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 2jnq_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNTGHDGALA YDEPIYLSDG NIINIGEFVD KFFKKYKNSI KKEDNGFGWI DATA SEQUENCE DIGNENIYIK SFNKLSLIIE DKRILRVWRK KYSGKLIKIT TKNRREITLT DATA SEQUENCE HDHPVYISKT GEVLEINAEM VKVGDYIYIP KNNTINLDEV IKVETVDYNG DATA SEQUENCE HIYDLTVEDN HTYIAGKNEG FAVSASSGTL HHHHHH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.437 4.480 -0.072 0.000 0.227 1 M C 0.000 176.272 176.300 -0.046 0.000 1.140 1 M CA 0.000 55.264 55.300 -0.059 0.000 0.988 1 M CB 0.000 32.578 32.600 -0.036 0.000 1.302 2 N N 2.605 121.277 118.700 -0.046 0.000 2.379 2 N HA 0.370 5.087 4.740 -0.038 0.000 0.260 2 N C 0.008 175.517 175.510 -0.000 0.000 1.254 2 N CA -0.122 52.909 53.050 -0.033 0.000 0.958 2 N CB 0.892 39.347 38.487 -0.053 0.000 1.208 2 N HN 0.134 8.486 8.380 -0.046 0.000 0.532 3 T N -0.696 113.864 114.554 0.009 0.000 2.755 3 T HA 0.024 4.389 4.350 0.024 0.000 0.251 3 T C 0.465 175.191 174.700 0.043 0.000 1.044 3 T CA 1.457 63.572 62.100 0.026 0.000 1.154 3 T CB -0.421 68.462 68.868 0.026 0.000 0.866 3 T HN 0.275 8.515 8.240 0.001 0.000 0.416 4 G N -1.013 107.818 108.800 0.053 0.000 2.481 4 G HA2 -0.020 3.978 3.960 0.063 0.000 0.251 4 G HA3 -0.020 3.985 3.960 0.076 0.000 0.251 4 G C -1.594 173.366 174.900 0.100 0.000 1.492 4 G CA -0.585 44.557 45.100 0.069 0.000 1.060 4 G HN -0.435 7.880 8.290 0.043 0.000 0.553 5 H N 0.211 119.245 119.070 -0.059 0.000 1.455 5 H HA -0.554 3.926 4.556 -0.127 0.000 0.091 5 H C -1.433 173.831 175.328 -0.107 0.000 1.628 5 H CA 1.123 57.108 56.048 -0.104 0.000 1.900 5 H CB 0.607 30.301 29.762 -0.113 0.000 2.255 5 H HN 0.119 8.457 8.280 0.097 0.000 0.961 6 D N -1.536 118.577 120.400 -0.478 0.000 3.620 6 D HA -0.257 4.085 4.640 -0.497 0.000 0.237 6 D C -0.644 175.507 176.300 -0.249 0.000 1.111 6 D CA 1.201 54.988 54.000 -0.355 0.000 1.070 6 D CB -0.176 40.534 40.800 -0.149 0.000 0.891 6 D HN 0.099 7.720 8.370 -1.247 0.000 0.412 7 G N -2.372 106.223 108.800 -0.340 0.000 2.531 7 G HA2 0.211 4.109 3.960 -0.104 0.000 0.281 7 G HA3 0.211 3.919 3.960 -0.421 0.000 0.281 7 G C -2.245 172.634 174.900 -0.036 0.000 1.382 7 G CA -0.422 44.554 45.100 -0.207 0.000 1.045 7 G HN 0.237 8.235 8.290 -0.486 0.000 0.533 8 A N -2.576 120.304 122.820 0.101 0.000 2.490 8 A HA 0.022 4.603 4.320 0.164 -0.163 0.292 8 A C -2.326 175.323 177.584 0.108 0.000 1.047 8 A CA -0.036 52.080 52.037 0.131 0.000 0.632 8 A CB 1.749 20.806 19.000 0.095 0.000 1.323 8 A HN -0.260 8.035 8.150 0.241 0.000 0.448 9 L N -1.908 119.364 121.223 0.082 0.000 2.322 9 L HA 0.533 4.924 4.340 -0.106 -0.115 0.269 9 L C -0.274 176.583 176.870 -0.021 0.000 1.012 9 L CA -1.561 53.273 54.840 -0.010 0.000 0.815 9 L CB 4.036 46.110 42.059 0.025 0.000 1.295 9 L HN 0.478 8.794 8.230 0.143 0.000 0.438 10 A N 0.540 123.265 122.820 -0.158 0.000 2.406 10 A HA 0.081 4.328 4.320 -0.121 0.000 0.243 10 A C 0.367 178.026 177.584 0.125 0.000 1.082 10 A CA -0.023 51.904 52.037 -0.183 0.000 0.786 10 A CB 0.770 19.357 19.000 -0.688 0.000 1.029 10 A HN -0.183 7.837 8.150 -0.216 0.000 0.495 11 Y N 0.123 120.595 120.300 0.287 0.000 2.193 11 Y HA -0.371 4.370 4.550 0.319 0.000 0.285 11 Y C -0.182 175.770 175.900 0.085 0.000 1.166 11 Y CA 3.707 61.992 58.100 0.308 0.000 1.181 11 Y CB 0.438 39.165 38.460 0.446 0.000 0.976 11 Y HN 0.499 9.180 8.280 0.668 0.000 0.520 12 D N -6.023 114.444 120.400 0.111 0.000 2.643 12 D HA 0.020 4.559 4.640 -0.169 0.000 0.244 12 D C -0.757 175.515 176.300 -0.046 0.000 1.257 12 D CA -1.556 52.458 54.000 0.024 0.000 0.831 12 D CB -0.669 40.282 40.800 0.252 0.000 1.043 12 D HN -0.542 7.966 8.370 0.273 0.026 0.488 13 E N 1.051 121.192 120.200 -0.100 0.000 2.194 13 E HA 0.354 4.674 4.350 -0.050 0.000 0.284 13 E C -1.985 174.516 176.600 -0.166 0.000 1.035 13 E CA -2.408 53.938 56.400 -0.091 0.000 0.836 13 E CB 0.426 30.084 29.700 -0.070 0.000 1.070 13 E HN -0.699 7.507 8.360 -0.130 0.077 0.401 14 P HA 0.284 4.705 4.420 -0.408 -0.245 0.270 14 P C 0.042 177.093 177.300 -0.414 0.000 1.223 14 P CA 0.140 62.982 63.100 -0.430 0.000 0.785 14 P CB 0.723 32.014 31.700 -0.681 0.000 0.923 15 I N -6.539 113.719 120.570 -0.520 0.000 4.338 15 I HA 0.376 4.524 4.170 -0.037 0.000 0.329 15 I C -1.535 174.526 176.117 -0.093 0.000 1.378 15 I CA -0.765 60.381 61.300 -0.258 0.000 1.170 15 I CB 1.769 39.527 38.000 -0.403 0.000 1.206 15 I HN -0.583 7.272 8.210 -0.591 0.000 0.432 16 Y N -2.485 117.753 120.300 -0.104 0.000 2.945 16 Y HA -0.385 4.139 4.550 -0.042 0.000 0.161 16 Y C -0.636 175.245 175.900 -0.032 0.000 1.672 16 Y CA -0.211 57.862 58.100 -0.045 0.000 0.920 16 Y CB -2.192 36.268 38.460 0.000 0.000 1.489 16 Y HN -0.020 7.729 8.280 -0.884 0.000 0.354 17 L N -0.274 120.957 121.223 0.014 0.000 2.489 17 L HA -0.376 4.070 4.340 0.065 -0.068 0.285 17 L C 2.100 179.044 176.870 0.124 0.000 1.259 17 L CA 1.639 56.517 54.840 0.063 0.000 0.828 17 L CB -0.520 41.570 42.059 0.052 0.000 1.094 17 L HN -0.021 8.157 8.230 -0.086 0.000 0.524 18 S N -0.553 115.239 115.700 0.153 0.000 2.584 18 S HA -0.246 4.295 4.470 0.119 0.000 0.240 18 S C -0.014 174.646 174.600 0.100 0.000 0.975 18 S CA 2.528 60.808 58.200 0.134 0.000 0.949 18 S CB 0.076 63.372 63.200 0.161 0.000 0.761 18 S HN 0.560 8.861 8.310 0.188 0.121 0.536 19 D N -3.459 117.001 120.400 0.101 0.000 2.479 19 D HA 0.154 4.834 4.640 0.066 0.000 0.221 19 D C -0.500 175.839 176.300 0.065 0.000 1.104 19 D CA 0.269 54.316 54.000 0.078 0.000 0.849 19 D CB 1.858 42.710 40.800 0.088 0.000 1.072 19 D HN -0.240 8.087 8.370 0.111 0.109 0.502 20 G N -0.945 107.895 108.800 0.068 0.000 2.203 20 G HA2 -0.318 3.698 3.960 0.093 0.000 0.231 20 G HA3 -0.318 3.684 3.960 0.069 0.000 0.231 20 G C 0.176 175.083 174.900 0.012 0.000 1.058 20 G CA 0.421 45.558 45.100 0.062 0.000 0.781 20 G HN -0.120 8.078 8.290 0.079 0.139 0.496 21 N N -2.121 116.570 118.700 -0.015 0.000 2.453 21 N HA -0.244 4.494 4.740 -0.004 0.000 0.183 21 N C -0.400 175.061 175.510 -0.081 0.000 1.041 21 N CA 1.289 54.321 53.050 -0.030 0.000 0.900 21 N CB 0.244 38.724 38.487 -0.010 0.000 0.961 21 N HN -0.005 8.373 8.380 -0.003 0.000 0.443 22 I N -3.047 117.431 120.570 -0.153 0.000 4.981 22 I HA -0.289 3.647 4.170 -0.391 0.000 0.126 22 I C -1.522 174.481 176.117 -0.190 0.000 1.245 22 I CA 0.277 61.439 61.300 -0.230 0.000 2.651 22 I CB -1.889 36.017 38.000 -0.157 0.000 2.094 22 I HN -0.066 7.989 8.210 -0.161 0.058 0.323 23 I N 2.048 122.482 120.570 -0.227 0.000 2.607 23 I HA 0.080 4.164 4.170 -0.143 0.000 0.305 23 I C -0.962 174.995 176.117 -0.267 0.000 0.995 23 I CA -1.458 59.726 61.300 -0.192 0.000 1.148 23 I CB 2.459 40.381 38.000 -0.130 0.000 1.323 23 I HN -0.520 7.517 8.210 -0.288 0.000 0.461 24 N N 5.401 123.947 118.700 -0.257 0.000 2.468 24 N HA -0.097 4.436 4.740 -0.346 0.000 0.265 24 N C 1.024 176.274 175.510 -0.434 0.000 1.199 24 N CA 0.442 53.264 53.050 -0.380 0.000 0.928 24 N CB -0.229 37.956 38.487 -0.503 0.000 1.059 24 N HN 0.398 8.659 8.380 -0.198 0.000 0.467 25 I N 5.408 125.717 120.570 -0.435 0.000 2.194 25 I HA -0.430 3.563 4.170 -0.295 0.000 0.246 25 I C 0.738 176.476 176.117 -0.633 0.000 1.093 25 I CA 3.559 64.627 61.300 -0.386 0.000 1.355 25 I CB 0.230 38.076 38.000 -0.256 0.000 1.046 25 I HN 0.208 8.190 8.210 -0.379 0.000 0.413 26 G N -2.128 106.000 108.800 -1.120 0.000 2.402 26 G HA2 -0.368 1.807 3.960 -2.975 0.000 0.216 26 G HA3 -0.368 2.600 3.960 -1.653 0.000 0.216 26 G C 0.629 175.042 174.900 -0.811 0.000 1.162 26 G CA 2.349 46.449 45.100 -1.666 0.000 0.777 26 G HN 0.030 7.673 8.290 -1.069 0.005 0.539 27 E N 2.997 122.837 120.200 -0.600 0.000 2.072 27 E HA -0.277 4.000 4.350 -0.122 0.000 0.191 27 E C 1.583 178.044 176.600 -0.232 0.000 0.985 27 E CA 2.339 58.591 56.400 -0.247 0.000 0.801 27 E CB -0.488 29.115 29.700 -0.161 0.000 0.750 27 E HN -0.678 7.178 8.360 -0.840 0.000 0.452 28 F N 0.523 120.238 119.950 -0.392 0.000 2.046 28 F HA -0.383 3.901 4.527 -0.404 0.000 0.297 28 F C 1.816 177.383 175.800 -0.389 0.000 1.123 28 F CA 3.688 61.480 58.000 -0.347 0.000 1.199 28 F CB 0.235 39.126 39.000 -0.182 0.000 0.972 28 F HN -0.198 8.012 8.300 -0.151 0.000 0.474 29 V N -1.527 118.363 119.914 -0.040 0.000 2.255 29 V HA -0.699 3.667 4.120 0.410 0.000 0.247 29 V C 1.749 177.797 176.094 -0.077 0.000 1.051 29 V CA 4.675 67.010 62.300 0.058 0.000 1.018 29 V CB -0.199 31.637 31.823 0.023 0.000 0.641 29 V HN 0.032 8.213 8.190 -0.014 0.000 0.445 30 D N -1.363 118.909 120.400 -0.213 0.000 2.178 30 D HA -0.268 4.339 4.640 -0.056 0.000 0.202 30 D C 1.749 177.976 176.300 -0.122 0.000 0.974 30 D CA 3.350 57.288 54.000 -0.103 0.000 0.841 30 D CB -0.001 40.764 40.800 -0.059 0.000 0.953 30 D HN -0.019 8.064 8.370 -0.290 0.112 0.478 31 K N -0.063 120.122 120.400 -0.359 0.000 2.059 31 K HA -0.388 3.748 4.320 -0.308 0.000 0.212 31 K C 1.972 178.261 176.600 -0.519 0.000 1.050 31 K CA 3.486 59.477 56.287 -0.492 0.000 0.927 31 K CB -0.366 31.713 32.500 -0.703 0.000 0.714 31 K HN -0.039 7.947 8.250 -0.419 0.013 0.447 32 F N -2.547 117.242 119.950 -0.268 0.000 2.146 32 F HA -0.251 3.557 4.527 -1.199 0.000 0.298 32 F C 2.306 177.965 175.800 -0.233 0.000 1.096 32 F CA 2.038 59.739 58.000 -0.498 0.000 1.275 32 F CB -0.612 38.290 39.000 -0.165 0.000 1.008 32 F HN -0.594 7.150 8.300 -0.742 0.111 0.480 33 F N -2.080 117.851 119.950 -0.031 0.000 2.333 33 F HA -0.300 4.260 4.527 0.055 0.000 0.300 33 F C 1.746 177.518 175.800 -0.046 0.000 1.083 33 F CA 2.770 60.773 58.000 0.006 0.000 1.395 33 F CB -0.911 38.115 39.000 0.044 0.000 1.056 33 F HN -0.275 8.325 8.300 0.623 0.074 0.529 34 K N -3.192 117.234 120.400 0.044 0.000 2.323 34 K HA -0.081 4.252 4.320 0.022 0.000 0.197 34 K C 0.918 177.479 176.600 -0.064 0.000 1.043 34 K CA 1.693 57.971 56.287 -0.015 0.000 0.997 34 K CB 0.045 32.520 32.500 -0.041 0.000 0.807 34 K HN 0.115 8.240 8.250 0.012 0.132 0.497 35 K N -2.280 118.021 120.400 -0.166 0.000 2.121 35 K HA -0.016 4.284 4.320 -0.034 0.000 0.203 35 K C 2.669 179.321 176.600 0.086 0.000 1.041 35 K CA 1.489 57.706 56.287 -0.115 0.000 0.969 35 K CB 1.354 33.672 32.500 -0.303 0.000 0.799 35 K HN -0.531 7.439 8.250 -0.281 0.112 0.456 36 Y N -0.680 119.625 120.300 0.008 0.000 2.881 36 Y HA 0.235 4.756 4.550 -0.049 0.000 0.369 36 Y C -0.607 175.227 175.900 -0.111 0.000 1.066 36 Y CA -3.375 54.694 58.100 -0.052 0.000 1.616 36 Y CB -3.224 35.202 38.460 -0.057 0.000 1.436 36 Y HN 0.289 8.268 8.280 -0.330 0.104 0.505 37 K N -0.157 120.268 120.400 0.040 0.000 2.074 37 K HA -0.421 3.999 4.320 -0.037 -0.122 0.209 37 K C 2.332 178.902 176.600 -0.049 0.000 1.048 37 K CA 3.223 59.501 56.287 -0.015 0.000 0.926 37 K CB -0.349 32.154 32.500 0.005 0.000 0.713 37 K HN -0.509 7.671 8.250 0.062 0.106 0.444 38 N N -3.918 114.765 118.700 -0.027 0.000 2.309 38 N HA -0.210 4.495 4.740 -0.058 0.000 0.182 38 N C 0.610 176.060 175.510 -0.101 0.000 1.018 38 N CA 1.549 54.567 53.050 -0.053 0.000 0.876 38 N CB -1.198 37.270 38.487 -0.032 0.000 0.972 38 N HN 0.282 8.654 8.380 0.010 0.014 0.434 39 S N -2.029 113.605 115.700 -0.110 0.000 2.558 39 S HA -0.007 4.350 4.470 -0.187 0.000 0.217 39 S C -0.263 174.141 174.600 -0.327 0.000 0.975 39 S CA -0.227 57.864 58.200 -0.181 0.000 0.912 39 S CB 0.813 63.941 63.200 -0.120 0.000 0.776 39 S HN -0.590 7.526 8.310 -0.046 0.166 0.526 40 I N 4.735 125.096 120.570 -0.348 0.000 2.849 40 I HA -0.383 3.371 4.170 -0.693 0.000 0.288 40 I C -0.699 175.143 176.117 -0.459 0.000 1.156 40 I CA 0.962 61.977 61.300 -0.474 0.000 1.394 40 I CB -1.589 36.216 38.000 -0.325 0.000 1.462 40 I HN -0.870 7.030 8.210 -0.244 0.163 0.587 41 K N 9.970 129.931 120.400 -0.732 0.000 2.218 41 K HA 0.027 4.031 4.320 -0.527 0.000 0.276 41 K C -1.011 175.219 176.600 -0.617 0.000 1.022 41 K CA -1.039 54.755 56.287 -0.821 0.000 0.946 41 K CB 1.284 32.838 32.500 -1.576 0.000 1.000 41 K HN -0.133 7.572 8.250 -0.908 0.000 0.468 42 K N 3.827 124.033 120.400 -0.324 0.000 2.156 42 K HA 0.217 4.515 4.320 -0.036 0.000 0.250 42 K C -0.533 176.057 176.600 -0.018 0.000 0.955 42 K CA -2.137 54.091 56.287 -0.099 0.000 0.855 42 K CB 1.501 34.002 32.500 0.002 0.000 1.101 42 K HN 0.090 8.160 8.250 -0.301 0.000 0.434 43 E N 1.059 121.372 120.200 0.188 0.000 2.376 43 E HA 0.010 4.524 4.350 0.273 0.000 0.254 43 E C 0.407 177.129 176.600 0.203 0.000 1.213 43 E CA -0.009 56.562 56.400 0.285 0.000 0.945 43 E CB 1.002 30.985 29.700 0.471 0.000 1.057 43 E HN 0.043 8.577 8.360 0.291 0.000 0.479 44 D N -0.484 120.029 120.400 0.188 0.000 2.117 44 D HA -0.234 4.472 4.640 0.110 0.000 0.197 44 D C 1.047 177.437 176.300 0.150 0.000 0.987 44 D CA 2.740 56.824 54.000 0.140 0.000 0.829 44 D CB 0.149 41.023 40.800 0.122 0.000 0.961 44 D HN 0.341 8.840 8.370 0.215 0.000 0.460 45 N N -2.397 116.422 118.700 0.199 0.000 2.609 45 N HA -0.139 4.692 4.740 0.152 0.000 0.190 45 N C -0.315 175.330 175.510 0.225 0.000 1.157 45 N CA 0.058 53.234 53.050 0.209 0.000 0.918 45 N CB 0.250 38.893 38.487 0.260 0.000 0.978 45 N HN -0.129 8.387 8.380 0.227 0.000 0.448 46 G N -2.820 106.114 108.800 0.223 0.000 2.298 46 G HA2 -0.326 3.811 3.960 0.156 0.000 0.287 46 G HA3 -0.326 3.705 3.960 0.118 0.000 0.287 46 G C -0.867 174.164 174.900 0.218 0.000 1.075 46 G CA 0.377 45.582 45.100 0.175 0.000 0.960 46 G HN -0.464 7.718 8.290 0.216 0.238 0.502 47 F N 0.807 120.882 119.950 0.208 0.000 2.281 47 F HA -0.107 4.565 4.527 0.241 0.000 0.257 47 F C -0.307 175.656 175.800 0.272 0.000 1.220 47 F CA 1.742 59.915 58.000 0.289 0.000 1.038 47 F CB 1.440 40.723 39.000 0.471 0.000 1.015 47 F HN -0.418 8.185 8.300 0.506 0.000 0.560 48 G N -1.689 107.519 108.800 0.681 0.000 2.693 48 G HA2 -0.006 4.284 3.960 0.149 0.000 0.290 48 G HA3 -0.006 4.223 3.960 0.449 0.000 0.290 48 G C -2.636 172.601 174.900 0.560 0.000 1.378 48 G CA -0.500 44.860 45.100 0.433 0.000 1.120 48 G HN -0.360 8.448 8.290 0.864 0.000 0.609 49 W N 1.040 122.389 121.300 0.082 0.000 3.031 49 W HA 0.904 5.741 4.660 0.083 -0.127 0.337 49 W C -3.294 173.057 176.519 -0.280 0.000 1.187 49 W CA -2.910 54.304 57.345 -0.218 0.000 1.166 49 W CB 2.982 31.797 29.460 -1.075 0.000 1.437 49 W HN 0.781 8.758 8.180 -0.338 0.000 0.551 50 I N -1.521 119.160 120.570 0.185 0.000 2.722 50 I HA 0.380 4.505 4.170 -0.074 0.000 0.295 50 I C -1.782 174.484 176.117 0.248 0.000 1.161 50 I CA -1.322 60.016 61.300 0.064 0.000 1.032 50 I CB 4.623 42.499 38.000 -0.206 0.000 1.244 50 I HN -0.145 8.245 8.210 0.300 0.000 0.421 51 D N 4.394 124.937 120.400 0.238 0.000 2.390 51 D HA 0.015 4.808 4.640 -0.005 -0.156 0.249 51 D C 0.286 176.531 176.300 -0.090 0.000 1.144 51 D CA 0.578 54.604 54.000 0.043 0.000 0.880 51 D CB 0.710 41.532 40.800 0.035 0.000 1.182 51 D HN 0.282 8.791 8.370 0.231 0.000 0.451 52 I N -1.181 119.289 120.570 -0.166 0.000 4.102 52 I HA 0.496 4.483 4.170 -0.306 0.000 0.325 52 I C 1.033 177.003 176.117 -0.245 0.000 1.471 52 I CA -1.798 59.312 61.300 -0.318 0.000 1.133 52 I CB 0.300 37.873 38.000 -0.712 0.000 1.184 52 I HN 0.341 8.363 8.210 -0.125 0.112 0.451 53 G N 2.646 111.347 108.800 -0.164 0.000 2.499 53 G HA2 -0.402 3.625 3.960 -0.138 0.000 0.221 53 G HA3 -0.402 3.488 3.960 -0.118 0.000 0.221 53 G C 0.534 175.348 174.900 -0.143 0.000 1.109 53 G CA 2.147 47.163 45.100 -0.139 0.000 0.749 53 G HN -0.082 8.282 8.290 -0.141 -0.158 0.568 54 N N -0.634 117.970 118.700 -0.160 0.000 2.331 54 N HA -0.155 4.515 4.740 -0.116 0.000 0.180 54 N C 1.540 176.978 175.510 -0.120 0.000 1.019 54 N CA 2.073 55.036 53.050 -0.146 0.000 0.881 54 N CB 0.045 38.417 38.487 -0.191 0.000 0.972 54 N HN -0.687 7.689 8.380 -0.182 -0.106 0.435 55 E N -2.140 117.980 120.200 -0.132 0.000 2.268 55 E HA -0.176 4.172 4.350 -0.004 0.000 0.195 55 E C -0.644 175.915 176.600 -0.069 0.000 0.995 55 E CA 1.196 57.558 56.400 -0.064 0.000 0.836 55 E CB 0.144 29.792 29.700 -0.085 0.000 0.763 55 E HN -0.235 7.862 8.360 -0.191 0.149 0.491 56 N N -5.485 113.137 118.700 -0.130 0.000 2.895 56 N HA -0.463 4.215 4.740 -0.230 -0.076 0.237 56 N C -0.702 174.603 175.510 -0.343 0.000 0.934 56 N CA 1.249 54.176 53.050 -0.204 0.000 0.984 56 N CB -1.320 37.091 38.487 -0.128 0.000 1.089 56 N HN -0.692 7.428 8.380 -0.145 0.173 0.604 57 I N -1.530 118.945 120.570 -0.159 0.000 2.948 57 I HA -0.388 3.810 4.170 0.046 0.000 0.303 57 I C -0.863 175.153 176.117 -0.167 0.000 1.224 57 I CA 1.633 62.912 61.300 -0.035 0.000 1.442 57 I CB 0.240 38.337 38.000 0.161 0.000 1.328 57 I HN -0.521 7.496 8.210 -0.081 0.144 0.578 58 Y N 4.687 125.063 120.300 0.128 0.000 2.330 58 Y HA 0.410 5.189 4.550 0.105 -0.166 0.336 58 Y C 0.052 176.023 175.900 0.117 0.000 1.036 58 Y CA -0.758 57.408 58.100 0.110 0.000 1.125 58 Y CB 1.755 40.265 38.460 0.083 0.000 1.194 58 Y HN 0.185 8.660 8.280 0.325 0.000 0.469 59 I N 2.066 122.785 120.570 0.249 0.000 2.498 59 I HA 0.251 4.558 4.170 0.153 -0.045 0.301 59 I C -1.722 174.519 176.117 0.207 0.000 0.984 59 I CA -2.087 59.325 61.300 0.187 0.000 1.204 59 I CB 3.670 41.757 38.000 0.144 0.000 1.362 59 I HN 0.984 9.345 8.210 0.251 0.000 0.471 60 K N 6.705 127.215 120.400 0.184 0.000 2.363 60 K HA -0.065 4.351 4.320 0.160 0.000 0.289 60 K C -0.973 175.752 176.600 0.207 0.000 1.063 60 K CA 1.307 57.699 56.287 0.175 0.000 0.967 60 K CB -0.479 32.112 32.500 0.151 0.000 0.987 60 K HN 0.024 8.379 8.250 0.176 0.000 0.473 61 S N 3.204 119.030 115.700 0.210 0.000 2.713 61 S HA 0.375 5.030 4.470 0.309 0.000 0.296 61 S C -1.509 173.266 174.600 0.291 0.000 1.114 61 S CA -1.998 56.350 58.200 0.248 0.000 0.997 61 S CB 2.162 65.477 63.200 0.192 0.000 1.249 61 S HN 0.061 8.480 8.310 0.182 0.000 0.534 62 F N -2.573 117.426 119.950 0.081 0.000 2.668 62 F HA 0.492 5.127 4.527 0.028 -0.092 0.309 62 F C -2.954 172.857 175.800 0.018 0.000 1.117 62 F CA -1.144 56.876 58.000 0.034 0.000 0.951 62 F CB 3.352 42.361 39.000 0.016 0.000 1.323 62 F HN -0.175 8.216 8.300 0.153 0.000 0.451 63 N N 1.965 120.398 118.700 -0.445 0.000 2.446 63 N HA 0.462 4.836 4.740 -0.610 0.000 0.265 63 N C -0.018 175.161 175.510 -0.551 0.000 0.975 63 N CA -1.212 51.530 53.050 -0.513 0.000 0.928 63 N CB 1.584 39.958 38.487 -0.189 0.000 1.160 63 N HN 0.577 8.948 8.380 -0.016 0.000 0.495 64 K N 6.010 125.977 120.400 -0.722 0.000 2.211 64 K HA -0.288 3.976 4.320 -0.095 0.000 0.204 64 K C 0.538 177.047 176.600 -0.151 0.000 1.047 64 K CA 2.514 58.596 56.287 -0.341 0.000 0.935 64 K CB -0.115 32.187 32.500 -0.329 0.000 0.728 64 K HN 0.071 7.822 8.250 -0.832 0.000 0.452 65 L N -3.347 117.785 121.223 -0.151 0.000 2.265 65 L HA -0.172 4.114 4.340 -0.090 0.000 0.215 65 L C 0.945 177.781 176.870 -0.057 0.000 1.117 65 L CA 1.790 56.574 54.840 -0.094 0.000 0.782 65 L CB 0.293 42.299 42.059 -0.089 0.000 0.914 65 L HN -0.311 7.755 8.230 -0.201 0.044 0.441 66 S N -4.553 111.126 115.700 -0.035 0.000 2.998 66 S HA 0.095 4.554 4.470 -0.017 0.000 0.256 66 S C -0.879 173.740 174.600 0.032 0.000 0.970 66 S CA -0.156 58.039 58.200 -0.008 0.000 1.238 66 S CB 2.326 65.522 63.200 -0.007 0.000 1.170 66 S HN -0.717 7.538 8.310 -0.041 0.030 0.663 67 L N -1.013 120.270 121.223 0.099 0.000 3.660 67 L HA -0.424 4.292 4.340 0.550 -0.045 0.440 67 L C -2.177 174.802 176.870 0.182 0.000 1.262 67 L CA 1.002 55.968 54.840 0.211 0.000 0.837 67 L CB -3.062 39.008 42.059 0.018 0.000 1.689 67 L HN -0.255 7.903 8.230 0.078 0.119 0.890 68 I N -8.983 111.714 120.570 0.212 0.000 2.607 68 I HA 0.654 4.881 4.170 0.096 0.000 0.305 68 I C -0.895 175.343 176.117 0.201 0.000 0.995 68 I CA -3.056 58.326 61.300 0.136 0.000 1.148 68 I CB 3.221 41.259 38.000 0.064 0.000 1.323 68 I HN -0.694 7.646 8.210 0.216 0.000 0.461 69 I N 4.412 125.060 120.570 0.131 0.000 2.315 69 I HA 0.127 4.425 4.170 0.213 0.000 0.291 69 I C -0.343 175.827 176.117 0.090 0.000 1.006 69 I CA -0.595 60.785 61.300 0.133 0.000 1.265 69 I CB -0.089 37.958 38.000 0.078 0.000 1.387 69 I HN -0.132 8.128 8.210 0.083 0.000 0.475 70 E N 6.583 126.842 120.200 0.097 0.000 2.459 70 E HA 0.364 4.741 4.350 0.046 0.000 0.275 70 E C -1.979 174.675 176.600 0.089 0.000 0.987 70 E CA -1.846 54.593 56.400 0.065 0.000 0.828 70 E CB 3.718 33.444 29.700 0.043 0.000 1.428 70 E HN -0.226 8.214 8.360 0.134 0.000 0.457 71 D N -1.041 119.406 120.400 0.079 0.000 2.377 71 D HA 0.388 5.276 4.640 0.165 -0.150 0.245 71 D C -0.168 176.245 176.300 0.187 0.000 1.196 71 D CA -0.193 53.893 54.000 0.144 0.000 0.962 71 D CB 1.258 42.112 40.800 0.090 0.000 1.127 71 D HN 0.122 8.519 8.370 0.046 0.000 0.471 72 K N -2.437 118.121 120.400 0.263 0.000 2.556 72 K HA 0.340 4.836 4.320 0.293 0.000 0.289 72 K C -2.547 174.182 176.600 0.215 0.000 1.040 72 K CA -1.473 54.963 56.287 0.248 0.000 0.894 72 K CB 4.438 37.024 32.500 0.144 0.000 1.547 72 K HN -0.005 8.435 8.250 0.316 0.000 0.417 73 R N 0.265 120.776 120.500 0.018 0.000 2.460 73 R HA 0.573 4.985 4.340 -0.150 -0.161 0.303 73 R C -0.148 176.143 176.300 -0.015 0.000 0.968 73 R CA -0.690 55.325 56.100 -0.142 0.000 0.889 73 R CB 1.486 31.557 30.300 -0.381 0.000 1.123 73 R HN 0.289 8.573 8.270 0.024 0.000 0.455 74 I N 1.575 122.165 120.570 0.033 0.000 2.938 74 I HA -0.256 3.976 4.170 0.104 0.000 0.285 74 I C -0.585 175.535 176.117 0.005 0.000 1.182 74 I CA 1.545 62.889 61.300 0.074 0.000 1.388 74 I CB 0.553 38.641 38.000 0.147 0.000 1.390 74 I HN 0.113 8.349 8.210 0.043 0.000 0.600 75 L N 0.421 121.654 121.223 0.016 0.000 2.600 75 L HA 0.293 4.592 4.340 -0.068 0.000 0.213 75 L C -0.016 176.820 176.870 -0.057 0.000 1.045 75 L CA 0.673 55.491 54.840 -0.037 0.000 0.863 75 L CB 1.362 43.399 42.059 -0.036 0.000 1.189 75 L HN 0.132 8.402 8.230 0.067 0.000 0.484 76 R N -4.472 116.014 120.500 -0.023 0.000 2.855 76 R HA 0.760 5.217 4.340 -0.033 -0.137 0.266 76 R C -2.135 174.206 176.300 0.068 0.000 1.034 76 R CA -1.122 54.945 56.100 -0.055 0.000 0.944 76 R CB 4.777 34.900 30.300 -0.296 0.000 1.219 76 R HN -0.815 7.481 8.270 0.044 0.000 0.474 77 V N -5.276 114.696 119.914 0.098 0.000 3.126 77 V HA 0.630 5.095 4.120 0.415 -0.096 0.314 77 V C -2.334 173.894 176.094 0.222 0.000 1.138 77 V CA -2.711 59.772 62.300 0.304 0.000 1.034 77 V CB 3.543 35.624 31.823 0.430 0.000 1.075 77 V HN 0.353 8.587 8.190 0.073 0.000 0.442 78 W N -2.147 119.407 121.300 0.423 0.000 3.031 78 W HA 0.727 5.924 4.660 0.619 -0.166 0.337 78 W C -1.332 175.444 176.519 0.429 0.000 1.187 78 W CA -1.224 56.407 57.345 0.477 0.000 1.166 78 W CB 4.430 34.061 29.460 0.286 0.000 1.437 78 W HN 0.663 9.184 8.180 0.709 0.085 0.551 79 R N 1.123 122.003 120.500 0.634 0.000 2.673 79 R HA 0.803 5.276 4.340 -0.054 -0.165 0.281 79 R C -2.306 174.092 176.300 0.164 0.000 0.991 79 R CA -1.827 54.355 56.100 0.138 0.000 0.896 79 R CB 4.440 34.597 30.300 -0.239 0.000 1.201 79 R HN 0.506 9.304 8.270 0.881 0.000 0.457 80 K N 2.268 122.603 120.400 -0.108 0.000 2.495 80 K HA 0.247 4.414 4.320 -0.255 0.000 0.268 80 K C -2.456 174.133 176.600 -0.017 0.000 1.008 80 K CA -1.870 54.270 56.287 -0.245 0.000 0.882 80 K CB 4.246 36.390 32.500 -0.594 0.000 1.443 80 K HN 0.611 8.715 8.250 -0.244 0.000 0.447 81 K N 0.917 121.319 120.400 0.004 0.000 2.123 81 K HA 0.108 4.366 4.320 -0.104 0.000 0.259 81 K C -1.771 174.821 176.600 -0.014 0.000 0.960 81 K CA -0.640 55.609 56.287 -0.063 0.000 0.872 81 K CB 0.887 33.262 32.500 -0.208 0.000 1.079 81 K HN 0.277 8.467 8.250 -0.100 0.000 0.440 82 Y N 5.530 125.741 120.300 -0.148 0.000 2.544 82 Y HA 0.115 4.621 4.550 -0.073 0.000 0.342 82 Y C -2.567 173.297 175.900 -0.060 0.000 1.062 82 Y CA -0.859 57.197 58.100 -0.072 0.000 1.023 82 Y CB 2.993 41.445 38.460 -0.013 0.000 1.308 82 Y HN -0.087 8.195 8.280 0.004 0.000 0.457 83 S N 4.837 120.113 115.700 -0.706 0.000 2.575 83 S HA 0.778 5.312 4.470 -0.246 -0.211 0.278 83 S C -1.335 172.769 174.600 -0.827 0.000 1.139 83 S CA -1.122 56.757 58.200 -0.535 0.000 0.954 83 S CB 2.811 65.857 63.200 -0.256 0.000 1.054 83 S HN 0.179 7.870 8.310 -1.033 0.000 0.483 84 G N 2.902 111.421 108.800 -0.467 0.000 2.323 84 G HA2 -0.031 3.849 3.960 -0.133 0.000 0.291 84 G HA3 -0.031 3.717 3.960 -0.353 0.000 0.291 84 G C -2.914 172.106 174.900 0.201 0.000 1.278 84 G CA 0.519 45.501 45.100 -0.197 0.000 0.860 84 G HN 0.723 8.963 8.290 -0.083 0.000 0.504 85 K N 1.001 121.542 120.400 0.236 0.000 2.234 85 K HA 0.689 5.322 4.320 0.220 -0.181 0.277 85 K C -1.212 175.549 176.600 0.267 0.000 1.038 85 K CA -0.910 55.513 56.287 0.228 0.000 0.888 85 K CB 0.762 33.346 32.500 0.139 0.000 1.091 85 K HN 0.007 8.387 8.250 0.216 0.000 0.467 86 L N 4.578 125.910 121.223 0.180 0.000 2.334 86 L HA 0.278 4.711 4.340 0.041 -0.069 0.275 86 L C -0.619 176.256 176.870 0.008 0.000 1.036 86 L CA -1.320 53.541 54.840 0.036 0.000 0.807 86 L CB 2.545 44.527 42.059 -0.129 0.000 1.231 86 L HN 0.488 8.822 8.230 0.172 0.000 0.438 87 I N 0.394 120.946 120.570 -0.031 0.000 2.529 87 I HA -0.066 4.101 4.170 -0.004 0.000 0.284 87 I C -0.555 175.511 176.117 -0.085 0.000 1.082 87 I CA -0.691 60.586 61.300 -0.038 0.000 1.406 87 I CB -0.594 37.382 38.000 -0.040 0.000 1.405 87 I HN 0.959 9.024 8.210 -0.068 0.105 0.548 88 K N 7.114 127.479 120.400 -0.058 0.000 3.045 88 K HA 0.341 4.884 4.320 -0.088 -0.277 0.211 88 K C -1.112 175.460 176.600 -0.047 0.000 1.141 88 K CA -2.456 53.797 56.287 -0.057 0.000 1.036 88 K CB 1.284 33.772 32.500 -0.020 0.000 0.851 88 K HN 0.058 8.289 8.250 -0.032 0.000 0.462 89 I N 1.067 121.588 120.570 -0.081 0.000 2.978 89 I HA -0.338 3.812 4.170 -0.032 0.000 0.293 89 I C -0.105 176.016 176.117 0.007 0.000 1.218 89 I CA 1.492 62.758 61.300 -0.057 0.000 1.393 89 I CB -0.465 37.465 38.000 -0.117 0.000 1.394 89 I HN -0.225 7.906 8.210 -0.131 0.000 0.541 90 T N 10.530 125.109 114.554 0.041 0.000 2.881 90 T HA 0.730 5.336 4.350 0.124 -0.182 0.278 90 T C -0.329 174.442 174.700 0.118 0.000 0.982 90 T CA -0.086 62.067 62.100 0.087 0.000 0.989 90 T CB 1.499 70.397 68.868 0.051 0.000 1.058 90 T HN 0.010 8.263 8.240 0.021 0.000 0.529 91 T N -2.443 112.186 114.554 0.125 0.000 2.864 91 T HA 0.577 5.129 4.350 0.058 -0.167 0.289 91 T C 0.320 175.045 174.700 0.041 0.000 1.082 91 T CA -2.948 59.200 62.100 0.080 0.000 1.009 91 T CB 3.553 72.477 68.868 0.093 0.000 1.234 91 T HN 0.058 8.371 8.240 0.121 0.000 0.526 92 K N 1.218 121.634 120.400 0.027 0.000 2.113 92 K HA -0.333 3.997 4.320 0.017 0.000 0.208 92 K C 1.072 177.677 176.600 0.010 0.000 1.047 92 K CA 2.508 58.806 56.287 0.018 0.000 0.928 92 K CB -0.182 32.331 32.500 0.021 0.000 0.716 92 K HN -0.013 8.268 8.250 0.031 -0.012 0.446 93 N N -1.910 116.788 118.700 -0.002 0.000 2.535 93 N HA -0.079 4.653 4.740 -0.013 0.000 0.203 93 N C -0.919 174.586 175.510 -0.008 0.000 1.301 93 N CA 0.648 53.687 53.050 -0.018 0.000 0.859 93 N CB -0.187 38.270 38.487 -0.049 0.000 1.055 93 N HN -0.360 8.348 8.380 -0.004 -0.331 0.457 94 R N -7.629 112.879 120.500 0.013 0.000 3.722 94 R HA -0.410 4.017 4.340 0.039 -0.063 0.284 94 R C -0.278 176.050 176.300 0.047 0.000 1.165 94 R CA 1.021 57.139 56.100 0.031 0.000 0.779 94 R CB -3.505 26.811 30.300 0.027 0.000 1.179 94 R HN -0.367 7.766 8.270 0.017 0.147 0.491 95 R N -1.700 118.824 120.500 0.040 0.000 2.738 95 R HA -0.136 4.256 4.340 0.086 0.000 0.268 95 R C -1.279 175.151 176.300 0.218 0.000 1.062 95 R CA 0.633 56.791 56.100 0.097 0.000 1.158 95 R CB 0.853 31.120 30.300 -0.054 0.000 1.046 95 R HN -0.505 7.752 8.270 0.025 0.028 0.493 96 E N -5.289 115.100 120.200 0.315 0.000 2.417 96 E HA 0.951 5.688 4.350 0.232 -0.249 0.280 96 E C -1.894 174.816 176.600 0.185 0.000 1.112 96 E CA -0.968 55.566 56.400 0.224 0.000 0.863 96 E CB 3.545 33.305 29.700 0.100 0.000 1.346 96 E HN -0.084 8.505 8.360 0.382 0.000 0.443 97 I N -7.877 112.673 120.570 -0.033 0.000 3.279 97 I HA 0.626 4.975 4.170 -0.025 -0.194 0.315 97 I C -1.854 174.163 176.117 -0.166 0.000 1.225 97 I CA -1.902 59.324 61.300 -0.123 0.000 0.947 97 I CB 4.341 42.140 38.000 -0.336 0.000 1.293 97 I HN -0.021 8.136 8.210 -0.087 0.000 0.468 98 T N 3.235 117.662 114.554 -0.211 0.000 3.198 98 T HA 0.599 4.987 4.350 -0.219 -0.169 0.352 98 T C -1.219 173.289 174.700 -0.320 0.000 1.197 98 T CA -0.362 61.585 62.100 -0.255 0.000 1.427 98 T CB 0.245 68.940 68.868 -0.289 0.000 0.983 98 T HN 0.386 8.965 8.240 -0.197 -0.457 0.560 99 L N 0.870 121.896 121.223 -0.328 0.000 2.397 99 L HA 0.720 4.846 4.340 -0.357 0.000 0.251 99 L C -1.419 175.290 176.870 -0.267 0.000 1.064 99 L CA -2.611 51.996 54.840 -0.388 0.000 0.859 99 L CB 1.897 43.507 42.059 -0.749 0.000 1.468 99 L HN -0.219 7.845 8.230 -0.277 0.000 0.411 100 T N -3.125 111.318 114.554 -0.186 0.000 2.748 100 T HA 0.133 4.377 4.350 -0.175 0.000 0.304 100 T C 1.301 175.958 174.700 -0.073 0.000 1.041 100 T CA -0.379 61.633 62.100 -0.148 0.000 1.033 100 T CB 1.034 69.834 68.868 -0.113 0.000 0.995 100 T HN -0.062 8.119 8.240 -0.099 0.000 0.536 101 H N -1.985 117.111 119.070 0.043 0.000 2.448 101 H HA -0.183 4.376 4.556 0.006 0.000 0.292 101 H C -0.041 175.312 175.328 0.041 0.000 1.035 101 H CA 2.221 58.287 56.048 0.029 0.000 1.349 101 H CB -0.084 29.697 29.762 0.031 0.000 1.425 101 H HN 0.428 8.232 8.280 -0.793 0.000 0.539 102 D N 0.383 120.823 120.400 0.067 0.000 2.690 102 D HA -0.025 4.823 4.640 0.122 -0.135 0.236 102 D C -1.559 174.763 176.300 0.037 0.000 1.218 102 D CA -0.218 53.831 54.000 0.082 0.000 0.829 102 D CB -1.268 39.577 40.800 0.075 0.000 1.009 102 D HN 0.040 8.265 8.370 -0.242 0.000 0.482 103 H N 0.996 120.027 119.070 -0.064 0.000 2.604 103 H HA 0.160 4.649 4.556 -0.113 0.000 0.306 103 H C -2.064 173.207 175.328 -0.095 0.000 1.075 103 H CA -1.545 54.446 56.048 -0.095 0.000 1.357 103 H CB 1.846 31.541 29.762 -0.111 0.000 1.426 103 H HN -0.947 7.321 8.280 0.138 0.095 0.470 104 P HA 0.228 4.776 4.420 -0.111 -0.195 0.271 104 P C -1.213 175.977 177.300 -0.184 0.000 1.233 104 P CA -0.008 63.003 63.100 -0.149 0.000 0.764 104 P CB 0.104 31.709 31.700 -0.158 0.000 0.825 105 V N -0.987 118.760 119.914 -0.278 0.000 3.182 105 V HA 0.431 4.290 4.120 -0.436 0.000 0.308 105 V C -2.282 173.496 176.094 -0.527 0.000 1.240 105 V CA -2.852 59.240 62.300 -0.346 0.000 1.063 105 V CB 3.299 35.069 31.823 -0.089 0.000 1.076 105 V HN 0.655 8.702 8.190 -0.239 0.000 0.446 106 Y N -2.039 118.348 120.300 0.145 0.000 2.446 106 Y HA 0.950 5.762 4.550 0.143 -0.176 0.338 106 Y C 0.563 176.628 175.900 0.277 0.000 1.055 106 Y CA -1.540 56.668 58.100 0.180 0.000 1.101 106 Y CB 2.713 41.251 38.460 0.131 0.000 1.221 106 Y HN 0.272 8.613 8.280 0.101 0.000 0.460 107 I N -4.966 115.880 120.570 0.460 0.000 3.074 107 I HA 0.881 5.417 4.170 0.328 -0.169 0.310 107 I C -1.511 174.871 176.117 0.442 0.000 1.153 107 I CA -2.450 59.069 61.300 0.365 0.000 0.993 107 I CB 4.865 42.984 38.000 0.199 0.000 1.237 107 I HN 0.883 9.362 8.210 0.449 0.000 0.443 108 S N 0.966 116.795 115.700 0.215 0.000 2.528 108 S HA 0.217 5.081 4.470 0.387 -0.162 0.277 108 S C 0.261 174.965 174.600 0.173 0.000 1.297 108 S CA -0.298 58.013 58.200 0.185 0.000 1.052 108 S CB 0.873 64.044 63.200 -0.047 0.000 0.917 108 S HN 0.179 8.569 8.310 0.133 0.000 0.492 109 K N 8.723 129.225 120.400 0.170 0.000 2.385 109 K HA 0.314 4.696 4.320 0.103 0.000 0.229 109 K C -0.324 176.330 176.600 0.090 0.000 1.089 109 K CA -0.969 55.386 56.287 0.114 0.000 1.060 109 K CB -0.429 32.133 32.500 0.103 0.000 1.698 109 K HN 0.864 9.141 8.250 0.218 0.104 0.469 110 T N 2.840 117.436 114.554 0.071 0.000 5.221 110 T HA -0.324 4.040 4.350 0.023 0.000 0.299 110 T C -0.345 174.374 174.700 0.032 0.000 1.489 110 T CA 1.557 63.681 62.100 0.040 0.000 2.593 110 T CB -1.310 67.581 68.868 0.039 0.000 1.859 110 T HN 0.750 9.038 8.240 0.079 0.000 0.982 111 G N -3.262 105.573 108.800 0.058 0.000 2.813 111 G HA2 -0.271 3.727 3.960 0.063 0.000 0.194 111 G HA3 -0.271 3.716 3.960 0.044 0.000 0.194 111 G C -1.613 173.351 174.900 0.107 0.000 1.010 111 G CA -0.325 44.816 45.100 0.068 0.000 0.771 111 G HN -0.235 8.045 8.290 0.086 0.062 0.485 112 E N 2.258 122.524 120.200 0.110 0.000 2.266 112 E HA 0.195 4.589 4.350 0.073 0.000 0.277 112 E C -0.831 175.872 176.600 0.171 0.000 1.018 112 E CA -0.884 55.578 56.400 0.103 0.000 0.840 112 E CB 1.584 31.329 29.700 0.075 0.000 1.082 112 E HN -0.080 8.211 8.360 0.104 0.131 0.395 113 V N 5.380 125.349 119.914 0.092 0.000 2.508 113 V HA 0.186 4.593 4.120 0.236 -0.145 0.281 113 V C -0.097 176.073 176.094 0.127 0.000 1.041 113 V CA 1.367 63.700 62.300 0.055 0.000 1.016 113 V CB 0.211 31.883 31.823 -0.253 0.000 0.984 113 V HN 0.373 8.578 8.190 0.024 0.000 0.478 114 L N 8.295 129.654 121.223 0.227 0.000 2.333 114 L HA 0.536 4.978 4.340 0.169 0.000 0.263 114 L C -1.799 175.243 176.870 0.287 0.000 1.014 114 L CA -1.421 53.544 54.840 0.208 0.000 0.820 114 L CB 4.827 46.979 42.059 0.156 0.000 1.352 114 L HN 0.604 9.023 8.230 0.314 0.000 0.421 115 E N 2.309 122.631 120.200 0.203 0.000 2.155 115 E HA 0.762 5.277 4.350 0.001 -0.164 0.264 115 E C -1.226 175.381 176.600 0.010 0.000 0.886 115 E CA -1.551 54.904 56.400 0.092 0.000 0.752 115 E CB 0.997 30.788 29.700 0.153 0.000 1.133 115 E HN 0.025 8.481 8.360 0.160 0.000 0.414 116 I N -1.139 119.406 120.570 -0.042 0.000 3.354 116 I HA 0.533 4.700 4.170 -0.005 0.000 0.316 116 I C -2.029 174.068 176.117 -0.034 0.000 1.182 116 I CA -2.023 59.268 61.300 -0.015 0.000 0.942 116 I CB 3.878 41.889 38.000 0.019 0.000 1.299 116 I HN 0.663 8.803 8.210 -0.116 0.000 0.473 117 N N -0.401 118.299 118.700 -0.001 0.000 2.514 117 N HA 0.140 5.041 4.740 0.019 -0.150 0.277 117 N C 1.372 176.892 175.510 0.017 0.000 1.126 117 N CA -0.448 52.613 53.050 0.019 0.000 0.978 117 N CB 0.246 38.760 38.487 0.045 0.000 1.106 117 N HN 0.125 8.511 8.380 0.009 0.000 0.461 118 A N 5.952 128.785 122.820 0.023 0.000 1.927 118 A HA -0.335 3.966 4.320 -0.030 0.000 0.220 118 A C 1.994 179.582 177.584 0.007 0.000 1.185 118 A CA 3.349 55.383 52.037 -0.006 0.000 0.639 118 A CB -0.175 18.807 19.000 -0.031 0.000 0.820 118 A HN 0.797 8.974 8.150 0.045 0.000 0.451 119 E N -3.178 117.048 120.200 0.044 0.000 2.333 119 E HA -0.296 4.069 4.350 0.026 0.000 0.198 119 E C 1.476 178.083 176.600 0.012 0.000 1.007 119 E CA 2.240 58.662 56.400 0.036 0.000 0.845 119 E CB -0.502 29.234 29.700 0.061 0.000 0.766 119 E HN -0.287 8.119 8.360 0.076 0.000 0.507 120 M N -3.080 116.527 119.600 0.012 0.000 2.447 120 M HA -0.047 4.435 4.480 0.002 0.000 0.264 120 M C 0.813 177.113 176.300 -0.001 0.000 1.095 120 M CA 1.338 56.641 55.300 0.006 0.000 1.125 120 M CB 0.635 33.243 32.600 0.013 0.000 1.389 120 M HN -0.166 7.976 8.290 0.019 0.159 0.459 121 V N 0.728 120.640 119.914 -0.004 0.000 1.935 121 V HA -0.170 3.948 4.120 -0.004 0.000 0.262 121 V C -0.538 175.540 176.094 -0.027 0.000 1.726 121 V CA 0.391 62.685 62.300 -0.010 0.000 1.656 121 V CB -2.968 28.851 31.823 -0.007 0.000 1.532 121 V HN -0.551 7.477 8.190 -0.002 0.161 0.509 122 K N 2.070 122.450 120.400 -0.032 0.000 2.520 122 K HA 0.114 4.411 4.320 -0.037 0.000 0.256 122 K C 0.797 177.356 176.600 -0.069 0.000 1.033 122 K CA -1.804 54.459 56.287 -0.042 0.000 1.007 122 K CB 1.402 33.883 32.500 -0.032 0.000 1.330 122 K HN -0.395 7.794 8.250 -0.027 0.045 0.507 123 V N -0.947 118.925 119.914 -0.070 0.000 3.284 123 V HA -0.204 3.849 4.120 -0.112 0.000 0.273 123 V C 0.348 176.362 176.094 -0.134 0.000 1.178 123 V CA 2.182 64.424 62.300 -0.096 0.000 1.177 123 V CB -0.169 31.615 31.823 -0.064 0.000 0.793 123 V HN 0.528 8.687 8.190 -0.052 0.000 0.536 124 G N -3.176 105.554 108.800 -0.117 0.000 3.324 124 G HA2 0.061 3.933 3.960 -0.148 0.000 0.251 124 G HA3 0.061 3.978 3.960 -0.073 0.000 0.251 124 G C -0.839 173.982 174.900 -0.132 0.000 1.072 124 G CA -0.867 44.161 45.100 -0.120 0.000 0.787 124 G HN -0.247 7.862 8.290 -0.092 0.126 0.537 125 D N 0.691 121.000 120.400 -0.151 0.000 2.342 125 D HA 0.255 4.862 4.640 -0.055 0.000 0.243 125 D C -1.565 174.614 176.300 -0.202 0.000 1.019 125 D CA -0.810 53.128 54.000 -0.103 0.000 0.864 125 D CB 3.464 44.252 40.800 -0.020 0.000 1.315 125 D HN -0.064 8.112 8.370 -0.156 0.101 0.468 126 Y N 0.564 120.854 120.300 -0.017 0.000 2.477 126 Y HA -0.010 4.515 4.550 -0.042 0.000 0.349 126 Y C -0.432 175.443 175.900 -0.042 0.000 0.977 126 Y CA -0.049 58.017 58.100 -0.056 0.000 1.214 126 Y CB 0.385 38.773 38.460 -0.119 0.000 1.124 126 Y HN 0.349 8.696 8.280 0.112 0.000 0.521 127 I N 5.722 126.368 120.570 0.127 0.000 2.436 127 I HA -0.028 4.394 4.170 0.194 -0.135 0.289 127 I C -1.286 174.952 176.117 0.202 0.000 1.083 127 I CA -0.598 60.814 61.300 0.188 0.000 1.372 127 I CB 0.944 39.074 38.000 0.217 0.000 1.408 127 I HN 0.297 8.558 8.210 0.086 0.000 0.516 128 Y N 8.727 129.148 120.300 0.202 0.000 2.702 128 Y HA -0.219 4.383 4.550 0.087 0.000 0.336 128 Y C 0.115 176.075 175.900 0.100 0.000 1.235 128 Y CA 2.616 60.793 58.100 0.128 0.000 1.492 128 Y CB 0.466 38.996 38.460 0.117 0.000 1.308 128 Y HN -0.076 8.346 8.280 0.429 0.115 0.589 129 I N -1.370 119.277 120.570 0.129 0.000 2.934 129 I HA 0.589 4.708 4.170 -0.086 0.000 0.306 129 I C -2.592 173.455 176.117 -0.117 0.000 1.110 129 I CA -4.211 57.035 61.300 -0.091 0.000 1.019 129 I CB 2.280 40.103 38.000 -0.295 0.000 1.227 129 I HN 0.469 8.738 8.210 0.099 0.000 0.434 130 P HA 0.366 4.771 4.420 -0.190 -0.098 0.274 130 P C -1.278 175.930 177.300 -0.154 0.000 1.246 130 P CA -0.585 62.399 63.100 -0.193 0.000 0.795 130 P CB 1.382 32.957 31.700 -0.208 0.000 1.006 131 K N -0.319 120.015 120.400 -0.110 0.000 1.776 131 K HA 0.315 4.572 4.320 -0.105 0.000 0.262 131 K C 0.430 176.988 176.600 -0.071 0.000 0.971 131 K CA -2.557 53.678 56.287 -0.088 0.000 0.943 131 K CB 2.416 34.878 32.500 -0.064 0.000 2.334 131 K HN 0.355 8.446 8.250 -0.098 0.100 0.894 132 N N -0.120 118.551 118.700 -0.049 0.000 2.009 132 N HA -0.245 4.473 4.740 -0.037 0.000 0.195 132 N C 0.684 176.180 175.510 -0.023 0.000 1.076 132 N CA 2.542 55.572 53.050 -0.034 0.000 0.863 132 N CB -0.214 38.258 38.487 -0.024 0.000 1.062 132 N HN 0.205 8.558 8.380 -0.045 0.000 0.425 133 N N -3.452 115.240 118.700 -0.014 0.000 2.236 133 N HA 0.132 4.875 4.740 0.005 0.000 0.196 133 N C -1.029 174.483 175.510 0.003 0.000 1.114 133 N CA 0.411 53.460 53.050 -0.001 0.000 0.859 133 N CB 0.817 39.305 38.487 0.001 0.000 0.982 133 N HN 0.134 8.504 8.380 -0.016 0.000 0.493 134 T N -6.376 108.170 114.554 -0.014 0.000 2.669 134 T HA 0.359 4.709 4.350 -0.000 0.000 0.283 134 T C -1.650 173.026 174.700 -0.040 0.000 1.019 134 T CA -2.646 59.446 62.100 -0.014 0.000 1.039 134 T CB 2.679 71.540 68.868 -0.012 0.000 1.374 134 T HN -0.813 7.338 8.240 -0.024 0.074 0.523 135 I N -0.348 120.206 120.570 -0.026 0.000 2.608 135 I HA 0.431 4.662 4.170 -0.068 -0.102 0.295 135 I C -2.329 173.813 176.117 0.043 0.000 1.049 135 I CA -1.687 59.603 61.300 -0.017 0.000 1.063 135 I CB 3.598 41.570 38.000 -0.047 0.000 1.248 135 I HN 0.243 8.450 8.210 -0.004 0.000 0.424 136 N N 5.757 124.479 118.700 0.036 0.000 2.831 136 N HA 0.337 5.065 4.740 -0.020 0.000 0.276 136 N C -2.629 172.819 175.510 -0.104 0.000 1.416 136 N CA -1.372 51.662 53.050 -0.027 0.000 0.799 136 N CB 4.083 42.532 38.487 -0.063 0.000 1.554 136 N HN 0.760 9.166 8.380 0.043 0.000 0.541 137 L N -2.269 118.836 121.223 -0.196 0.000 2.334 137 L HA 0.234 4.426 4.340 -0.246 0.000 0.273 137 L C -0.929 175.897 176.870 -0.074 0.000 1.013 137 L CA -0.911 53.787 54.840 -0.237 0.000 0.816 137 L CB 1.574 43.371 42.059 -0.437 0.000 1.278 137 L HN 0.163 8.295 8.230 -0.163 0.000 0.431 138 D N 1.071 121.512 120.400 0.068 0.000 2.661 138 D HA 0.161 4.880 4.640 0.132 0.000 0.228 138 D C -2.405 174.029 176.300 0.223 0.000 1.183 138 D CA -1.451 52.625 54.000 0.128 0.000 0.844 138 D CB 4.130 44.943 40.800 0.021 0.000 1.555 138 D HN -0.081 8.359 8.370 0.116 0.000 0.453 139 E N -0.145 120.149 120.200 0.156 0.000 2.266 139 E HA 0.090 4.234 4.350 -0.343 0.000 0.277 139 E C 0.494 177.052 176.600 -0.071 0.000 1.018 139 E CA -0.843 55.520 56.400 -0.063 0.000 0.840 139 E CB 1.924 31.609 29.700 -0.024 0.000 1.082 139 E HN 0.150 8.596 8.360 0.143 0.000 0.395 140 V N 5.329 125.159 119.914 -0.140 0.000 3.380 140 V HA -0.231 4.046 4.120 0.007 -0.153 0.268 140 V C 1.502 177.574 176.094 -0.036 0.000 1.168 140 V CA 1.698 63.965 62.300 -0.056 0.000 1.156 140 V CB -0.449 31.329 31.823 -0.075 0.000 0.785 140 V HN 0.524 8.548 8.190 -0.276 0.000 0.487 141 I N -4.264 116.277 120.570 -0.049 0.000 4.838 141 I HA -0.603 3.544 4.170 -0.039 0.000 0.045 141 I C -0.536 175.569 176.117 -0.020 0.000 0.634 141 I CA 2.845 64.128 61.300 -0.029 0.000 0.405 141 I CB -1.582 36.413 38.000 -0.009 0.000 0.432 141 I HN -0.211 8.151 8.210 -0.074 -0.197 0.155 142 K N 3.314 123.711 120.400 -0.005 0.000 2.258 142 K HA 0.017 4.334 4.320 -0.005 0.000 0.284 142 K C -1.288 175.309 176.600 -0.005 0.000 1.051 142 K CA -0.279 56.007 56.287 -0.002 0.000 0.923 142 K CB 0.616 33.121 32.500 0.008 0.000 1.046 142 K HN -0.252 7.999 8.250 0.003 0.000 0.474 143 V N 3.700 123.608 119.914 -0.009 0.000 2.340 143 V HA 0.243 4.355 4.120 -0.013 0.000 0.277 143 V C -1.114 174.977 176.094 -0.006 0.000 1.017 143 V CA -0.958 61.335 62.300 -0.012 0.000 0.820 143 V CB -0.240 31.572 31.823 -0.019 0.000 1.028 143 V HN 0.286 8.471 8.190 -0.009 0.000 0.436 144 E N 6.834 127.033 120.200 -0.002 0.000 2.368 144 E HA 0.435 4.788 4.350 0.006 0.000 0.257 144 E C -2.014 174.590 176.600 0.008 0.000 1.022 144 E CA -1.324 55.080 56.400 0.005 0.000 0.886 144 E CB 2.057 31.763 29.700 0.010 0.000 1.740 144 E HN 0.125 8.481 8.360 -0.005 0.000 0.456 145 T N -3.556 111.010 114.554 0.020 0.000 2.831 145 T HA 0.845 5.299 4.350 0.018 -0.094 0.287 145 T C -0.515 174.212 174.700 0.045 0.000 1.070 145 T CA -1.724 60.395 62.100 0.032 0.000 1.010 145 T CB 2.704 71.601 68.868 0.049 0.000 1.264 145 T HN -0.052 8.202 8.240 0.024 0.000 0.532 146 V N -5.712 114.242 119.914 0.066 0.000 3.046 146 V HA 0.537 4.713 4.120 0.094 0.000 0.316 146 V C -1.539 174.644 176.094 0.149 0.000 1.104 146 V CA -3.062 59.303 62.300 0.108 0.000 1.006 146 V CB 3.410 35.313 31.823 0.135 0.000 1.058 146 V HN 0.520 8.750 8.190 0.068 0.000 0.440 147 D N 1.608 122.106 120.400 0.163 0.000 2.177 147 D HA 0.462 5.361 4.640 0.187 -0.147 0.247 147 D C -1.250 175.216 176.300 0.277 0.000 1.063 147 D CA 0.628 54.734 54.000 0.177 0.000 0.867 147 D CB 1.966 42.822 40.800 0.094 0.000 1.168 147 D HN 0.005 8.463 8.370 0.146 0.000 0.445 148 Y N 4.439 124.825 120.300 0.144 0.000 2.513 148 Y HA 0.174 4.788 4.550 0.107 0.000 0.340 148 Y C -2.195 173.817 175.900 0.186 0.000 1.055 148 Y CA -0.196 58.006 58.100 0.170 0.000 1.020 148 Y CB 4.597 43.176 38.460 0.200 0.000 1.301 148 Y HN 0.629 9.122 8.280 0.356 0.000 0.453 149 N N 1.297 119.961 118.700 -0.060 0.000 2.286 149 N HA 0.198 5.004 4.740 -0.030 -0.083 0.245 149 N C -1.191 174.243 175.510 -0.127 0.000 1.363 149 N CA -0.329 52.676 53.050 -0.075 0.000 0.822 149 N CB 1.722 40.133 38.487 -0.128 0.000 1.345 149 N HN 0.207 8.291 8.380 -0.494 0.000 0.494 150 G N 0.309 109.071 108.800 -0.063 0.000 3.198 150 G HA2 0.146 4.001 3.960 -0.176 0.000 0.203 150 G HA3 0.146 4.066 3.960 -0.067 0.000 0.203 150 G C -1.771 173.037 174.900 -0.154 0.000 1.950 150 G CA -0.281 44.757 45.100 -0.103 0.000 0.798 150 G HN -0.364 8.023 8.290 0.162 0.000 0.720 151 H N -1.806 117.360 119.070 0.160 0.000 2.894 151 H HA 0.363 4.980 4.556 0.020 -0.049 0.368 151 H C -1.468 173.892 175.328 0.053 0.000 1.181 151 H CA -0.063 56.007 56.048 0.037 0.000 1.146 151 H CB 3.767 33.470 29.762 -0.099 0.000 1.839 151 H HN -0.273 8.241 8.280 0.390 0.000 0.557 152 I N -6.900 113.602 120.570 -0.113 0.000 3.002 152 I HA 0.828 5.191 4.170 0.119 -0.121 0.310 152 I C -2.065 173.762 176.117 -0.483 0.000 1.087 152 I CA -2.081 59.139 61.300 -0.134 0.000 1.017 152 I CB 3.816 41.771 38.000 -0.076 0.000 1.226 152 I HN 0.644 8.764 8.210 -0.150 0.000 0.443 153 Y N -2.092 118.299 120.300 0.152 0.000 2.562 153 Y HA 0.609 5.462 4.550 0.265 -0.144 0.345 153 Y C -1.704 174.311 175.900 0.192 0.000 1.045 153 Y CA -1.078 57.135 58.100 0.189 0.000 1.028 153 Y CB 3.899 42.428 38.460 0.114 0.000 1.297 153 Y HN 0.244 8.670 8.280 0.243 0.000 0.463 154 D N -1.879 118.771 120.400 0.417 0.000 2.752 154 D HA 0.386 5.148 4.640 0.204 0.000 0.313 154 D C -2.413 174.145 176.300 0.430 0.000 1.225 154 D CA -1.882 52.298 54.000 0.299 0.000 0.976 154 D CB 3.913 44.800 40.800 0.146 0.000 1.443 154 D HN -0.051 8.643 8.370 0.540 0.000 0.515 155 L N -2.258 119.187 121.223 0.371 0.000 2.230 155 L HA 0.547 5.257 4.340 0.464 -0.092 0.255 155 L C -0.589 176.581 176.870 0.501 0.000 1.039 155 L CA -1.292 53.797 54.840 0.415 0.000 0.846 155 L CB 4.464 46.656 42.059 0.222 0.000 1.419 155 L HN 0.288 8.672 8.230 0.256 0.000 0.435 156 T N 3.222 118.019 114.554 0.406 0.000 3.064 156 T HA 0.337 5.111 4.350 0.354 -0.211 0.367 156 T C -1.486 173.369 174.700 0.258 0.000 1.202 156 T CA -0.357 61.943 62.100 0.333 0.000 1.133 156 T CB 0.081 69.105 68.868 0.260 0.000 1.074 156 T HN 0.220 8.657 8.240 0.328 0.000 0.519 157 V N 8.967 129.067 119.914 0.310 0.000 2.217 157 V HA 0.341 4.585 4.120 0.207 0.000 0.264 157 V C -0.975 175.309 176.094 0.317 0.000 1.107 157 V CA -2.122 60.348 62.300 0.283 0.000 0.913 157 V CB -0.903 31.133 31.823 0.355 0.000 1.153 157 V HN -0.381 8.020 8.190 0.352 0.000 0.469 158 E N 3.156 123.506 120.200 0.250 0.000 2.358 158 E HA -0.209 4.494 4.350 0.588 0.000 0.195 158 E C 0.071 176.688 176.600 0.028 0.000 1.010 158 E CA 1.906 58.463 56.400 0.262 0.000 0.856 158 E CB 0.077 29.866 29.700 0.149 0.000 0.795 158 E HN 0.061 8.519 8.360 0.164 0.000 0.504 159 D N -0.621 119.803 120.400 0.041 0.000 2.123 159 D HA -0.119 4.488 4.640 -0.056 0.000 0.200 159 D C 0.451 176.721 176.300 -0.049 0.000 0.976 159 D CA 2.837 56.825 54.000 -0.020 0.000 0.831 159 D CB -0.093 40.715 40.800 0.013 0.000 0.974 159 D HN 0.183 8.531 8.370 0.098 0.081 0.469 160 N N -3.836 114.851 118.700 -0.023 0.000 2.160 160 N HA 0.041 4.723 4.740 -0.098 0.000 0.226 160 N C -0.873 174.649 175.510 0.020 0.000 1.256 160 N CA -0.740 52.268 53.050 -0.069 0.000 0.890 160 N CB 1.209 39.612 38.487 -0.139 0.000 1.116 160 N HN -0.059 8.343 8.380 0.037 0.000 0.517 161 H N -4.037 115.039 119.070 0.010 0.000 2.741 161 H HA -0.352 4.462 4.556 0.072 -0.215 0.305 161 H C -1.975 173.327 175.328 -0.044 0.000 1.169 161 H CA 0.635 56.695 56.048 0.019 0.000 1.144 161 H CB -1.840 27.934 29.762 0.021 0.000 1.397 161 H HN -0.491 7.869 8.280 0.175 0.025 0.409 162 T N -6.827 107.745 114.554 0.030 0.000 2.956 162 T HA 0.887 5.436 4.350 -0.053 -0.230 0.312 162 T C -1.324 173.439 174.700 0.106 0.000 1.151 162 T CA -1.814 60.255 62.100 -0.051 0.000 1.024 162 T CB 3.314 71.929 68.868 -0.422 0.000 1.140 162 T HN -0.641 7.632 8.240 0.073 0.011 0.473 163 Y N -1.198 119.278 120.300 0.293 0.000 2.677 163 Y HA 0.573 5.268 4.550 0.243 0.000 0.334 163 Y C -2.731 173.363 175.900 0.323 0.000 1.154 163 Y CA -3.193 55.071 58.100 0.273 0.000 1.070 163 Y CB 2.073 40.662 38.460 0.216 0.000 1.294 163 Y HN 0.182 8.439 8.280 -0.039 0.000 0.475 164 I N 0.203 121.110 120.570 0.561 0.000 2.385 164 I HA 0.662 5.300 4.170 0.405 -0.226 0.294 164 I C -0.354 176.042 176.117 0.466 0.000 0.988 164 I CA -1.808 59.748 61.300 0.427 0.000 1.265 164 I CB 0.362 38.493 38.000 0.219 0.000 1.388 164 I HN -0.082 8.420 8.210 0.487 0.000 0.480 165 A N 4.390 127.487 122.820 0.461 0.000 2.610 165 A HA 0.515 5.173 4.320 0.408 -0.093 0.291 165 A C -2.071 175.758 177.584 0.409 0.000 1.086 165 A CA -0.794 51.464 52.037 0.368 0.000 0.677 165 A CB 3.643 22.737 19.000 0.157 0.000 1.278 165 A HN 0.595 9.015 8.150 0.450 0.000 0.414 166 G N -1.723 107.312 108.800 0.392 0.000 2.315 166 G HA2 -0.115 4.159 3.960 0.180 0.000 0.296 166 G HA3 -0.115 4.116 3.960 0.451 0.000 0.296 166 G C -2.143 172.985 174.900 0.380 0.000 1.289 166 G CA 0.028 45.333 45.100 0.342 0.000 0.996 166 G HN 0.302 8.792 8.290 0.334 0.000 0.487 167 K N 0.598 121.187 120.400 0.314 0.000 2.168 167 K HA 0.492 4.970 4.320 0.263 0.000 0.239 167 K C 0.189 176.956 176.600 0.278 0.000 0.999 167 K CA -1.540 54.905 56.287 0.264 0.000 0.900 167 K CB 1.828 34.417 32.500 0.147 0.000 1.111 167 K HN 0.288 8.726 8.250 0.313 0.000 0.452 168 N N -1.595 117.239 118.700 0.222 0.000 3.788 168 N HA -0.384 4.437 4.740 0.135 0.000 0.214 168 N C -0.087 175.536 175.510 0.188 0.000 0.294 168 N CA 2.927 56.068 53.050 0.151 0.000 2.466 168 N CB -0.912 37.611 38.487 0.061 0.000 1.407 168 N HN 0.477 8.972 8.380 0.192 0.000 0.362 169 E N 1.976 122.155 120.200 -0.034 0.000 2.474 169 E HA 0.084 4.285 4.350 -0.249 0.000 0.215 169 E C -0.401 175.539 176.600 -1.099 0.000 0.867 169 E CA -0.391 55.765 56.400 -0.406 0.000 1.135 169 E CB 2.571 32.114 29.700 -0.261 0.000 1.147 169 E HN -0.059 8.225 8.360 -0.052 0.045 0.534 170 G N -0.553 107.954 108.800 -0.488 0.000 2.525 170 G HA2 -0.215 3.953 3.960 0.231 0.000 0.685 170 G HA3 -0.215 3.542 3.960 -0.339 0.000 0.685 170 G C -2.265 172.529 174.900 -0.178 0.000 1.290 170 G CA -0.458 44.531 45.100 -0.186 0.000 0.915 170 G HN -0.697 7.423 8.290 -0.285 0.000 0.548 171 F N -0.880 119.058 119.950 -0.019 0.000 2.495 171 F HA 0.301 4.813 4.527 -0.025 0.000 0.327 171 F C -1.138 174.703 175.800 0.069 0.000 1.103 171 F CA -1.704 56.307 58.000 0.018 0.000 0.949 171 F CB 3.190 42.224 39.000 0.058 0.000 1.142 171 F HN 0.585 9.051 8.300 0.470 0.116 0.457 172 A N 5.381 128.291 122.820 0.150 0.000 2.539 172 A HA 0.567 5.225 4.320 0.208 -0.213 0.306 172 A C -0.949 176.784 177.584 0.247 0.000 1.392 172 A CA -0.740 51.320 52.037 0.039 0.000 1.060 172 A CB -1.053 17.572 19.000 -0.625 0.000 1.134 172 A HN 0.407 8.630 8.150 0.121 0.000 0.542 173 V N -3.231 116.872 119.914 0.314 0.000 3.164 173 V HA 0.677 5.112 4.120 0.525 0.000 0.313 173 V C -0.921 175.257 176.094 0.141 0.000 1.188 173 V CA -3.946 58.523 62.300 0.282 0.000 1.058 173 V CB 2.925 34.837 31.823 0.148 0.000 1.110 173 V HN -0.083 8.265 8.190 0.263 0.000 0.453 174 S N -0.372 115.366 115.700 0.063 0.000 2.568 174 S HA -0.163 4.522 4.470 0.160 -0.119 0.282 174 S C -0.935 173.391 174.600 -0.456 0.000 1.338 174 S CA 0.871 59.050 58.200 -0.035 0.000 1.045 174 S CB 0.518 63.690 63.200 -0.046 0.000 0.873 174 S HN -0.017 8.254 8.310 -0.065 0.000 0.516 175 A N 4.791 127.433 122.820 -0.298 0.000 2.387 175 A HA 0.370 4.637 4.320 -0.089 0.000 0.303 175 A C -1.723 175.797 177.584 -0.107 0.000 1.145 175 A CA -1.210 50.750 52.037 -0.129 0.000 0.801 175 A CB 2.744 21.844 19.000 0.166 0.000 1.342 175 A HN 0.283 8.272 8.150 -0.109 0.095 0.440 176 S N -2.711 112.967 115.700 -0.037 0.000 3.629 176 S HA 0.479 4.552 4.470 -0.662 0.000 0.319 176 S C -1.279 173.396 174.600 0.125 0.000 1.149 176 S CA -0.852 57.218 58.200 -0.217 0.000 1.099 176 S CB 2.532 65.548 63.200 -0.308 0.000 1.433 176 S HN 0.050 8.421 8.310 0.101 0.000 0.736 177 S N 1.689 117.459 115.700 0.118 0.000 4.055 177 S HA 0.294 4.923 4.470 0.266 0.000 0.180 177 S C -0.086 174.563 174.600 0.082 0.000 1.191 177 S CA 0.124 58.460 58.200 0.227 0.000 1.195 177 S CB 0.631 64.091 63.200 0.432 0.000 1.932 177 S HN 0.116 8.413 8.310 -0.021 0.000 0.781 178 G N 3.102 111.979 108.800 0.127 0.000 2.356 178 G HA2 0.217 4.159 3.960 -0.030 0.000 0.300 178 G HA3 0.217 4.249 3.960 0.120 0.000 0.300 178 G C -1.311 173.599 174.900 0.017 0.000 1.107 178 G CA -0.556 44.578 45.100 0.057 0.000 0.960 178 G HN 0.207 8.633 8.290 0.227 0.000 0.418 179 T N 0.621 115.138 114.554 -0.062 0.000 0.541 179 T HA -0.418 3.915 4.350 -0.028 0.000 0.774 179 T C -0.718 173.957 174.700 -0.043 0.000 0.992 179 T CA -0.272 61.802 62.100 -0.044 0.000 4.077 179 T CB -0.023 68.813 68.868 -0.053 0.000 2.303 179 T HN -0.217 7.940 8.240 -0.139 0.000 0.398 180 L N 5.230 126.372 121.223 -0.135 0.000 2.505 180 L HA -0.059 4.186 4.340 -0.159 0.000 0.275 180 L C -0.328 176.176 176.870 -0.610 0.000 1.264 180 L CA -0.119 54.502 54.840 -0.366 0.000 1.148 180 L CB -1.406 40.297 42.059 -0.594 0.000 1.377 180 L HN 0.318 8.455 8.230 -0.155 0.000 0.442 181 H N 0.627 119.638 119.070 -0.099 0.000 2.672 181 H HA -0.388 4.110 4.556 -0.097 0.000 0.325 181 H C -1.228 174.080 175.328 -0.034 0.000 1.158 181 H CA 0.643 56.644 56.048 -0.078 0.000 1.134 181 H CB -2.840 26.911 29.762 -0.018 0.000 1.553 181 H HN 0.306 8.462 8.280 -0.137 0.042 0.419 182 H N 2.021 121.029 119.070 -0.104 0.000 2.355 182 H HA -0.087 4.454 4.556 -0.025 0.000 0.303 182 H C -0.013 175.311 175.328 -0.006 0.000 1.061 182 H CA 0.703 56.729 56.048 -0.036 0.000 1.368 182 H CB 1.098 30.861 29.762 0.002 0.000 1.412 182 H HN -0.653 7.668 8.280 0.069 0.000 0.523 183 H N -1.288 117.763 119.070 -0.031 0.000 2.309 183 H HA -0.351 4.089 4.556 -0.193 0.000 0.291 183 H C -1.382 173.645 175.328 -0.501 0.000 0.807 183 H CA 0.068 55.954 56.048 -0.270 0.000 0.956 183 H CB -0.856 28.707 29.762 -0.331 0.000 1.545 183 H HN 0.135 8.435 8.280 0.034 0.000 0.284 184 H N 5.481 124.333 119.070 -0.363 0.000 2.746 184 H HA 0.157 4.487 4.556 -0.376 0.000 0.269 184 H C -1.095 174.142 175.328 -0.151 0.000 1.248 184 H CA -0.205 55.641 56.048 -0.337 0.000 1.258 184 H CB -1.168 28.403 29.762 -0.318 0.000 1.441 184 H HN 0.064 8.318 8.280 -0.043 0.000 0.508 185 H N 4.871 123.877 119.070 -0.107 0.000 4.439 185 H HA 0.158 4.773 4.556 0.098 0.000 0.333 185 H C -0.552 174.773 175.328 -0.006 0.000 1.354 185 H CA -0.588 55.446 56.048 -0.023 0.000 0.910 185 H CB 0.531 30.230 29.762 -0.105 0.000 1.131 185 H HN 0.593 8.576 8.280 -0.494 0.000 0.641 186 H N 0.000 119.213 119.070 0.238 0.000 2.539 186 H HA 0.000 4.576 4.556 0.033 0.000 0.296 186 H CA 0.000 56.090 56.048 0.070 0.000 1.023 186 H CB 0.000 29.763 29.762 0.002 0.000 1.292 186 H HN 0.000 8.283 8.280 0.005 0.000 0.496