0.000 0.208 89 L C 2.081 178.962 176.870 0.018 0.000 1.073 89 L CA 1.504 56.598 54.840 0.423 0.000 0.745 89 L CB -0.930 41.443 42.059 0.523 0.000 0.894 89 L HN 0.161 8.391 8.230 -0.000 0.000 0.432 90 A N -1.096 121.665 122.820 -0.098 0.000 1.972 90 A HA -0.251 4.068 4.320 -0.002 0.000 0.219 90 A C 2.279 179.548 177.584 -0.525 0.000 1.169 90 A CA 1.669 53.343 52.037 -0.604 0.000 0.635 90 A CB -1.210 17.653 19.000 -0.228 0.000 0.810 90 A HN 0.569 8.719 8.150 -0.000 0.000 0.446 91 F N 1.174 120.956 119.950 -0.280 0.000 2.126 91 F HA -0.200 4.326 4.527 -0.002 0.000 0.299 91 F C 2.236 177.917 175.800 -0.199 0.000 1.096 91 F CA 2.162 60.011 58.000 -0.253 0.000 1.255 91 F CB -0.004 39.132 39.000 0.228 0.000 0.997 91 F HN 0.245 8.545 8.300 -0.000 0.000 0.479 92 E N 0.100 120.311 120.200 0.018 0.000 2.110 92 E HA -0.147 4.201 4.350 -0.002 0.000 0.193 92 E C 2.538 179.006 176.600 -0.220 0.000 0.988 92 E CA 1.426 57.796 56.400 -0.050 0.000 0.804 92 E CB -0.868 28.911 29.700 0.131 0.000 0.745 92 E HN 0.374 8.734 8.360 -0.000 0.000 0.458 93 V N 1.170 120.875 119.914 -0.348 0.000 2.358 93 V HA -0.199 3.920 4.120 -0.002 0.000 0.246 93 V C 2.609 178.449 176.094 -0.423 0.000 1.047 93 V CA 1.187 63.240 62.300 -0.412 0.000 1.035 93 V CB -0.591 30.828 31.823 -0.673 0.000 0.658 93 V HN 0.046 8.236 8.190 -0.000 0.000 0.452 94 V N -0.323 119.261 119.914 -0.550 0.000 2.287 94 V HA -0.368 3.750 4.120 -0.002 0.000 0.248 94 V C 2.511 178.365 176.094 -0.399 0.000 1.053 94 V CA 2.266 64.262 62.300 -0.507 0.000 1.027 94 V CB -0.777 30.636 31.823 -0.682 0.000 0.646 94 V HN 0.573 8.763 8.190 -0.000 0.000 0.447 95 Q N -0.520 119.003 119.800 -0.461 0.000 2.096 95 Q HA -0.226 4.112 4.340 -0.002 0.000 0.204 95 Q C 2.420 178.289 176.000 -0.219 0.000 0.982 95 Q CA 1.878 57.476 55.803 -0.342 0.000 0.850 95 Q CB -0.409 28.116 28.738 -0.355 0.000 0.901 95 Q HN 0.702 8.972 8.270 -0.000 0.000 0.422 96 A N 0.547 123.242 122.820 -0.209 0.000 1.902 96 A HA -0.192 4.126 4.320 -0.002 0.000 0.217 96 A C 2.029 179.520 177.584 -0.155 0.000 1.181 96 A CA 1.389 53.333 52.037 -0.156 0.000 0.623 96 A CB -0.454 18.460 19.000 -0.142 0.000 0.818 96 A HN 0.295 8.445 8.150 -0.000 0.000 0.443 97 M N -0.916 118.568 119.600 -0.194 0.000 2.099 97 M HA -0.163 4.316 4.480 -0.002 0.000 0.262 97 M C 2.086 178.312 176.300 -0.123 0.000 1.067 97 M CA 1.719 56.910 55.300 -0.182 0.000 1.124 97 M CB -0.438 32.020 32.600 -0.236 0.000 1.353 97 M HN 0.473 8.763 8.290 -0.000 0.000 0.410 98 E N -0.168 119.957 120.200 -0.125 0.000 2.110 98 E HA -0.252 4.097 4.350 -0.002 0.000 0.193 98 E C 2.011 178.570 176.600 -0.069 0.000 0.988 98 E CA 1.034 57.384 56.400 -0.084 0.000 0.804 98 E CB -0.129 29.512 29.700 -0.099 0.000 0.745 98 E HN 0.366 8.726 8.360 -0.000 0.000 0.458 99 Q N 1.333 121.083 119.800 -0.083 0.000 2.226 99 Q HA -0.113 4.225 4.340 -0.002 0.000 0.204 99 Q C 1.251 177.220 176.000 -0.052 0.000 0.975 99 Q CA 1.374 57.139 55.803 -0.063 0.000 0.866 99 Q CB 0.131 28.829 28.738 -0.068 0.000 0.915 99 Q HN 0.047 8.317 8.270 -0.000 0.000 0.440 100 K N -1.519 118.845 120.400 -0.060 0.000 2.487 100 K HA 0.152 4.471 4.320 -0.002 0.000 0.192 100 K C 0.719 177.301 176.600 -0.031 0.000 1.027 100 K CA 0.522 56.779 56.287 -0.049 0.000 1.054 100 K CB 0.215 32.677 32.500 -0.065 0.000 0.824 100 K HN 0.374 8.624 8.250 -0.000 0.000 0.510 101 G N 1.264 110.049 108.800 -0.025 0.000 2.157 101 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.248 101 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.248 101 G C 0.053 174.961 174.900 0.014 0.000 0.979 101 G CA -0.260 44.837 45.100 -0.006 0.000 0.650 101 G HN 0.140 8.430 8.290 -0.000 0.000 0.529 102 L N 0.438 121.668 121.223 0.012 0.000 2.436 102 L HA 0.495 4.834 4.340 -0.002 0.000 0.265 102 L C 0.822 177.747 176.870 0.092 0.000 1.168 102 L CA -0.449 54.435 54.840 0.073 0.000 0.815 102 L CB 1.053 43.131 42.059 0.032 0.000 1.109 102 L HN 0.265 8.495 8.230 -0.000 0.000 0.462 103 E N 1.710 122.004 120.200 0.156 0.000 2.081 103 E HA 0.294 4.642 4.350 -0.002 0.000 0.281 103 E C -1.379 175.338 176.600 0.194 0.000 0.986 103 E CA -0.577 55.895 56.400 0.120 0.000 0.796 103 E CB 1.285 31.026 29.700 0.070 0.000 1.085 103 E HN 0.305 8.665 8.360 -0.000 0.000 0.398 104 V N 5.142 125.138 119.914 0.136 0.000 2.318 104 V HA 0.011 4.130 4.120 -0.002 0.000 0.271 104 V C 1.254 177.424 176.094 0.127 0.000 1.030 104 V CA 0.023 62.415 62.300 0.153 0.000 0.844 104 V CB 0.816 32.677 31.823 0.064 0.000 1.015 104 V HN 0.839 9.029 8.190 -0.000 0.000 0.460 105 S N 2.594 118.376 115.700 0.136 0.000 2.371 105 S HA 0.030 4.499 4.470 -0.002 0.000 0.224 105 S C 0.429 175.128 174.600 0.164 0.000 1.029 105 S CA 0.524 58.796 58.200 0.121 0.000 0.978 105 S CB 0.114 63.371 63.200 0.096 0.000 0.833 105 S HN 0.735 9.045 8.310 -0.000 0.000 0.466 106 D N -0.324 120.202 120.400 0.209 0.000 2.859 106 D HA 0.415 5.053 4.640 -0.002 0.000 0.223 106 D C -2.140 174.376 176.300 0.360 0.000 1.218 106 D CA -0.420 53.758 54.000 0.297 0.000 0.850 106 D CB 1.965 42.946 40.800 0.301 0.000 1.656 106 D HN 0.233 8.603 8.370 -0.000 0.000 0.484 107 F N 2.710 122.770 119.950 0.184 0.000 2.539 107 F HA 0.502 5.027 4.527 -0.003 0.000 0.328 107 F C -1.409 174.472 175.800 0.134 0.000 1.148 107 F CA -0.976 57.096 58.000 0.119 0.000 0.940 107 F CB 0.788 39.820 39.000 0.053 0.000 1.194 107 F HN 0.230 8.530 8.300 -0.000 0.000 0.438 108 I N 7.589 128.132 120.570 -0.044 0.000 2.321 108 I HA 0.363 4.532 4.170 -0.002 0.000 0.291 108 I C -0.490 175.357 176.117 -0.450 0.000 0.998 108 I CA -0.460 60.725 61.300 -0.191 0.000 1.227 108 I CB 1.267 39.224 38.000 -0.072 0.000 1.368 108 I HN 0.422 8.632 8.210 -0.000 0.000 0.466 109 I N 7.175 127.447 120.570 -0.496 0.000 2.354 109 I HA 0.285 4.454 4.170 -0.002 0.000 0.286 109 I C -0.487 175.536 176.117 -0.157 0.000 1.007 109 I CA -0.772 60.246 61.300 -0.470 0.000 1.167 109 I CB 1.643 39.201 38.000 -0.737 0.000 1.320 109 I HN 0.197 8.407 8.210 -0.000 0.000 0.458 110 V N 5.172 125.087 119.914 0.000 0.000 2.304 110 V HA 0.133 4.252 4.120 -0.002 0.000 0.269 110 V C 0.232 176.408 176.094 0.137 0.000 1.036 110 V CA -0.278 62.065 62.300 0.071 0.000 0.840 110 V CB 0.664 32.632 31.823 0.241 0.000 1.036 110 V HN 0.870 9.060 8.190 -0.000 0.000 0.466 111 D N 3.531 123.936 120.400 0.008 0.000 2.686 111 D HA -0.185 4.454 4.640 -0.002 0.000 0.235 111 D C 0.259 176.728 176.300 0.281 0.000 1.160 111 D CA 1.193 55.288 54.000 0.159 0.000 0.645 111 D CB -0.340 40.632 40.800 0.286 0.000 1.039 111 D HN 0.936 9.306 8.370 -0.000 0.000 0.423 112 A N 0.628 123.591 122.820 0.238 0.000 2.337 112 A HA 0.723 5.041 4.320 -0.002 0.000 0.331 112 A C -0.910 176.845 177.584 0.285 0.000 1.137 112 A CA -0.563 51.694 52.037 0.366 0.000 0.807 112 A CB 1.058 20.311 19.000 0.422 0.000 1.250 112 A HN 0.220 8.370 8.150 -0.000 0.000 0.468 113 Y N 0.590 121.161 120.300 0.451 0.000 2.409 113 Y HA 0.400 4.949 4.550 -0.002 0.000 0.343 113 Y C 0.472 176.157 175.900 -0.358 0.000 0.973 113 Y CA -0.588 57.531 58.100 0.032 0.000 1.064 113 Y CB 1.901 40.364 38.460 0.004 0.000 1.207 113 Y HN 0.723 9.003 8.280 -0.000 0.000 0.452 114 K N 3.147 122.844 120.400 -1.172 0.000 2.484 114 K HA 0.003 4.321 4.320 -0.002 0.000 0.280 114 K C -0.459 175.786 176.600 -0.592 0.000 1.013 114 K CA 0.001 55.428 56.287 -1.433 0.000 1.029 114 K CB 0.440 31.943 32.500 -1.662 0.000 0.902 114 K HN 0.644 8.894 8.250 -0.000 0.000 0.481 115 K N 4.283 124.424 120.400 -0.432 0.000 2.266 115 K HA 0.029 4.348 4.320 -0.002 0.000 0.274 115 K C 0.163 176.573 176.600 -0.317 0.000 1.090 115 K CA -0.466 55.622 56.287 -0.333 0.000 0.925 115 K CB 0.604 32.861 32.500 -0.405 0.000 1.225 115 K HN 0.616 8.866 8.250 -0.000 0.000 0.458 116 D N 3.427 123.663 120.400 -0.274 0.000 2.367 116 D HA -0.095 4.543 4.640 -0.002 0.000 0.207 116 D C -0.168 176.020 176.300 -0.186 0.000 1.034 116 D CA 0.344 54.211 54.000 -0.221 0.000 0.861 116 D CB 0.370 41.048 40.800 -0.202 0.000 0.943 116 D HN 0.651 9.021 8.370 -0.000 0.000 0.515 117 Q N 0.387 120.064 119.800 -0.204 0.000 2.421 117 Q HA 0.452 4.790 4.340 -0.002 0.000 0.280 117 Q C -0.881 174.988 176.000 -0.218 0.000 1.085 117 Q CA -0.966 54.731 55.803 -0.176 0.000 0.807 117 Q CB 1.812 30.467 28.738 -0.138 0.000 1.405 117 Q HN -0.028 8.242 8.270 -0.000 0.000 0.419 118 S N 2.133 117.725 115.700 -0.181 0.000 2.580 118 S HA 0.668 5.137 4.470 -0.002 0.000 0.274 118 S C 0.405 174.915 174.600 -0.149 0.000 1.329 118 S CA -0.526 57.561 58.200 -0.188 0.000 1.036 118 S CB 0.222 63.339 63.200 -0.139 0.000 0.919 118 S HN 0.679 8.989 8.310 -0.000 0.000 0.515 119 I N -1.771 118.714 120.570 -0.142 0.000 3.466 119 I HA 0.602 4.770 4.170 -0.002 0.000 0.311 119 I C -0.691 175.404 176.117 -0.036 0.000 1.155 119 I CA -1.293 59.961 61.300 -0.078 0.000 0.959 119 I CB 1.482 39.444 38.000 -0.062 0.000 1.332 119 I HN 0.466 8.676 8.210 -0.000 0.000 0.483 120 T N 2.218 116.768 114.554 -0.007 0.000 2.897 120 T HA 0.526 4.875 4.350 -0.002 0.000 0.294 120 T C 0.288 175.013 174.700 0.042 0.000 1.004 120 T CA -0.210 61.898 62.100 0.012 0.000 1.106 120 T CB 1.112 69.985 68.868 0.009 0.000 0.949 120 T HN 0.764 9.004 8.240 -0.000 0.000 0.520 121 A N 2.613 125.462 122.820 0.049 0.000 2.445 121 A HA 0.326 4.645 4.320 -0.002 0.000 0.242 121 A C 0.540 178.160 177.584 0.061 0.000 1.075 121 A CA -0.426 51.656 52.037 0.075 0.000 0.777 121 A CB 0.108 19.151 19.000 0.072 0.000 1.013 121 A HN 0.839 8.989 8.150 -0.000 0.000 0.493 131 Y N 0.906 121.211 120.300 0.008 0.000 4.881 131 Y HA -0.171 4.377 4.550 -0.002 0.000 0.241 131 Y C -0.048 175.856 175.900 0.006 0.000 0.985 131 Y CA 1.570 59.674 58.100 0.005 0.000 1.976 131 Y CB -2.682 35.779 38.460 0.003 0.000 1.528 131 Y HN 1.299 9.579 8.280 -0.000 0.000 0.581 132 L N 0.291 121.519 121.223 0.009 0.000 2.408 132 L HA 0.690 5.028 4.340 -0.002 0.000 0.268 132 L C -2.366 174.512 176.870 0.013 0.000 0.986 132 L CA -2.196 52.650 54.840 0.011 0.000 0.820 132 L CB 2.224 44.291 42.059 0.014 0.000 1.303 132 L HN 0.109 8.339 8.230 -0.000 0.000 0.411 133 P HA -0.012 4.408 4.420 -0.000 0.000 0.265 133 P C 0.437 177.747 177.300 0.018 0.000 1.187 133 P CA -0.100 63.009 63.100 0.014 0.000 0.766 133 P CB 0.801 32.509 31.700 0.013 0.000 0.820 134 E N 3.330 123.540 120.200 0.018 0.000 2.114 134 E HA -0.263 4.086 4.350 -0.002 0.000 0.199 134 E C 1.798 178.412 176.600 0.025 0.000 1.008 134 E CA 2.252 58.664 56.400 0.021 0.000 0.810 134 E CB -0.885 28.827 29.700 0.020 0.000 0.739 134 E HN 0.482 8.842 8.360 -0.000 0.000 0.456 135 A N -0.214 122.620 122.820 0.023 0.000 1.933 135 A HA -0.119 4.200 4.320 -0.002 0.000 0.218 135 A C 2.508 180.109 177.584 0.029 0.000 1.175 135 A CA 1.675 53.727 52.037 0.026 0.000 0.628 135 A CB -0.517 18.497 19.000 0.022 0.000 0.814 135 A HN 0.201 8.351 8.150 -0.000 0.000 0.444 136 V N -0.086 119.844 119.914 0.026 0.000 2.407 136 V HA -0.170 3.948 4.120 -0.002 0.000 0.245 136 V C 2.577 178.692 176.094 0.034 0.000 1.041 136 V CA 1.818 64.135 62.300 0.028 0.000 1.040 136 V CB -0.819 31.017 31.823 0.020 0.000 0.671 136 V HN 0.641 8.831 8.190 -0.000 0.000 0.455 137 R N 0.628 121.147 120.500 0.031 0.000 2.103 137 R HA -0.262 4.077 4.340 -0.002 0.000 0.242 137 R C 2.385 178.713 176.300 0.047 0.000 1.142 137 R CA 2.324 58.445 56.100 0.036 0.000 0.960 137 R CB -0.308 30.010 30.300 0.031 0.000 0.858 137 R HN 0.767 9.037 8.270 -0.000 0.000 0.439 138 E N -0.576 119.651 120.200 0.046 0.000 2.072 138 E HA -0.145 4.204 4.350 -0.002 0.000 0.191 138 E C 1.443 178.083 176.600 0.066 0.000 0.985 138 E CA 1.786 58.218 56.400 0.053 0.000 0.801 138 E CB -0.146 29.581 29.700 0.045 0.000 0.750 138 E HN 0.261 8.621 8.360 -0.000 0.000 0.452 139 T N 0.727 115.318 114.554 0.062 0.000 2.746 139 T HA -0.094 4.254 4.350 -0.002 0.000 0.267 139 T C 1.934 176.692 174.700 0.097 0.000 1.039 139 T CA 1.250 63.395 62.100 0.074 0.000 1.142 139 T CB -0.145 68.759 68.868 0.060 0.000 0.866 139 T HN 0.037 8.277 8.240 -0.000 0.000 0.444 140 V N 1.258 121.223 119.914 0.086 0.000 2.515 140 V HA -0.061 4.057 4.120 -0.002 0.000 0.250 140 V C 2.068 178.251 176.094 0.148 0.000 1.058 140 V CA 1.199 63.559 62.300 0.100 0.000 1.064 140 V CB -0.375 31.480 31.823 0.054 0.000 0.675 140 V HN 0.433 8.623 8.190 -0.000 0.000 0.461 141 M N -1.034 118.639 119.600 0.123 0.000 2.495 141 M HA 0.093 4.572 4.480 -0.002 0.000 0.237 141 M C 1.799 178.181 176.300 0.136 0.000 1.131 141 M CA 0.525 55.902 55.300 0.129 0.000 1.032 141 M CB -0.731 31.924 32.600 0.091 0.000 1.513 141 M HN 0.416 8.706 8.290 -0.000 0.000 0.488 142 Q N 0.822 120.706 119.800 0.139 0.000 2.084 142 Q HA -0.216 4.122 4.340 -0.002 0.000 0.202 142 Q C 2.031 178.124 176.000 0.155 0.000 0.978 142 Q CA 1.700 57.582 55.803 0.132 0.000 0.844 142 Q CB 0.155 28.966 28.738 0.122 0.000 0.898 142 Q HN 0.458 8.728 8.270 -0.000 0.000 0.426 143 K N 0.565 121.068 120.400 0.171 0.000 2.002 143 K HA -0.218 4.100 4.320 -0.002 0.000 0.209 143 K C 2.184 178.890 176.600 0.176 0.000 1.048 143 K CA 1.678 58.060 56.287 0.159 0.000 0.930 143 K CB -0.110 32.374 32.500 -0.027 0.000 0.714 143 K HN 0.033 8.283 8.250 -0.000 0.000 0.438 144 K N 0.142 120.637 120.400 0.158 0.000 2.057 144 K HA -0.161 4.157 4.320 -0.002 0.000 0.207 144 K C 2.188 178.843 176.600 0.093 0.000 1.049 144 K CA 1.139 57.503 56.287 0.128 0.000 0.931 144 K CB 0.028 32.602 32.500 0.123 0.000 0.714 144 K HN 0.004 8.254 8.250 -0.000 0.000 0.440 145 R N 0.719 121.282 120.500 0.104 0.000 2.083 145 R HA -0.156 4.182 4.340 -0.002 0.000 0.237 145 R C 2.513 178.885 176.300 0.120 0.000 1.137 145 R CA 1.307 57.464 56.100 0.095 0.000 0.951 145 R CB -1.575 28.782 30.300 0.096 0.000 0.851 145 R HN 0.417 8.687 8.270 -0.000 0.000 0.434 146 C N -0.024 119.375 119.300 0.166 0.000 2.429 146 C HA -0.112 4.346 4.460 -0.002 0.000 0.277 146 C C 2.558 177.656 174.990 0.181 0.000 1.262 146 C CA 0.384 59.548 59.018 0.243 0.000 1.733 146 C CB -1.217 26.746 27.740 0.373 0.000 2.010 146 C HN 0.543 8.773 8.230 -0.000 0.000 0.483 147 Y N 0.496 120.613 120.300 -0.306 0.000 2.181 147 Y HA -0.255 4.294 4.550 -0.002 0.000 0.288 147 Y C 2.754 178.537 175.900 -0.194 0.000 1.146 147 Y CA 1.648 59.241 58.100 -0.845 0.000 1.164 147 Y CB -0.270 37.651 38.460 -0.900 0.000 0.982 147 Y HN 0.472 8.752 8.280 -0.000 0.000 0.515 148 Q N 0.088 119.903 119.800 0.025 0.000 2.112 148 Q HA -0.304 4.035 4.340 -0.002 0.000 0.206 148 Q C 2.109 178.206 176.000 0.162 0.000 0.987 148 Q CA 2.148 57.978 55.803 0.046 0.000 0.858 148 Q CB -0.181 28.566 28.738 0.015 0.000 0.905 148 Q HN 0.583 8.853 8.270 -0.000 0.000 0.420 149 E N -0.270 120.030 120.200 0.166 0.000 2.107 149 E HA -0.223 4.126 4.350 -0.002 0.000 0.191 149 E C 1.817 178.543 176.600 0.211 0.000 0.982 149 E CA 0.810 57.312 56.400 0.169 0.000 0.809 149 E CB -0.171 29.624 29.700 0.159 0.000 0.756 149 E HN 0.444 8.804 8.360 -0.000 0.000 0.459 150 Y N -0.487 119.923 120.300 0.184 0.000 2.163 150 Y HA -0.187 4.362 4.550 -0.002 0.000 0.288 150 Y C 1.881 177.920 175.900 0.231 0.000 1.136 150 Y CA 2.008 60.250 58.100 0.237 0.000 1.147 150 Y CB -0.595 38.090 38.460 0.376 0.000 0.987 150 Y HN 0.242 8.522 8.280 -0.000 0.000 0.509 151 W N 1.006 122.316 121.300 0.017 0.000 2.388 151 W HA -0.108 4.549 4.660 -0.004 0.000 0.294 151 W C 2.431 178.868 176.519 -0.137 0.000 1.212 151 W CA 2.558 59.842 57.345 -0.100 0.000 1.271 151 W CB -0.573 28.836 29.460 -0.085 0.000 1.126 151 W HN 0.159 8.339 8.180 -0.000 0.000 0.535 152 A N 0.479 123.354 122.820 0.092 0.000 1.933 152 A HA -0.282 4.037 4.320 -0.002 0.000 0.218 152 A C 1.813 179.269 177.584 -0.213 0.000 1.175 152 A CA 2.201 54.208 52.037 -0.050 0.000 0.628 152 A CB -0.956 18.090 19.000 0.075 0.000 0.814 152 A HN 0.551 8.701 8.150 -0.000 0.000 0.444 153 Q N -0.844 118.845 119.800 -0.185 0.000 2.424 153 Q HA 0.299 4.638 4.340 -0.002 0.000 0.204 153 Q C 0.551 176.387 176.000 -0.274 0.000 0.933 153 Q CA 0.181 55.874 55.803 -0.183 0.000 0.929 153 Q CB -0.622 28.060 28.738 -0.094 0.000 1.037 153 Q HN 0.414 8.684 8.270 -0.000 0.000 0.511 154 L N 1.584 122.546 121.223 -0.436 0.000 2.416 154 L HA 0.386 4.724 4.340 -0.002 0.000 0.272 154 L C -0.916 175.737 176.870 -0.362 0.000 1.161 154 L CA -0.098 54.470 54.840 -0.454 0.000 0.845 154 L CB 0.544 42.226 42.059 -0.627 0.000 1.119 154 L HN 0.268 8.498 8.230 -0.000 0.000 0.464 155 I N 4.833 125.268 120.570 -0.225 0.000 2.447 155 I HA 0.307 4.476 4.170 -0.002 0.000 0.287 155 I C -0.466 175.600 176.117 -0.085 0.000 1.023 155 I CA -0.518 60.674 61.300 -0.180 0.000 1.083 155 I CB 1.464 39.381 38.000 -0.139 0.000 1.245 155 I HN 0.626 8.836 8.210 -0.000 0.000 0.434 156 N N 6.053 124.692 118.700 -0.101 0.000 2.430 156 N HA 0.254 4.993 4.740 -0.002 0.000 0.265 156 N C -0.937 174.565 175.510 -0.013 0.000 1.100 156 N CA -0.368 52.679 53.050 -0.004 0.000 0.961 156 N CB 0.882 39.220 38.487 -0.249 0.000 1.075 156 N HN 0.540 8.920 8.380 -0.000 0.000 0.478 157 E N 1.338 121.638 120.200 0.166 0.000 2.183 157 E HA 0.481 4.830 4.350 -0.002 0.000 0.271 157 E C 0.616 177.359 176.600 0.238 0.000 0.919 157 E CA -0.746 55.727 56.400 0.121 0.000 0.781 157 E CB 1.747 31.497 29.700 0.082 0.000 1.140 157 E HN 0.688 9.048 8.360 -0.000 0.000 0.402 158 G N 3.050 111.941 108.800 0.152 0.000 2.528 158 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.262 158 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.262 158 G C -0.387 174.712 174.900 0.331 0.000 1.200 158 G CA -0.352 44.854 45.100 0.176 0.000 0.951 158 G HN 0.527 8.817 8.290 -0.000 0.000 0.566 159 R N -0.500 120.170 120.500 0.283 0.000 2.888 159 R HA 0.750 5.088 4.340 -0.002 0.000 0.264 159 R C -0.055 176.330 176.300 0.140 0.000 1.045 159 R CA -0.440 55.827 56.100 0.278 0.000 0.962 159 R CB 1.734 32.128 30.300 0.157 0.000 1.210 159 R HN 0.961 9.231 8.270 -0.000 0.000 0.479 160 I N -2.374 118.275 120.570 0.132 0.000 2.785 160 I HA 0.423 4.592 4.170 -0.002 0.000 0.302 160 I C 0.655 176.805 176.117 0.055 0.000 1.069 160 I CA -1.006 60.291 61.300 -0.005 0.000 1.045 160 I CB 2.567 40.502 38.000 -0.108 0.000 1.236 160 I HN 0.552 8.762 8.210 -0.000 0.000 0.429 161 K N 1.811 122.222 120.400 0.019 0.000 2.116 161 K HA 0.028 4.346 4.320 -0.002 0.000 0.203 161 K C 1.123 177.762 176.600 0.064 0.000 1.052 161 K CA 0.569 56.881 56.287 0.041 0.000 0.952 161 K CB 0.128 32.641 32.500 0.022 0.000 0.729 161 K HN 0.737 8.987 8.250 -0.000 0.000 0.446 162 S N 1.761 117.497 115.700 0.061 0.000 2.571 162 S HA -0.072 4.397 4.470 -0.002 0.000 0.298 162 S C -0.226 174.452 174.600 0.129 0.000 1.280 162 S CA -0.432 57.830 58.200 0.103 0.000 1.052 162 S CB 0.028 63.296 63.200 0.114 0.000 0.799 162 S HN 0.267 8.577 8.310 -0.000 0.000 0.501 163 N N 3.374 122.144 118.700 0.117 0.000 2.454 163 N HA 0.165 4.903 4.740 -0.002 0.000 0.254 163 N C -0.260 175.261 175.510 0.018 0.000 1.228 163 N CA 0.365 53.441 53.050 0.043 0.000 0.900 163 N CB 0.220 38.718 38.487 0.018 0.000 1.089 163 N HN 0.547 8.927 8.380 -0.000 0.000 0.449 164 I N 1.938 122.465 120.570 -0.071 0.000 2.377 164 I HA 0.157 4.325 4.170 -0.002 0.000 0.293 164 I C -0.345 175.516 176.117 -0.427 0.000 0.987 164 I CA -0.617 60.630 61.300 -0.088 0.000 1.185 164 I CB 0.786 38.866 38.000 0.134 0.000 1.341 164 I HN 0.353 8.563 8.210 -0.000 0.000 0.455 165 H N 5.700 124.730 119.070 -0.067 0.000 2.762 165 H HA 0.278 4.833 4.556 -0.002 0.000 0.310 165 H C -1.037 174.268 175.328 -0.037 0.000 1.004 165 H CA -0.406 55.655 56.048 0.022 0.000 1.267 165 H CB 1.133 30.898 29.762 0.005 0.000 1.437 165 H HN 0.386 8.666 8.280 -0.000 0.000 0.498 166 F N 4.841 124.744 119.950 -0.079 0.000 2.391 166 F HA 0.443 4.969 4.527 -0.002 0.000 0.359 166 F C -0.917 174.945 175.800 0.103 0.000 1.122 166 F CA -1.081 56.874 58.000 -0.074 0.000 1.120 166 F CB 0.251 39.233 39.000 -0.030 0.000 1.142 166 F HN 0.408 8.708 8.300 -0.000 0.000 0.483 167 I N 7.108 127.343 120.570 -0.558 0.000 2.330 167 I HA 0.223 4.391 4.170 -0.002 0.000 0.286 167 I C -0.263 175.417 176.117 -0.728 0.000 1.025 167 I CA -0.599 60.427 61.300 -0.455 0.000 1.197 167 I CB 1.002 38.858 38.000 -0.241 0.000 1.358 167 I HN 0.601 8.811 8.210 -0.000 0.000 0.467 168 E N 5.980 125.758 120.200 -0.705 0.000 2.314 168 E HA 0.654 5.003 4.350 -0.002 0.000 0.262 168 E C -0.237 176.289 176.600 -0.123 0.000 1.093 168 E CA -0.973 55.186 56.400 -0.402 0.000 0.908 168 E CB 1.303 30.921 29.700 -0.136 0.000 1.091 168 E HN 0.563 8.923 8.360 -0.000 0.000 0.425 169 A N 1.431 124.266 122.820 0.025 0.000 2.531 169 A HA 0.257 4.576 4.320 -0.002 0.000 0.236 169 A C 1.140 178.706 177.584 -0.030 0.000 1.062 169 A CA 0.326 52.375 52.037 0.019 0.000 0.760 169 A CB 0.108 19.174 19.000 0.110 0.000 0.995 169 A HN 0.820 8.970 8.150 -0.000 0.000 0.501 170 G N 1.122 109.866 108.800 -0.093 0.000 2.572 170 G HA2 0.251 4.209 3.960 -0.002 0.000 0.216 170 G HA3 0.251 4.209 3.960 -0.002 0.000 0.216 170 G C 0.382 175.253 174.900 -0.049 0.000 1.133 170 G CA 0.323 45.361 45.100 -0.104 0.000 0.791 170 G HN 0.649 8.939 8.290 -0.000 0.000 0.538 171 I N 0.375 120.918 120.570 -0.045 0.000 2.418 171 I HA 0.339 4.507 4.170 -0.002 0.000 0.287 171 I C -0.981 175.143 176.117 0.011 0.000 1.008 171 I CA -0.415 60.875 61.300 -0.016 0.000 1.104 171 I CB 2.127 40.108 38.000 -0.033 0.000 1.264 171 I HN -0.056 8.154 8.210 -0.000 0.000 0.438 172 Q N 4.236 124.049 119.800 0.021 0.000 2.786 172 Q HA 0.204 4.543 4.340 -0.002 0.000 0.240 172 Q C 0.306 176.315 176.000 0.015 0.000 0.928 172 Q CA -0.282 55.538 55.803 0.030 0.000 0.721 172 Q CB 1.868 30.634 28.738 0.047 0.000 1.318 172 Q HN 0.821 9.091 8.270 -0.000 0.000 0.474 173 T N -1.843 112.716 114.554 0.008 0.000 3.086 173 T HA 0.075 4.424 4.350 -0.002 0.000 0.250 173 T C 0.318 175.012 174.700 -0.009 0.000 1.074 173 T CA 0.059 62.160 62.100 0.003 0.000 0.988 173 T CB -0.006 68.866 68.868 0.006 0.000 0.988 173 T HN 0.611 8.851 8.240 -0.000 0.000 0.530 174 E N 0.565 120.753 120.200 -0.021 0.000 3.990 174 E HA 0.216 4.565 4.350 -0.002 0.000 0.246 174 E C -1.126 175.438 176.600 -0.059 0.000 1.179 174 E CA -0.719 55.658 56.400 -0.037 0.000 1.287 174 E CB -0.031 29.644 29.700 -0.042 0.000 1.241 174 E HN 0.073 8.433 8.360 -0.000 0.000 0.406 175 T N 1.146 115.672 114.554 -0.047 0.000 2.794 175 T HA 0.268 4.617 4.350 -0.002 0.000 0.296 175 T C 0.257 174.921 174.700 -0.061 0.000 0.949 175 T CA -0.270 61.791 62.100 -0.064 0.000 1.101 175 T CB 1.260 70.114 68.868 -0.023 0.000 0.905 175 T HN 0.121 8.361 8.240 -0.000 0.000 0.516 176 S N 1.970 117.617 115.700 -0.088 0.000 2.632 176 S HA 0.422 4.890 4.470 -0.002 0.000 0.271 176 S C 1.847 176.410 174.600 -0.062 0.000 1.260 176 S CA -0.679 57.477 58.200 -0.074 0.000 1.010 176 S CB 1.287 64.433 63.200 -0.090 0.000 0.965 176 S HN 0.890 9.200 8.310 -0.000 0.000 0.534 177 G N 1.067 109.838 108.800 -0.048 0.000 2.450 177 G HA2 -0.141 3.817 3.960 -0.002 0.000 0.220 177 G HA3 -0.141 3.817 3.960 -0.002 0.000 0.220 177 G C 1.372 176.239 174.900 -0.055 0.000 1.130 177 G CA 0.866 45.941 45.100 -0.042 0.000 0.760 177 G HN 0.767 9.057 8.290 -0.000 0.000 0.557 178 A N 0.391 123.169 122.820 -0.070 0.000 1.898 178 A HA 0.093 4.412 4.320 -0.002 0.000 0.216 178 A C 2.410 179.934 177.584 -0.099 0.000 1.181 178 A CA 1.695 53.682 52.037 -0.084 0.000 0.620 178 A CB -0.335 18.612 19.000 -0.087 0.000 0.819 178 A HN 0.370 8.520 8.150 -0.000 0.000 0.442 179 M N -0.486 119.039 119.600 -0.125 0.000 2.117 179 M HA -0.137 4.342 4.480 -0.002 0.000 0.262 179 M C 1.978 178.256 176.300 -0.038 0.000 1.065 179 M CA 1.402 56.598 55.300 -0.174 0.000 1.114 179 M CB -0.245 32.133 32.600 -0.369 0.000 1.361 179 M HN 0.267 8.557 8.290 -0.000 0.000 0.408 180 V N 0.469 120.373 119.914 -0.016 0.000 2.594 180 V HA -0.246 3.873 4.120 -0.002 0.000 0.253 180 V C 2.057 178.142 176.094 -0.014 0.000 1.069 180 V CA 1.307 63.630 62.300 0.039 0.000 1.082 180 V CB -0.810 31.033 31.823 0.033 0.000 0.680 180 V HN 0.499 8.689 8.190 -0.000 0.000 0.469 181 L N -0.426 120.763 121.223 -0.057 0.000 2.376 181 L HA -0.034 4.304 4.340 -0.002 0.000 0.219 181 L C 1.506 178.282 176.870 -0.157 0.000 1.133 181 L CA 0.744 55.525 54.840 -0.099 0.000 0.816 181 L CB -0.270 41.729 42.059 -0.100 0.000 0.933 181 L HN 0.358 8.588 8.230 -0.000 0.000 0.449 182 Q N 0.190 119.902 119.800 -0.147 0.000 2.341 182 Q HA 0.122 4.460 4.340 -0.002 0.000 0.325 182 Q C 0.408 176.153 176.000 -0.425 0.000 0.920 182 Q CA 0.159 55.789 55.803 -0.289 0.000 1.065 182 Q CB 0.487 29.081 28.738 -0.239 0.000 1.218 182 Q HN 0.327 8.597 8.270 -0.000 0.000 0.434 183 K N -0.747 119.431 120.400 -0.370 0.000 2.469 183 K HA 0.041 4.359 4.320 -0.002 0.000 0.201 183 K C -0.458 175.983 176.600 -0.264 0.000 1.028 183 K CA -0.094 55.848 56.287 -0.575 0.000 1.170 183 K CB 0.172 32.441 32.500 -0.386 0.000 0.874 183 K HN 0.206 8.456 8.250 -0.000 0.000 0.507 184 W N -0.858 120.255 121.300 -0.311 0.000 1.814 184 W HA -0.310 4.349 4.660 -0.001 0.000 0.259 184 W C 0.785 177.174 176.519 -0.216 0.000 1.042 184 W CA 0.139 57.386 57.345 -0.163 0.000 0.450 184 W CB -2.122 27.322 29.460 -0.027 0.000 2.061 184 W HN 0.215 8.395 8.180 -0.000 0.000 1.213 185 Q N 0.500 120.069 119.800 -0.385 0.000 2.181 185 Q HA -0.213 4.126 4.340 -0.002 0.000 0.205 185 Q C 1.772 177.612 176.000 -0.266 0.000 0.980 185 Q CA 1.855 57.241 55.803 -0.695 0.000 0.862 185 Q CB -0.383 27.972 28.738 -0.638 0.000 0.905 185 Q HN 0.539 8.809 8.270 -0.000 0.000 0.429 186 D N -0.988 119.319 120.400 -0.156 0.000 2.340 186 D HA 0.018 4.657 4.640 -0.002 0.000 0.220 186 D C 0.844 177.158 176.300 0.024 0.000 1.039 186 D CA 0.568 54.524 54.000 -0.073 0.000 0.866 186 D CB 0.179 40.922 40.800 -0.095 0.000 0.913 186 D HN 0.159 8.529 8.370 -0.000 0.000 0.523 187 A N -0.371 122.517 122.820 0.112 0.000 2.390 187 A HA 0.634 4.953 4.320 -0.002 0.000 0.232 187 A C 0.958 178.746 177.584 0.339 0.000 1.233 187 A CA 0.015 52.228 52.037 0.293 0.000 0.907 187 A CB 0.172 19.433 19.000 0.434 0.000 0.967 187 A HN 0.300 8.450 8.150 -0.000 0.000 0.512 188 A N 0.058 123.014 122.820 0.227 0.000 2.260 188 A HA 0.577 4.896 4.320 -0.002 0.000 0.314 188 A C 0.506 178.171 177.584 0.134 0.000 1.257 188 A CA -0.365 51.800 52.037 0.213 0.000 0.871 188 A CB 0.411 19.556 19.000 0.243 0.000 1.166 188 A HN 0.374 8.524 8.150 -0.000 0.000 0.522 189 E N 1.296 121.567 120.200 0.119 0.000 2.216 189 E HA -0.105 4.243 4.350 -0.002 0.000 0.192 189 E C 0.773 177.415 176.600 0.072 0.000 0.988 189 E CA 1.379 57.827 56.400 0.080 0.000 0.834 189 E CB 0.403 30.142 29.700 0.065 0.000 0.772 189 E HN 0.884 9.244 8.360 -0.000 0.000 0.479 190 E N -0.846 119.405 120.200 0.085 0.000 3.555 190 E HA 0.172 4.520 4.350 -0.002 0.000 0.187 190 E C 0.373 177.025 176.600 0.087 0.000 1.267 190 E CA 0.027 56.472 56.400 0.074 0.000 1.353 190 E CB 0.532 30.271 29.700 0.065 0.000 2.031 190 E HN 0.043 8.403 8.360 -0.000 0.000 0.522 191 G N 0.262 109.115 108.800 0.088 0.000 2.356 191 G HA2 0.469 4.427 3.960 -0.002 0.000 0.322 191 G HA3 0.469 4.427 3.960 -0.002 0.000 0.322 191 G C -1.779 173.184 174.900 0.105 0.000 1.125 191 G CA -0.035 45.108 45.100 0.071 0.000 0.885 191 G HN 0.149 8.439 8.290 -0.000 0.000 0.467 192 Y N 1.378 121.660 120.300 -0.031 0.000 2.457 192 Y HA 0.656 5.204 4.550 -0.002 0.000 0.343 192 Y C -0.526 175.343 175.900 -0.052 0.000 0.994 192 Y CA -0.854 57.226 58.100 -0.033 0.000 1.031 192 Y CB 2.128 40.599 38.460 0.018 0.000 1.246 192 Y HN 0.861 9.141 8.280 -0.000 0.000 0.449 193 A N 5.070 127.445 122.820 -0.741 0.000 2.486 193 A HA 0.652 4.970 4.320 -0.002 0.000 0.300 193 A C -1.571 175.582 177.584 -0.719 0.000 1.048 193 A CA -0.787 50.907 52.037 -0.572 0.000 0.696 193 A CB 1.463 20.264 19.000 -0.332 0.000 1.278 193 A HN 0.780 8.930 8.150 -0.000 0.000 0.405 194 E N 0.919 120.804 120.200 -0.524 0.000 2.227 194 E HA 0.747 5.096 4.350 -0.002 0.000 0.268 194 E C -1.898 174.458 176.600 -0.407 0.000 0.907 194 E CA -0.591 55.683 56.400 -0.210 0.000 0.786 194 E CB 1.587 31.405 29.700 0.198 0.000 1.191 194 E HN 0.569 8.929 8.360 -0.000 0.000 0.411 195 Y N 0.490 120.758 120.300 -0.054 0.000 2.421 195 Y HA 0.283 4.831 4.550 -0.003 0.000 0.339 195 Y C -0.452 175.365 175.900 -0.139 0.000 0.996 195 Y CA -1.213 56.839 58.100 -0.079 0.000 1.046 195 Y CB 2.652 41.062 38.460 -0.084 0.000 1.226 195 Y HN 0.410 8.690 8.280 -0.000 0.000 0.445 196 T N 2.762 117.324 114.554 0.013 0.000 2.729 196 T HA 0.399 4.748 4.350 -0.002 0.000 0.296 196 T C 0.709 175.278 174.700 -0.218 0.000 0.928 196 T CA -0.390 61.653 62.100 -0.096 0.000 1.045 196 T CB 0.750 69.560 68.868 -0.097 0.000 0.902 196 T HN 0.904 9.144 8.240 -0.000 0.000 0.500 197 G N 1.743 110.404 108.800 -0.231 0.000 2.531 197 G HA2 0.548 4.506 3.960 -0.002 0.000 0.253 197 G HA3 0.548 4.506 3.960 -0.002 0.000 0.253 197 G C -1.297 173.323 174.900 -0.467 0.000 1.439 197 G CA -0.567 44.369 45.100 -0.274 0.000 1.056 197 G HN 0.642 8.932 8.290 -0.000 0.000 0.555 198 Y N -0.858 119.434 120.300 -0.012 0.000 2.391 198 Y HA 0.562 5.110 4.550 -0.002 0.000 0.341 198 Y C 0.689 176.413 175.900 -0.294 0.000 0.965 198 Y CA 0.162 58.258 58.100 -0.007 0.000 1.067 198 Y CB 2.046 40.618 38.460 0.187 0.000 1.199 198 Y HN 1.201 9.481 8.280 -0.000 0.000 0.450 199 G N 0.867 109.410 108.800 -0.428 0.000 2.707 199 G HA2 0.255 4.213 3.960 -0.002 0.000 0.686 199 G HA3 0.255 4.213 3.960 -0.002 0.000 0.686 199 G C -0.698 173.929 174.900 -0.455 0.000 1.315 199 G CA -0.730 43.711 45.100 -1.098 0.000 0.832 199 G HN 1.010 9.300 8.290 -0.000 0.000 0.573 200 A N -0.340 122.270 122.820 -0.351 0.000 2.346 200 A HA 0.640 4.958 4.320 -0.002 0.000 0.252 200 A C 1.274 178.855 177.584 -0.005 0.000 1.089 200 A CA 1.325 53.307 52.037 -0.091 0.000 0.797 200 A CB 0.249 19.238 19.000 -0.019 0.000 1.047 200 A HN 2.207 10.357 8.150 -0.000 0.000 0.494 201 H N 0.770 119.856 119.070 0.027 0.000 2.267 201 H HA -0.267 4.288 4.556 -0.002 0.000 0.291 201 H C 1.857 177.310 175.328 0.208 0.000 1.094 201 H CA 2.953 59.074 56.048 0.122 0.000 1.227 201 H CB 0.027 29.851 29.762 0.103 0.000 1.351 201 H HN 0.710 8.990 8.280 -0.000 0.000 0.483 202 K N -0.742 119.792 120.400 0.223 0.000 2.362 202 K HA -0.090 4.228 4.320 -0.002 0.000 0.200 202 K C 0.691 177.379 176.600 0.146 0.000 1.046 202 K CA 1.698 58.115 56.287 0.217 0.000 0.952 202 K CB 0.345 32.976 32.500 0.218 0.000 0.753 202 K HN 0.358 8.608 8.250 -0.000 0.000 0.466 203 D N 0.570 121.008 120.400 0.065 0.000 2.379 203 D HA 0.123 4.762 4.640 -0.002 0.000 0.208 203 D C 1.640 177.968 176.300 0.047 0.000 1.065 203 D CA 0.223 54.267 54.000 0.073 0.000 0.848 203 D CB 0.171 41.005 40.800 0.058 0.000 0.949 203 D HN 0.246 8.616 8.370 -0.000 0.000 0.509 204 M N -0.104 119.467 119.600 -0.048 0.000 2.108 204 M HA -0.079 4.399 4.480 -0.002 0.000 0.261 204 M C 1.322 177.611 176.300 -0.019 0.000 1.066 204 M CA 1.308 56.583 55.300 -0.041 0.000 1.107 204 M CB 0.062 32.644 32.600 -0.030 0.000 1.356 204 M HN -0.056 8.234 8.290 -0.000 0.000 0.406 205 L N -0.503 120.618 121.223 -0.169 0.000 2.872 205 L HA 0.264 4.602 4.340 -0.002 0.000 0.245 205 L C -0.219 176.515 176.870 -0.227 0.000 1.211 205 L CA -0.196 54.525 54.840 -0.198 0.000 1.013 205 L CB -0.031 41.844 42.059 -0.306 0.000 1.326 205 L HN 0.179 8.409 8.230 -0.000 0.000 0.525 206 E N -0.758 119.376 120.200 -0.109 0.000 2.336 206 E HA 0.609 4.958 4.350 -0.002 0.000 0.267 206 E C 0.361 176.952 176.600 -0.015 0.000 0.906 206 E CA -0.192 56.146 56.400 -0.105 0.000 0.781 206 E CB 2.327 31.964 29.700 -0.105 0.000 1.261 206 E HN 0.091 8.451 8.360 -0.000 0.000 0.436 207 G N 1.952 110.715 108.800 -0.063 0.000 2.574 207 G HA2 -0.441 3.518 3.960 -0.002 0.000 0.286 207 G HA3 -0.441 3.518 3.960 -0.002 0.000 0.286 207 G C 0.899 175.711 174.900 -0.146 0.000 1.212 207 G CA 0.831 45.881 45.100 -0.084 0.000 0.979 207 G HN 0.817 9.107 8.290 -0.000 0.000 0.557 208 E N -0.028 119.997 120.200 -0.292 0.000 2.204 208 E HA 0.021 4.369 4.350 -0.002 0.000 0.194 208 E C 2.243 178.604 176.600 -0.399 0.000 0.989 208 E CA 1.757 57.901 56.400 -0.426 0.000 0.824 208 E CB -0.216 29.099 29.700 -0.641 0.000 0.756 208 E HN 0.508 8.868 8.360 -0.000 0.000 0.477 209 F N 1.562 121.483 119.950 -0.048 0.000 2.456 209 F HA 0.245 4.771 4.527 -0.002 0.000 0.298 209 F C 2.561 178.330 175.800 -0.051 0.000 1.104 209 F CA 0.543 58.523 58.000 -0.032 0.000 1.435 209 F CB -0.378 38.634 39.000 0.020 0.000 1.078 209 F HN 0.108 8.408 8.300 -0.000 0.000 0.546 210 A N 0.125 122.983 122.820 0.065 0.000 1.940 210 A HA -0.262 4.056 4.320 -0.002 0.000 0.219 210 A C 2.236 179.805 177.584 -0.024 0.000 1.176 210 A CA 1.999 54.036 52.037 0.000 0.000 0.631 210 A CB -0.836 18.132 19.000 -0.053 0.000 0.814 210 A HN 0.444 8.594 8.150 -0.000 0.000 0.446 211 E N -0.086 120.077 120.200 -0.061 0.000 2.051 211 E HA -0.223 4.126 4.350 -0.002 0.000 0.192 211 E C 1.962 178.507 176.600 -0.092 0.000 0.991 211 E CA 1.530 57.880 56.400 -0.083 0.000 0.799 211 E CB -0.106 29.527 29.700 -0.111 0.000 0.748 211 E HN 0.645 9.005 8.360 -0.000 0.000 0.449 212 K N 0.074 120.396 120.400 -0.130 0.000 2.057 212 K HA -0.086 4.232 4.320 -0.002 0.000 0.206 212 K C 1.925 178.514 176.600 -0.017 0.000 1.050 212 K CA 1.629 57.768 56.287 -0.248 0.000 0.935 212 K CB -0.139 31.984 32.500 -0.628 0.000 0.715 212 K HN 0.147 8.397 8.250 -0.000 0.000 0.439 213 N N 0.692 119.450 118.700 0.097 0.000 2.270 213 N HA -0.082 4.656 4.740 -0.002 0.000 0.181 213 N C 1.740 177.266 175.510 0.025 0.000 1.016 213 N CA 0.720 53.844 53.050 0.122 0.000 0.870 213 N CB -0.029 38.525 38.487 0.112 0.000 0.979 213 N HN 0.150 8.530 8.380 -0.000 0.000 0.431 214 A N 1.458 124.276 122.820 -0.004 0.000 1.978 214 A HA -0.169 4.149 4.320 -0.002 0.000 0.220 214 A C 1.844 179.403 177.584 -0.042 0.000 1.170 214 A CA 1.345 53.363 52.037 -0.031 0.000 0.636 214 A CB -0.382 18.594 19.000 -0.039 0.000 0.810 214 A HN 0.242 8.392 8.150 -0.000 0.000 0.448 215 N N 0.241 118.921 118.700 -0.034 0.000 2.166 215 N HA -0.101 4.637 4.740 -0.002 0.000 0.186 215 N C 1.643 177.131 175.510 -0.036 0.000 1.019 215 N CA 1.579 54.609 53.050 -0.033 0.000 0.856 215 N CB -0.450 38.022 38.487 -0.026 0.000 0.993 215 N HN 0.605 8.985 8.380 -0.000 0.000 0.426 216 I N 0.945 121.499 120.570 -0.027 0.000 2.179 216 I HA -0.206 3.963 4.170 -0.002 0.000 0.242 216 I C 2.060 178.058 176.117 -0.198 0.000 1.088 216 I CA 0.897 62.137 61.300 -0.099 0.000 1.357 216 I CB -0.249 37.688 38.000 -0.106 0.000 1.051 216 I HN 0.006 8.216 8.210 -0.000 0.000 0.409 217 I N 0.254 120.727 120.570 -0.161 0.000 2.208 217 I HA -0.302 3.867 4.170 -0.002 0.000 0.245 217 I C 2.516 178.543 176.117 -0.150 0.000 1.097 217 I CA 1.253 62.448 61.300 -0.175 0.000 1.363 217 I CB -0.254 37.680 38.000 -0.111 0.000 1.051 217 I HN 0.236 8.446 8.210 -0.000 0.000 0.413 218 L N 1.004 122.165 121.223 -0.104 0.000 2.056 218 L HA -0.181 4.158 4.340 -0.002 0.000 0.207 218 L C 2.128 178.948 176.870 -0.083 0.000 1.078 218 L CA 1.848 56.638 54.840 -0.082 0.000 0.749 218 L CB -0.879 41.145 42.059 -0.058 0.000 0.901 218 L HN 0.199 8.429 8.230 -0.000 0.000 0.433 219 N N -0.037 118.612 118.700 -0.085 0.000 2.149 219 N HA -0.186 4.552 4.740 -0.002 0.000 0.188 219 N C 1.931 177.384 175.510 -0.096 0.000 1.019 219 N CA 1.947 54.957 53.050 -0.066 0.000 0.857 219 N CB -0.332 38.132 38.487 -0.039 0.000 0.997 219 N HN 0.426 8.806 8.380 -0.000 0.000 0.426 220 I N 0.784 121.241 120.570 -0.189 0.000 2.179 220 I HA -0.233 3.936 4.170 -0.002 0.000 0.242 220 I C 2.047 178.044 176.117 -0.200 0.000 1.088 220 I CA 0.830 61.961 61.300 -0.282 0.000 1.357 220 I CB -0.207 37.472 38.000 -0.536 0.000 1.051 220 I HN 0.062 8.272 8.210 -0.000 0.000 0.409 221 L N 0.144 121.275 121.223 -0.153 0.000 2.046 221 L HA -0.242 4.097 4.340 -0.002 0.000 0.208 221 L C 2.072 178.909 176.870 -0.054 0.000 1.077 221 L CA 1.252 56.037 54.840 -0.092 0.000 0.747 221 L CB -0.708 41.306 42.059 -0.075 0.000 0.896 221 L HN 0.251 8.481 8.230 -0.000 0.000 0.432 222 D N 0.181 120.550 120.400 -0.050 0.000 2.219 222 D HA -0.139 4.500 4.640 -0.002 0.000 0.205 222 D C 1.957 178.250 176.300 -0.011 0.000 0.970 222 D CA 1.143 55.127 54.000 -0.026 0.000 0.851 222 D CB 0.016 40.803 40.800 -0.023 0.000 0.943 222 D HN 0.269 8.639 8.370 -0.000 0.000 0.488 223 K N -0.183 120.210 120.400 -0.012 0.000 2.444 223 K HA 0.151 4.470 4.320 -0.002 0.000 0.193 223 K C 0.975 177.593 176.600 0.029 0.000 1.024 223 K CA -0.201 56.095 56.287 0.015 0.000 1.077 223 K CB 0.751 33.271 32.500 0.033 0.000 0.833 223 K HN 0.127 8.377 8.250 -0.000 0.000 0.517 224 I N 0.000 120.580 120.570 0.017 0.000 2.984 224 I HA 0.000 4.169 4.170 -0.002 0.000 0.288 224 I CA 0.000 61.323 61.300 0.038 0.000 1.566 224 I CB 0.000 38.017 38.000 0.028 0.000 1.214 224 I HN 0.000 8.210 8.210 -0.000 0.000 0.494