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 1ls8_1_A DATA FIRST_RESID 1 DATA SEQUENCE SQEVMKNLSL NFGKALDEcK KEMTLTDAIN EDFYNFWKEG YEIKNRETGc DATA SEQUENCE AIMcLSTKLN MLDPEGNLHH GNAMEFAKKH GADETMAQQL IDIVHGcEKS DATA SEQUENCE TPANDDKcIW TLGVATcFKA EIHKLNWAPS MDVAVGEILA EV 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 S HA 0.000 4.362 4.470 -0.180 0.000 0.327 1 S C 0.000 174.463 174.600 -0.229 0.000 1.055 1 S CA 0.000 58.045 58.200 -0.258 0.000 1.107 1 S CB 0.000 63.092 63.200 -0.180 0.000 0.593 2 Q N -0.542 119.111 119.800 -0.247 0.000 2.171 2 Q HA -0.589 3.691 4.340 -0.099 0.000 0.177 2 Q C 0.445 176.400 176.000 -0.075 0.000 2.915 2 Q CA 2.865 58.589 55.803 -0.131 0.000 0.195 2 Q CB -1.114 27.561 28.738 -0.105 0.000 0.201 2 Q HN -0.001 8.075 8.270 -0.322 0.000 0.378 3 E N -0.640 119.515 120.200 -0.076 0.000 2.015 3 E HA -0.300 4.016 4.350 -0.057 0.000 0.191 3 E C 1.663 178.207 176.600 -0.092 0.000 0.991 3 E CA 2.757 59.116 56.400 -0.069 0.000 0.802 3 E CB -0.194 29.469 29.700 -0.061 0.000 0.759 3 E HN -0.244 7.990 8.360 -0.089 0.073 0.447 4 V N 0.049 119.914 119.914 -0.082 0.000 2.317 4 V HA -0.477 3.545 4.120 -0.163 0.000 0.251 4 V C 1.750 177.808 176.094 -0.060 0.000 1.065 4 V CA 4.505 66.760 62.300 -0.074 0.000 1.049 4 V CB -0.584 31.244 31.823 0.010 0.000 0.651 4 V HN 0.031 8.182 8.190 -0.065 0.000 0.450 5 M N -2.088 117.488 119.600 -0.041 0.000 2.086 5 M HA -0.337 4.163 4.480 0.032 0.000 0.261 5 M C 1.742 178.006 176.300 -0.060 0.000 1.067 5 M CA 2.413 57.706 55.300 -0.012 0.000 1.116 5 M CB -1.140 31.463 32.600 0.006 0.000 1.348 5 M HN -0.231 7.908 8.290 -0.058 0.117 0.407 6 K N -0.884 119.477 120.400 -0.064 0.000 2.032 6 K HA -0.284 4.114 4.320 -0.094 -0.134 0.209 6 K C 2.590 179.128 176.600 -0.102 0.000 1.048 6 K CA 2.311 58.552 56.287 -0.077 0.000 0.927 6 K CB -0.316 32.161 32.500 -0.038 0.000 0.712 6 K HN -0.460 7.757 8.250 -0.054 0.000 0.441 7 N N -0.435 118.189 118.700 -0.126 0.000 2.142 7 N HA -0.212 4.440 4.740 -0.147 0.000 0.186 7 N C 1.716 177.129 175.510 -0.162 0.000 1.023 7 N CA 2.438 55.378 53.050 -0.184 0.000 0.852 7 N CB -0.089 38.193 38.487 -0.341 0.000 0.998 7 N HN -0.033 8.089 8.380 -0.121 0.185 0.424 8 L N -3.598 117.553 121.223 -0.120 0.000 2.551 8 L HA -0.232 4.021 4.340 -0.146 0.000 0.230 8 L C 1.310 178.199 176.870 0.030 0.000 1.163 8 L CA 1.854 56.650 54.840 -0.072 0.000 0.826 8 L CB -0.378 41.713 42.059 0.053 0.000 0.943 8 L HN 0.187 8.241 8.230 -0.114 0.108 0.452 9 S N 0.576 116.287 115.700 0.018 0.000 3.593 9 S HA -0.128 4.541 4.470 0.333 0.000 0.224 9 S C 0.080 174.760 174.600 0.133 0.000 1.333 9 S CA 0.896 59.166 58.200 0.116 0.000 1.164 9 S CB -1.322 61.856 63.200 -0.037 0.000 1.281 9 S HN -0.402 7.682 8.310 -0.059 0.192 0.457 10 L N 0.740 122.019 121.223 0.093 0.000 1.988 10 L HA -0.206 4.150 4.340 0.028 0.000 0.207 10 L C 1.038 177.969 176.870 0.102 0.000 1.071 10 L CA 1.960 56.831 54.840 0.051 0.000 0.744 10 L CB -0.630 41.424 42.059 -0.009 0.000 0.893 10 L HN -0.252 7.924 8.230 0.061 0.091 0.433 11 N N -4.150 114.650 118.700 0.166 0.000 2.250 11 N HA 0.084 4.885 4.740 0.102 0.000 0.190 11 N C 1.580 177.220 175.510 0.216 0.000 1.116 11 N CA 0.669 53.814 53.050 0.159 0.000 0.881 11 N CB 1.165 39.735 38.487 0.139 0.000 1.006 11 N HN -0.086 8.400 8.380 0.177 0.000 0.491 12 F N 0.802 120.848 119.950 0.161 0.000 2.192 12 F HA -0.315 4.317 4.527 0.175 0.000 0.301 12 F C -0.238 175.591 175.800 0.048 0.000 1.079 12 F CA 3.012 61.109 58.000 0.162 0.000 1.303 12 F CB 0.259 39.401 39.000 0.238 0.000 1.024 12 F HN -0.019 8.524 8.300 0.494 0.053 0.494 13 G N -6.365 102.571 108.800 0.227 0.000 3.342 13 G HA2 0.095 3.954 3.960 -0.168 0.000 0.252 13 G HA3 0.095 4.092 3.960 0.062 0.000 0.252 13 G C 0.017 174.905 174.900 -0.020 0.000 1.011 13 G CA -0.821 44.288 45.100 0.014 0.000 0.869 13 G HN -0.077 8.368 8.290 0.288 0.019 0.514 14 K N 2.208 122.626 120.400 0.031 0.000 2.020 14 K HA -0.357 3.962 4.320 -0.002 0.000 0.212 14 K C 1.332 177.919 176.600 -0.021 0.000 1.050 14 K CA 3.050 59.342 56.287 0.009 0.000 0.929 14 K CB -0.040 32.482 32.500 0.036 0.000 0.714 14 K HN -0.171 8.046 8.250 0.089 0.087 0.443 15 A N -2.375 120.431 122.820 -0.023 0.000 2.235 15 A HA -0.033 4.270 4.320 -0.030 0.000 0.208 15 A C 0.980 178.511 177.584 -0.089 0.000 1.172 15 A CA 1.508 53.519 52.037 -0.043 0.000 0.786 15 A CB -0.681 18.302 19.000 -0.027 0.000 0.804 15 A HN 0.023 8.175 8.150 0.005 0.000 0.479 16 L N -1.208 119.929 121.223 -0.143 0.000 2.043 16 L HA -0.378 3.830 4.340 -0.220 0.000 0.212 16 L C 1.442 178.243 176.870 -0.115 0.000 1.075 16 L CA 3.302 58.023 54.840 -0.198 0.000 0.752 16 L CB -0.889 40.984 42.059 -0.311 0.000 0.891 16 L HN -0.677 7.267 8.230 -0.131 0.207 0.432 17 D N -3.390 116.960 120.400 -0.083 0.000 2.264 17 D HA -0.208 4.402 4.640 -0.051 0.000 0.208 17 D C 2.387 178.665 176.300 -0.037 0.000 0.966 17 D CA 3.428 57.397 54.000 -0.052 0.000 0.864 17 D CB -0.275 40.501 40.800 -0.040 0.000 0.933 17 D HN -0.480 7.836 8.370 -0.083 0.004 0.499 18 E N 1.261 121.438 120.200 -0.037 0.000 2.028 18 E HA -0.223 4.116 4.350 -0.019 0.000 0.190 18 E C 2.232 178.817 176.600 -0.025 0.000 0.984 18 E CA 2.922 59.306 56.400 -0.025 0.000 0.800 18 E CB 0.045 29.732 29.700 -0.021 0.000 0.758 18 E HN -0.606 7.577 8.360 -0.045 0.149 0.448 19 c N -0.280 118.300 118.600 -0.034 0.000 2.413 19 c HA -0.230 4.331 4.570 -0.016 0.000 0.277 19 c C 2.495 176.575 174.090 -0.017 0.000 1.265 19 c CA 3.907 60.221 56.329 -0.025 0.000 1.752 19 c CB -1.778 40.712 42.510 -0.033 0.000 1.998 19 c HN -0.302 7.900 8.230 -0.047 0.000 0.489 20 K N -0.704 119.680 120.400 -0.026 0.000 2.057 20 K HA -0.383 3.933 4.320 -0.006 0.000 0.206 20 K C 2.184 178.778 176.600 -0.010 0.000 1.050 20 K CA 3.472 59.749 56.287 -0.016 0.000 0.935 20 K CB -0.413 32.073 32.500 -0.024 0.000 0.715 20 K HN 0.354 8.460 8.250 -0.041 0.120 0.439 21 K N 0.952 121.345 120.400 -0.013 0.000 1.978 21 K HA -0.315 4.002 4.320 -0.006 0.000 0.214 21 K C 2.608 179.205 176.600 -0.005 0.000 1.049 21 K CA 2.753 59.035 56.287 -0.008 0.000 0.939 21 K CB -0.595 31.900 32.500 -0.009 0.000 0.721 21 K HN -0.103 7.957 8.250 -0.018 0.179 0.441 22 E N -1.448 118.748 120.200 -0.006 0.000 2.153 22 E HA -0.227 4.121 4.350 -0.003 0.000 0.194 22 E C 1.930 178.530 176.600 -0.001 0.000 0.988 22 E CA 2.580 58.978 56.400 -0.004 0.000 0.811 22 E CB 0.201 29.898 29.700 -0.005 0.000 0.746 22 E HN 0.239 8.482 8.360 -0.009 0.111 0.466 23 M N -5.405 114.196 119.600 0.001 0.000 2.346 23 M HA 0.161 4.644 4.480 0.005 0.000 0.280 23 M C -1.265 175.039 176.300 0.007 0.000 1.075 23 M CA -0.408 54.896 55.300 0.005 0.000 0.989 23 M CB 1.044 33.650 32.600 0.010 0.000 1.447 23 M HN -0.316 7.958 8.290 -0.001 0.016 0.511 24 T N -0.272 114.284 114.554 0.004 0.000 3.549 24 T HA -0.504 3.966 4.350 0.003 -0.119 0.398 24 T C -0.418 174.287 174.700 0.009 0.000 0.766 24 T CA 0.830 62.933 62.100 0.005 0.000 2.007 24 T CB -1.944 66.926 68.868 0.004 0.000 1.727 24 T HN -0.377 7.674 8.240 0.002 0.190 0.693 25 L N -0.720 120.509 121.223 0.010 0.000 2.479 25 L HA 0.091 4.443 4.340 0.020 0.000 0.249 25 L C 0.224 177.104 176.870 0.016 0.000 1.178 25 L CA -0.196 54.654 54.840 0.017 0.000 0.811 25 L CB 1.105 43.178 42.059 0.023 0.000 1.187 25 L HN -0.396 7.726 8.230 0.006 0.111 0.480 26 T N -5.489 109.079 114.554 0.023 0.000 2.910 26 T HA 0.173 4.533 4.350 0.017 0.000 0.279 26 T C -0.302 174.414 174.700 0.027 0.000 0.989 26 T CA -1.564 60.550 62.100 0.023 0.000 0.968 26 T CB 1.716 70.598 68.868 0.025 0.000 1.135 26 T HN -0.145 8.113 8.240 0.030 0.000 0.562 27 D N -0.484 119.932 120.400 0.027 0.000 2.395 27 D HA 0.092 4.743 4.640 0.018 0.000 0.213 27 D C 0.925 177.251 176.300 0.043 0.000 1.110 27 D CA 0.668 54.683 54.000 0.025 0.000 0.835 27 D CB 0.052 40.862 40.800 0.016 0.000 0.965 27 D HN 0.386 8.771 8.370 0.025 0.000 0.505 28 A N -0.685 122.168 122.820 0.055 0.000 2.132 28 A HA 0.069 4.433 4.320 0.074 0.000 0.213 28 A C 1.353 178.998 177.584 0.102 0.000 1.154 28 A CA 1.391 53.470 52.037 0.071 0.000 0.753 28 A CB -0.301 18.733 19.000 0.057 0.000 0.826 28 A HN 0.158 8.266 8.150 0.050 0.071 0.469 29 I N -5.614 115.026 120.570 0.118 0.000 2.567 29 I HA -0.407 3.893 4.170 0.215 0.000 0.257 29 I C 0.529 176.801 176.117 0.259 0.000 1.184 29 I CA 2.009 63.437 61.300 0.213 0.000 1.451 29 I CB -0.769 37.374 38.000 0.237 0.000 1.089 29 I HN -0.404 7.861 8.210 0.091 0.000 0.441 30 N N -0.210 118.572 118.700 0.137 0.000 2.223 30 N HA -0.338 4.448 4.740 0.078 0.000 0.185 30 N C 1.900 177.549 175.510 0.231 0.000 1.016 30 N CA 3.113 56.237 53.050 0.123 0.000 0.863 30 N CB -0.440 38.081 38.487 0.056 0.000 0.983 30 N HN -0.347 7.932 8.380 0.098 0.159 0.429 31 E N -0.587 119.744 120.200 0.218 0.000 2.076 31 E HA -0.246 4.327 4.350 0.370 0.000 0.190 31 E C 1.633 178.364 176.600 0.219 0.000 0.979 31 E CA 2.504 59.051 56.400 0.245 0.000 0.807 31 E CB -0.164 29.628 29.700 0.152 0.000 0.761 31 E HN -0.535 7.790 8.360 0.165 0.133 0.454 32 D N 0.137 120.644 120.400 0.178 0.000 2.123 32 D HA -0.239 4.324 4.640 -0.129 0.000 0.196 32 D C 1.921 178.263 176.300 0.070 0.000 0.992 32 D CA 2.789 56.798 54.000 0.015 0.000 0.833 32 D CB -0.074 40.732 40.800 0.010 0.000 0.954 32 D HN -0.632 7.776 8.370 0.186 0.074 0.455 33 F N -2.879 117.185 119.950 0.191 0.000 2.186 33 F HA -0.290 4.608 4.527 0.618 0.000 0.299 33 F C 0.743 176.813 175.800 0.451 0.000 1.090 33 F CA 2.429 60.668 58.000 0.399 0.000 1.307 33 F CB 0.392 39.587 39.000 0.325 0.000 1.019 33 F HN -0.469 8.258 8.300 0.712 0.000 0.489 34 Y N 1.455 121.984 120.300 0.382 0.000 2.730 34 Y HA -0.165 4.708 4.550 0.254 -0.171 0.357 34 Y C -0.367 175.678 175.900 0.241 0.000 1.167 34 Y CA -0.893 57.359 58.100 0.253 0.000 1.579 34 Y CB -1.619 36.934 38.460 0.155 0.000 1.262 34 Y HN -0.919 7.553 8.280 0.557 0.142 0.510 35 N N 4.116 123.015 118.700 0.331 0.000 2.558 35 N HA -0.468 4.470 4.740 0.330 0.000 0.302 35 N C -1.188 174.475 175.510 0.255 0.000 1.322 35 N CA 0.685 53.870 53.050 0.223 0.000 0.687 35 N CB -1.320 37.210 38.487 0.070 0.000 0.992 35 N HN -0.374 8.283 8.380 0.463 0.000 0.524 36 F N -0.121 119.879 119.950 0.084 0.000 2.115 36 F HA -0.273 4.309 4.527 0.092 0.000 0.300 36 F C 1.073 176.962 175.800 0.149 0.000 1.092 36 F CA 1.833 59.886 58.000 0.088 0.000 1.245 36 F CB 0.282 39.314 39.000 0.054 0.000 0.995 36 F HN 0.286 9.031 8.300 0.742 0.000 0.481 37 W N -3.169 118.155 121.300 0.040 0.000 2.375 37 W HA -0.500 4.092 4.660 -0.113 0.000 0.271 37 W C -0.800 175.631 176.519 -0.146 0.000 0.818 37 W CA 1.165 58.458 57.345 -0.086 0.000 0.844 37 W CB -0.596 28.812 29.460 -0.085 0.000 1.050 37 W HN -0.166 8.207 8.180 0.324 0.001 0.479 38 K N -3.476 116.613 120.400 -0.518 0.000 1.394 38 K HA -0.308 3.514 4.320 -0.830 0.000 0.710 38 K C -1.261 175.111 176.600 -0.380 0.000 1.860 38 K CA 1.329 57.294 56.287 -0.535 0.000 1.178 38 K CB -1.416 30.908 32.500 -0.293 0.000 2.111 38 K HN 0.029 7.598 8.250 -1.136 0.000 0.526 39 E N -0.115 119.949 120.200 -0.225 0.000 2.406 39 E HA 0.010 4.349 4.350 -0.018 0.000 0.204 39 E C -0.089 176.499 176.600 -0.021 0.000 0.820 39 E CA 0.378 56.731 56.400 -0.079 0.000 1.136 39 E CB 1.116 30.780 29.700 -0.060 0.000 1.129 39 E HN 0.208 8.438 8.360 -0.216 0.000 0.530 40 G N 0.321 109.117 108.800 -0.006 0.000 3.743 40 G HA2 0.135 4.119 3.960 0.041 0.000 0.289 40 G HA3 0.135 4.111 3.960 0.027 0.000 0.289 40 G C -1.957 173.007 174.900 0.105 0.000 2.097 40 G CA 0.251 45.375 45.100 0.039 0.000 0.624 40 G HN -0.364 7.910 8.290 -0.027 0.000 0.402 41 Y N 1.878 122.143 120.300 -0.059 0.000 2.327 41 Y HA 0.093 4.609 4.550 -0.057 0.000 0.325 41 Y C -1.302 174.572 175.900 -0.043 0.000 0.999 41 Y CA -0.681 57.382 58.100 -0.062 0.000 1.195 41 Y CB 1.640 40.044 38.460 -0.094 0.000 1.132 41 Y HN -0.280 8.098 8.280 0.164 0.000 0.455 42 E N 8.792 128.885 120.200 -0.178 0.000 2.029 42 E HA 0.061 4.359 4.350 -0.087 0.000 0.276 42 E C -0.684 175.656 176.600 -0.434 0.000 1.163 42 E CA -0.576 55.703 56.400 -0.202 0.000 0.909 42 E CB 0.116 29.729 29.700 -0.144 0.000 1.046 42 E HN 0.220 8.464 8.360 -0.195 0.000 0.406 43 I N 6.290 126.660 120.570 -0.333 0.000 2.919 43 I HA -0.322 3.527 4.170 -0.536 0.000 0.303 43 I C 1.265 177.220 176.117 -0.271 0.000 1.221 43 I CA 0.677 61.783 61.300 -0.323 0.000 1.444 43 I CB 0.738 38.637 38.000 -0.167 0.000 1.331 43 I HN 0.250 8.347 8.210 -0.189 0.000 0.572 44 K N 6.032 126.284 120.400 -0.245 0.000 2.209 44 K HA -0.323 3.890 4.320 -0.178 0.000 0.204 44 K C 0.874 177.422 176.600 -0.087 0.000 1.048 44 K CA 1.920 58.114 56.287 -0.156 0.000 0.940 44 K CB -0.012 32.424 32.500 -0.107 0.000 0.729 44 K HN 0.242 8.327 8.250 -0.275 0.000 0.451 45 N N -1.311 117.349 118.700 -0.067 0.000 2.407 45 N HA -0.147 4.583 4.740 -0.017 0.000 0.250 45 N C 0.305 175.794 175.510 -0.034 0.000 1.236 45 N CA 1.352 54.381 53.050 -0.034 0.000 0.879 45 N CB -0.016 38.458 38.487 -0.021 0.000 1.088 45 N HN -0.022 8.277 8.380 -0.077 0.035 0.450 46 R N 1.063 121.558 120.500 -0.008 0.000 2.383 46 R HA 0.069 4.404 4.340 -0.008 0.000 0.205 46 R C 0.446 176.760 176.300 0.024 0.000 0.875 46 R CA 1.129 57.230 56.100 0.001 0.000 1.039 46 R CB 0.742 31.043 30.300 0.002 0.000 1.267 46 R HN 0.365 8.637 8.270 0.002 0.000 0.635 47 E N -1.107 119.114 120.200 0.035 0.000 2.333 47 E HA -0.218 4.161 4.350 0.049 0.000 0.198 47 E C 1.585 178.238 176.600 0.088 0.000 1.007 47 E CA 2.892 59.325 56.400 0.054 0.000 0.845 47 E CB -1.242 28.488 29.700 0.050 0.000 0.766 47 E HN 0.208 8.584 8.360 0.027 0.000 0.507 48 T N 1.231 115.839 114.554 0.090 0.000 2.652 48 T HA -0.437 4.087 4.350 0.289 0.000 0.267 48 T C 1.715 176.479 174.700 0.107 0.000 1.039 48 T CA 4.897 67.081 62.100 0.140 0.000 1.153 48 T CB -0.590 68.295 68.868 0.028 0.000 0.863 48 T HN 0.118 8.353 8.240 0.056 0.039 0.428 49 G N 0.430 109.258 108.800 0.047 0.000 2.485 49 G HA2 -0.298 3.678 3.960 0.026 0.000 0.221 49 G HA3 -0.298 3.886 3.960 0.049 -0.195 0.221 49 G C 1.141 176.088 174.900 0.079 0.000 1.115 49 G CA 2.208 47.339 45.100 0.050 0.000 0.751 49 G HN -0.003 8.303 8.290 0.027 0.000 0.567 50 c N 1.838 120.487 118.600 0.081 0.000 2.453 50 c HA -0.182 4.426 4.570 0.064 0.000 0.277 50 c C 2.197 176.336 174.090 0.082 0.000 1.262 50 c CA 1.772 58.144 56.329 0.072 0.000 1.718 50 c CB -1.995 40.550 42.510 0.058 0.000 2.031 50 c HN -0.800 7.332 8.230 0.079 0.145 0.480 51 A N 0.981 123.875 122.820 0.123 0.000 1.883 51 A HA -0.355 4.004 4.320 0.066 0.000 0.217 51 A C 1.900 179.587 177.584 0.171 0.000 1.186 51 A CA 3.309 55.430 52.037 0.140 0.000 0.624 51 A CB -0.766 18.355 19.000 0.202 0.000 0.822 51 A HN -0.261 7.974 8.150 0.141 0.000 0.444 52 I N -1.040 119.680 120.570 0.250 0.000 2.091 52 I HA -0.677 3.614 4.170 0.200 0.000 0.239 52 I C 1.890 178.029 176.117 0.036 0.000 1.061 52 I CA 4.675 66.060 61.300 0.142 0.000 1.317 52 I CB 0.031 38.042 38.000 0.018 0.000 1.031 52 I HN 0.334 8.699 8.210 0.258 0.000 0.401 53 M N -0.081 119.549 119.600 0.050 0.000 2.213 53 M HA -0.440 4.062 4.480 0.035 0.000 0.263 53 M C 1.790 178.100 176.300 0.017 0.000 1.062 53 M CA 3.611 58.937 55.300 0.042 0.000 1.105 53 M CB -0.047 32.599 32.600 0.076 0.000 1.385 53 M HN -0.008 8.215 8.290 0.069 0.109 0.417 54 c N 0.259 118.869 118.600 0.017 0.000 2.413 54 c HA -0.386 4.184 4.570 -0.000 0.000 0.276 54 c C 1.822 175.896 174.090 -0.027 0.000 1.236 54 c CA 4.083 60.411 56.329 -0.002 0.000 1.735 54 c CB -1.717 40.795 42.510 0.002 0.000 2.031 54 c HN 0.059 8.299 8.230 0.035 0.012 0.474 55 L N 0.019 121.210 121.223 -0.054 0.000 1.989 55 L HA -0.500 3.783 4.340 -0.095 0.000 0.211 55 L C 2.716 179.524 176.870 -0.105 0.000 1.071 55 L CA 3.458 58.231 54.840 -0.113 0.000 0.749 55 L CB -0.315 41.608 42.059 -0.226 0.000 0.890 55 L HN 0.155 8.365 8.230 -0.033 0.000 0.431 56 S N -0.804 114.839 115.700 -0.095 0.000 2.383 56 S HA -0.389 4.013 4.470 -0.112 0.000 0.229 56 S C 2.273 176.856 174.600 -0.027 0.000 1.030 56 S CA 3.662 61.818 58.200 -0.073 0.000 1.002 56 S CB -0.350 62.823 63.200 -0.045 0.000 0.829 56 S HN 0.354 8.611 8.310 -0.088 0.000 0.467 57 T N 4.555 119.101 114.554 -0.014 0.000 2.622 57 T HA -0.297 4.057 4.350 0.006 0.000 0.266 57 T C 2.193 176.892 174.700 -0.001 0.000 1.047 57 T CA 4.855 66.954 62.100 -0.002 0.000 1.159 57 T CB -0.140 68.727 68.868 -0.002 0.000 0.863 57 T HN 0.166 8.285 8.240 -0.016 0.111 0.422 58 K N 1.790 122.185 120.400 -0.008 0.000 2.097 58 K HA -0.167 4.157 4.320 0.007 0.000 0.206 58 K C 1.634 178.245 176.600 0.019 0.000 1.049 58 K CA 2.378 58.667 56.287 0.003 0.000 0.933 58 K CB -0.131 32.367 32.500 -0.003 0.000 0.717 58 K HN -0.311 7.928 8.250 -0.019 0.000 0.442 59 L N -4.895 116.334 121.223 0.011 0.000 2.599 59 L HA -0.065 4.328 4.340 0.089 0.000 0.230 59 L C -0.959 175.936 176.870 0.041 0.000 1.141 59 L CA -0.101 54.764 54.840 0.041 0.000 0.877 59 L CB -0.112 41.938 42.059 -0.014 0.000 1.009 59 L HN -0.170 8.034 8.230 -0.018 0.015 0.447 60 N N -5.673 113.043 118.700 0.026 0.000 2.708 60 N HA -0.416 4.342 4.740 0.029 0.000 0.251 60 N C -0.339 175.194 175.510 0.038 0.000 1.123 60 N CA 1.334 54.402 53.050 0.030 0.000 0.739 60 N CB -1.626 36.876 38.487 0.025 0.000 1.113 60 N HN -0.253 7.938 8.380 0.017 0.199 0.561 61 M N -3.059 116.556 119.600 0.025 0.000 2.229 61 M HA -0.300 4.208 4.480 0.046 0.000 0.264 61 M C -1.066 175.287 176.300 0.088 0.000 1.063 61 M CA 3.177 58.496 55.300 0.033 0.000 1.114 61 M CB 1.038 33.616 32.600 -0.038 0.000 1.387 61 M HN -0.377 7.881 8.290 0.003 0.033 0.420 62 L N -3.973 117.297 121.223 0.077 0.000 2.352 62 L HA 0.227 4.715 4.340 0.102 -0.087 0.269 62 L C -0.264 176.668 176.870 0.103 0.000 1.034 62 L CA -1.439 53.454 54.840 0.088 0.000 0.806 62 L CB 1.436 43.535 42.059 0.066 0.000 1.244 62 L HN -0.928 7.297 8.230 0.052 0.037 0.447 63 D N 0.464 120.908 120.400 0.072 0.000 2.363 63 D HA 0.091 4.801 4.640 0.116 0.000 0.240 63 D C -0.509 175.802 176.300 0.019 0.000 1.236 63 D CA -1.085 52.942 54.000 0.044 0.000 0.927 63 D CB -0.226 40.543 40.800 -0.051 0.000 1.150 63 D HN 0.172 8.567 8.370 0.041 0.000 0.458 64 P HA -0.054 4.363 4.420 -0.005 0.000 0.245 64 P C -0.482 176.795 177.300 -0.038 0.000 1.212 64 P CA 0.791 63.885 63.100 -0.010 0.000 0.774 64 P CB 0.314 32.013 31.700 -0.003 0.000 0.999 65 E N -1.203 118.966 120.200 -0.052 0.000 2.060 65 E HA -0.054 4.240 4.350 -0.094 0.000 0.189 65 E C 0.690 177.209 176.600 -0.135 0.000 0.974 65 E CA 1.115 57.462 56.400 -0.089 0.000 0.808 65 E CB 0.481 30.133 29.700 -0.079 0.000 0.768 65 E HN 0.325 8.566 8.360 -0.039 0.095 0.453 66 G N -4.724 104.022 108.800 -0.090 0.000 2.425 66 G HA2 -0.227 3.723 3.960 -0.017 0.000 0.177 66 G HA3 -0.227 3.589 3.960 -0.240 0.000 0.177 66 G C -1.786 173.160 174.900 0.078 0.000 0.999 66 G CA -0.527 44.525 45.100 -0.081 0.000 0.723 66 G HN -0.578 7.685 8.290 -0.046 0.000 0.491 67 N N -0.458 118.288 118.700 0.076 0.000 2.395 67 N HA -0.156 4.927 4.740 0.306 -0.160 0.246 67 N C -0.130 175.436 175.510 0.094 0.000 1.246 67 N CA 0.135 53.273 53.050 0.147 0.000 0.879 67 N CB 0.538 39.053 38.487 0.048 0.000 1.098 67 N HN -0.350 8.027 8.380 -0.005 0.000 0.444 68 L N 0.950 122.240 121.223 0.111 0.000 2.436 68 L HA -0.098 4.306 4.340 0.106 0.000 0.265 68 L C -0.682 176.191 176.870 0.004 0.000 1.168 68 L CA 0.555 55.454 54.840 0.098 0.000 0.815 68 L CB 1.537 43.684 42.059 0.147 0.000 1.109 68 L HN 0.253 8.567 8.230 0.141 0.000 0.462 69 H N 4.434 123.506 119.070 0.005 0.000 2.641 69 H HA 0.368 4.879 4.556 -0.155 -0.049 0.295 69 H C 0.182 175.546 175.328 0.060 0.000 1.070 69 H CA -1.691 54.334 56.048 -0.039 0.000 1.257 69 H CB 0.299 30.056 29.762 -0.007 0.000 1.393 69 H HN 0.359 8.750 8.280 0.185 0.000 0.464 70 H N 8.553 127.766 119.070 0.239 0.000 2.252 70 H HA -0.530 4.104 4.556 0.131 0.000 0.292 70 H C 1.991 177.435 175.328 0.193 0.000 1.082 70 H CA 3.434 59.586 56.048 0.173 0.000 1.229 70 H CB 0.127 29.945 29.762 0.093 0.000 1.353 70 H HN 0.160 8.253 8.280 -0.311 0.000 0.488 71 G N -2.636 106.381 108.800 0.362 0.000 2.408 71 G HA2 -0.349 3.705 3.960 0.156 0.000 0.217 71 G HA3 -0.349 3.691 3.960 0.133 0.000 0.217 71 G C 1.067 176.009 174.900 0.069 0.000 1.150 71 G CA 1.511 46.713 45.100 0.171 0.000 0.776 71 G HN 0.294 8.865 8.290 0.470 0.000 0.542 72 N N 2.180 120.855 118.700 -0.042 0.000 2.142 72 N HA -0.286 4.414 4.740 -0.066 0.000 0.186 72 N C 1.942 177.499 175.510 0.079 0.000 1.023 72 N CA 2.859 55.869 53.050 -0.067 0.000 0.852 72 N CB -0.065 38.294 38.487 -0.213 0.000 0.998 72 N HN -0.807 7.507 8.380 -0.110 0.000 0.424 73 A N 0.365 123.264 122.820 0.131 0.000 1.902 73 A HA -0.362 4.023 4.320 0.108 0.000 0.217 73 A C 1.617 179.311 177.584 0.184 0.000 1.181 73 A CA 3.040 55.163 52.037 0.144 0.000 0.623 73 A CB -0.414 18.677 19.000 0.152 0.000 0.818 73 A HN 0.093 8.345 8.150 0.170 0.000 0.443 74 M N -0.350 119.351 119.600 0.168 0.000 2.144 74 M HA -0.554 4.020 4.480 0.156 0.000 0.260 74 M C 1.671 178.061 176.300 0.150 0.000 1.067 74 M CA 4.043 59.433 55.300 0.151 0.000 1.095 74 M CB 0.052 32.726 32.600 0.124 0.000 1.365 74 M HN 0.113 8.505 8.290 0.171 0.000 0.406 75 E N -1.757 118.526 120.200 0.138 0.000 2.153 75 E HA -0.374 4.028 4.350 0.088 0.000 0.194 75 E C 2.447 179.152 176.600 0.175 0.000 0.988 75 E CA 2.759 59.232 56.400 0.121 0.000 0.811 75 E CB -0.335 29.418 29.700 0.088 0.000 0.746 75 E HN -0.218 8.214 8.360 0.119 0.000 0.466 76 F N 0.138 120.128 119.950 0.066 0.000 2.113 76 F HA -0.317 4.254 4.527 0.075 0.000 0.297 76 F C 1.456 177.305 175.800 0.081 0.000 1.103 76 F CA 3.063 61.112 58.000 0.082 0.000 1.248 76 F CB 0.289 39.354 39.000 0.109 0.000 0.999 76 F HN -0.405 7.955 8.300 0.346 0.148 0.475 77 A N -0.893 122.132 122.820 0.342 0.000 1.933 77 A HA -0.372 4.098 4.320 0.249 0.000 0.218 77 A C 1.151 178.805 177.584 0.117 0.000 1.175 77 A CA 3.047 55.216 52.037 0.220 0.000 0.628 77 A CB -0.675 18.436 19.000 0.185 0.000 0.814 77 A HN -0.407 7.871 8.150 0.338 0.075 0.444 78 K N -3.474 116.981 120.400 0.092 0.000 2.362 78 K HA -0.251 4.093 4.320 0.040 0.000 0.200 78 K C 2.359 178.968 176.600 0.015 0.000 1.046 78 K CA 2.248 58.562 56.287 0.046 0.000 0.952 78 K CB -0.662 31.861 32.500 0.039 0.000 0.753 78 K HN 0.245 8.565 8.250 0.118 0.000 0.466 79 K N 0.009 120.410 120.400 0.001 0.000 2.044 79 K HA -0.276 4.017 4.320 -0.045 0.000 0.210 79 K C 1.664 178.250 176.600 -0.022 0.000 1.049 79 K CA 2.718 58.981 56.287 -0.041 0.000 0.927 79 K CB -0.118 32.303 32.500 -0.131 0.000 0.713 79 K HN -0.528 7.588 8.250 0.016 0.144 0.443 80 H N -4.543 114.488 119.070 -0.065 0.000 2.575 80 H HA 0.164 4.687 4.556 -0.054 0.000 0.267 80 H C -0.679 174.627 175.328 -0.036 0.000 0.966 80 H CA -0.403 55.613 56.048 -0.052 0.000 1.165 80 H CB 0.720 30.450 29.762 -0.054 0.000 1.433 80 H HN -0.453 7.884 8.280 0.096 0.000 0.544 81 G N -0.890 107.902 108.800 -0.012 0.000 2.643 81 G HA2 -0.410 3.541 3.960 -0.015 0.000 0.280 81 G HA3 -0.410 3.517 3.960 -0.055 0.000 0.280 81 G C -0.903 174.010 174.900 0.023 0.000 1.120 81 G CA -0.227 44.862 45.100 -0.017 0.000 1.165 81 G HN -0.608 7.505 8.290 0.012 0.185 0.540 82 A N 1.088 123.930 122.820 0.036 0.000 2.387 82 A HA -0.166 4.160 4.320 0.009 0.000 0.251 82 A C -0.454 177.122 177.584 -0.012 0.000 1.113 82 A CA 0.177 52.224 52.037 0.016 0.000 0.794 82 A CB 0.673 19.694 19.000 0.034 0.000 1.069 82 A HN -0.505 7.672 8.150 0.044 0.000 0.506 83 D N -0.468 119.903 120.400 -0.047 0.000 2.345 83 D HA 0.127 4.743 4.640 -0.040 0.000 0.247 83 D C 1.076 177.362 176.300 -0.023 0.000 1.108 83 D CA -0.454 53.514 54.000 -0.054 0.000 0.894 83 D CB 1.400 42.132 40.800 -0.113 0.000 1.203 83 D HN -0.273 8.054 8.370 -0.072 0.000 0.430 84 E N 4.501 124.697 120.200 -0.007 0.000 2.031 84 E HA -0.293 4.070 4.350 0.021 0.000 0.193 84 E C 1.823 178.437 176.600 0.023 0.000 0.994 84 E CA 3.925 60.333 56.400 0.013 0.000 0.800 84 E CB 0.182 29.889 29.700 0.012 0.000 0.752 84 E HN 0.410 8.763 8.360 -0.012 0.000 0.447 85 T N 0.891 115.458 114.554 0.022 0.000 2.746 85 T HA -0.369 4.016 4.350 0.059 0.000 0.267 85 T C 1.559 176.308 174.700 0.081 0.000 1.039 85 T CA 4.251 66.383 62.100 0.054 0.000 1.142 85 T CB -0.423 68.481 68.868 0.059 0.000 0.866 85 T HN -0.237 8.008 8.240 0.008 0.000 0.444 86 M N 1.468 121.066 119.600 -0.004 0.000 2.117 86 M HA -0.305 4.231 4.480 0.093 0.000 0.262 86 M C 1.170 177.508 176.300 0.063 0.000 1.065 86 M CA 3.639 58.905 55.300 -0.057 0.000 1.114 86 M CB -0.168 32.214 32.600 -0.363 0.000 1.361 86 M HN -0.239 8.017 8.290 -0.056 0.000 0.408 87 A N -2.397 120.452 122.820 0.048 0.000 1.902 87 A HA -0.363 4.025 4.320 0.113 0.000 0.217 87 A C 1.828 179.474 177.584 0.103 0.000 1.181 87 A CA 3.095 55.186 52.037 0.090 0.000 0.623 87 A CB -0.977 18.070 19.000 0.078 0.000 0.818 87 A HN 0.106 8.267 8.150 0.018 0.000 0.443 88 Q N -1.688 118.160 119.800 0.079 0.000 2.123 88 Q HA -0.260 4.100 4.340 0.032 0.000 0.199 88 Q C 2.483 178.522 176.000 0.066 0.000 0.966 88 Q CA 2.490 58.324 55.803 0.051 0.000 0.845 88 Q CB -0.468 28.288 28.738 0.031 0.000 0.907 88 Q HN -0.269 7.947 8.270 0.070 0.096 0.439 89 Q N -0.024 119.849 119.800 0.123 0.000 2.050 89 Q HA -0.313 4.073 4.340 0.075 0.000 0.202 89 Q C 2.615 178.683 176.000 0.114 0.000 0.980 89 Q CA 3.229 59.111 55.803 0.131 0.000 0.840 89 Q CB -0.159 28.739 28.738 0.267 0.000 0.898 89 Q HN 0.285 8.645 8.270 0.151 0.000 0.424 90 L N -2.805 118.518 121.223 0.166 0.000 2.353 90 L HA -0.226 4.155 4.340 0.068 0.000 0.220 90 L C 1.871 178.903 176.870 0.270 0.000 1.133 90 L CA 2.260 57.220 54.840 0.199 0.000 0.798 90 L CB -0.633 41.595 42.059 0.282 0.000 0.922 90 L HN -0.134 8.216 8.230 0.200 0.000 0.445 91 I N -2.378 118.295 120.570 0.172 0.000 2.296 91 I HA -0.366 3.925 4.170 0.203 0.000 0.242 91 I C 1.660 177.830 176.117 0.088 0.000 1.087 91 I CA 3.591 64.970 61.300 0.131 0.000 1.393 91 I CB 0.130 38.154 38.000 0.039 0.000 1.093 91 I HN -1.093 7.038 8.210 0.134 0.160 0.421 92 D N 0.422 120.847 120.400 0.041 0.000 2.219 92 D HA -0.190 4.494 4.640 0.073 0.000 0.205 92 D C 2.607 178.983 176.300 0.127 0.000 0.970 92 D CA 2.795 56.843 54.000 0.079 0.000 0.851 92 D CB -0.015 40.819 40.800 0.056 0.000 0.943 92 D HN -0.171 8.150 8.370 0.031 0.068 0.488 93 I N -0.592 120.028 120.570 0.083 0.000 2.264 93 I HA -0.559 3.616 4.170 0.008 0.000 0.248 93 I C 1.419 177.605 176.117 0.114 0.000 1.111 93 I CA 3.985 65.318 61.300 0.055 0.000 1.382 93 I CB -0.123 37.867 38.000 -0.016 0.000 1.060 93 I HN 0.470 8.700 8.210 0.075 0.025 0.418 94 V N 0.434 120.455 119.914 0.179 0.000 2.261 94 V HA -0.578 3.615 4.120 0.121 0.000 0.246 94 V C 1.412 177.602 176.094 0.160 0.000 1.047 94 V CA 4.451 66.849 62.300 0.163 0.000 1.015 94 V CB -1.077 30.862 31.823 0.193 0.000 0.642 94 V HN -0.292 7.876 8.190 0.196 0.139 0.446 95 H N -0.059 119.062 119.070 0.085 0.000 2.460 95 H HA -0.349 4.267 4.556 0.100 0.000 0.297 95 H C 1.378 176.725 175.328 0.031 0.000 1.103 95 H CA 2.691 58.785 56.048 0.077 0.000 1.292 95 H CB 0.086 29.896 29.762 0.080 0.000 1.376 95 H HN -0.575 7.890 8.280 0.308 0.000 0.531 96 G N -2.319 106.480 108.800 -0.000 0.000 2.437 96 G HA2 -0.105 3.750 3.960 -0.174 0.000 0.212 96 G HA3 -0.105 3.817 3.960 -0.062 0.000 0.212 96 G C 0.529 175.388 174.900 -0.069 0.000 1.174 96 G CA 0.821 45.869 45.100 -0.088 0.000 0.811 96 G HN -0.356 7.859 8.290 0.096 0.133 0.537 97 c N 2.710 121.285 118.600 -0.042 0.000 2.429 97 c HA -0.225 4.301 4.570 -0.074 0.000 0.277 97 c C 2.574 176.593 174.090 -0.117 0.000 1.262 97 c CA 2.404 58.690 56.329 -0.072 0.000 1.733 97 c CB -2.041 40.436 42.510 -0.055 0.000 2.010 97 c HN 0.263 8.383 8.230 -0.005 0.107 0.483 98 E N -0.438 119.696 120.200 -0.109 0.000 2.153 98 E HA -0.390 3.802 4.350 -0.263 0.000 0.194 98 E C 0.833 177.399 176.600 -0.056 0.000 0.988 98 E CA 2.874 59.200 56.400 -0.124 0.000 0.811 98 E CB -0.252 29.438 29.700 -0.017 0.000 0.746 98 E HN 0.188 8.515 8.360 -0.056 0.000 0.466 99 K N -4.162 116.204 120.400 -0.056 0.000 2.148 99 K HA -0.196 4.107 4.320 -0.027 0.000 0.204 99 K C 0.739 177.308 176.600 -0.052 0.000 1.050 99 K CA 2.157 58.409 56.287 -0.058 0.000 0.942 99 K CB -0.622 31.807 32.500 -0.118 0.000 0.724 99 K HN -0.082 7.998 8.250 -0.066 0.130 0.446 100 S N -1.940 113.721 115.700 -0.066 0.000 2.404 100 S HA 0.039 4.482 4.470 -0.046 0.000 0.223 100 S C 0.565 175.128 174.600 -0.061 0.000 1.040 100 S CA 1.041 59.206 58.200 -0.058 0.000 0.957 100 S CB 1.294 64.457 63.200 -0.063 0.000 0.826 100 S HN -0.641 7.493 8.310 -0.079 0.129 0.491 101 T N 5.180 119.674 114.554 -0.101 0.000 2.769 101 T HA 0.100 4.388 4.350 -0.104 0.000 0.293 101 T C -0.978 173.681 174.700 -0.069 0.000 0.931 101 T CA -0.276 61.742 62.100 -0.136 0.000 1.139 101 T CB 0.452 69.151 68.868 -0.281 0.000 0.881 101 T HN -0.054 8.004 8.240 -0.120 0.110 0.532 102 P HA -0.100 4.350 4.420 0.050 0.000 0.208 102 P C -0.927 176.469 177.300 0.160 0.000 1.203 102 P CA 1.034 64.169 63.100 0.059 0.000 0.920 102 P CB 0.316 32.042 31.700 0.043 0.000 0.769 103 A N -2.803 120.138 122.820 0.202 0.000 2.567 103 A HA 0.129 4.776 4.320 0.545 0.000 0.291 103 A C -2.142 175.593 177.584 0.252 0.000 1.048 103 A CA -0.450 51.769 52.037 0.303 0.000 0.661 103 A CB 1.359 20.452 19.000 0.155 0.000 1.288 103 A HN -0.329 7.902 8.150 0.135 0.000 0.424 104 N N -0.501 118.347 118.700 0.246 0.000 2.591 104 N HA 0.118 4.919 4.740 0.102 0.000 0.263 104 N C -0.894 174.662 175.510 0.076 0.000 1.308 104 N CA -0.197 52.939 53.050 0.144 0.000 0.837 104 N CB 1.759 40.348 38.487 0.170 0.000 1.548 104 N HN -0.055 8.459 8.380 0.223 0.000 0.493 105 D N -0.889 119.539 120.400 0.047 0.000 2.310 105 D HA -0.143 4.500 4.640 0.004 0.000 0.212 105 D C -0.672 175.637 176.300 0.016 0.000 0.965 105 D CA 1.601 55.612 54.000 0.019 0.000 0.879 105 D CB 0.393 41.203 40.800 0.016 0.000 0.921 105 D HN 0.190 8.590 8.370 0.049 0.000 0.510 106 D N -1.256 119.168 120.400 0.041 0.000 2.542 106 D HA 0.151 4.803 4.640 0.020 0.000 0.252 106 D C -0.113 176.238 176.300 0.086 0.000 1.222 106 D CA -0.605 53.421 54.000 0.043 0.000 0.895 106 D CB 1.712 42.536 40.800 0.042 0.000 1.207 106 D HN -0.279 8.398 8.370 0.067 -0.267 0.558 107 K N 4.366 124.799 120.400 0.055 0.000 2.281 107 K HA -0.298 4.120 4.320 0.164 0.000 0.203 107 K C 1.358 178.067 176.600 0.183 0.000 1.046 107 K CA 3.254 59.600 56.287 0.098 0.000 0.938 107 K CB -0.129 32.351 32.500 -0.033 0.000 0.737 107 K HN 0.543 8.799 8.250 0.010 0.000 0.458 108 c N -1.088 117.582 118.600 0.117 0.000 2.453 108 c HA -0.152 4.486 4.570 0.114 0.000 0.277 108 c C 2.192 176.351 174.090 0.114 0.000 1.262 108 c CA 3.889 60.282 56.329 0.106 0.000 1.718 108 c CB -1.658 40.892 42.510 0.068 0.000 2.031 108 c HN 0.607 9.216 8.230 0.085 -0.328 0.480 109 I N 0.326 120.962 120.570 0.109 0.000 2.315 109 I HA -0.345 3.856 4.170 0.051 0.000 0.248 109 I C 1.278 177.474 176.117 0.131 0.000 1.117 109 I CA 2.683 64.036 61.300 0.089 0.000 1.404 109 I CB -0.536 37.504 38.000 0.067 0.000 1.071 109 I HN -0.731 7.644 8.210 0.104 -0.103 0.419 110 W N -0.256 121.042 121.300 -0.004 0.000 2.333 110 W HA -0.477 4.183 4.660 -0.001 0.000 0.316 110 W C 1.642 178.161 176.519 0.001 0.000 1.215 110 W CA 4.318 61.662 57.345 -0.001 0.000 1.278 110 W CB 0.033 29.492 29.460 -0.001 0.000 1.154 110 W HN 0.205 8.505 8.180 0.319 0.071 0.486 111 T N 1.100 115.808 114.554 0.257 0.000 2.652 111 T HA -0.457 3.851 4.350 -0.071 0.000 0.267 111 T C 2.044 176.709 174.700 -0.058 0.000 1.039 111 T CA 5.428 67.570 62.100 0.071 0.000 1.153 111 T CB -0.150 68.824 68.868 0.178 0.000 0.863 111 T HN -0.047 8.337 8.240 0.420 0.109 0.428 112 L N 0.597 121.814 121.223 -0.009 0.000 2.081 112 L HA -0.412 3.925 4.340 -0.005 0.000 0.212 112 L C 2.025 178.871 176.870 -0.039 0.000 1.080 112 L CA 3.423 58.254 54.840 -0.016 0.000 0.754 112 L CB -0.377 41.679 42.059 -0.006 0.000 0.893 112 L HN 0.473 8.621 8.230 0.042 0.107 0.433 113 G N -1.458 107.290 108.800 -0.086 0.000 2.480 113 G HA2 -0.406 3.668 3.960 -0.064 0.000 0.216 113 G HA3 -0.406 3.469 3.960 -0.142 0.000 0.216 113 G C 1.111 175.944 174.900 -0.112 0.000 1.200 113 G CA 2.607 47.644 45.100 -0.104 0.000 0.782 113 G HN -0.515 7.720 8.290 -0.093 0.000 0.554 114 V N 3.825 123.617 119.914 -0.203 0.000 2.332 114 V HA -0.505 3.530 4.120 -0.143 0.000 0.248 114 V C 2.111 178.167 176.094 -0.062 0.000 1.055 114 V CA 3.322 65.515 62.300 -0.179 0.000 1.038 114 V CB -0.220 31.397 31.823 -0.344 0.000 0.651 114 V HN -0.771 7.236 8.190 -0.304 0.000 0.450 115 A N -1.493 121.291 122.820 -0.061 0.000 1.930 115 A HA -0.258 3.993 4.320 -0.115 0.000 0.217 115 A C 1.937 179.550 177.584 0.050 0.000 1.175 115 A CA 3.480 55.493 52.037 -0.040 0.000 0.627 115 A CB -0.689 18.295 19.000 -0.027 0.000 0.815 115 A HN 0.611 8.507 8.150 -0.090 0.200 0.443 116 T N 0.991 115.622 114.554 0.128 0.000 2.894 116 T HA -0.269 4.338 4.350 0.427 0.000 0.258 116 T C 1.083 175.846 174.700 0.105 0.000 1.043 116 T CA 5.390 67.632 62.100 0.236 0.000 1.141 116 T CB 0.081 69.075 68.868 0.211 0.000 0.873 116 T HN -0.241 8.011 8.240 0.064 0.026 0.449 117 c N 2.781 121.413 118.600 0.053 0.000 2.411 117 c HA -0.323 4.254 4.570 0.011 0.000 0.279 117 c C 1.376 175.492 174.090 0.043 0.000 1.288 117 c CA 3.300 59.643 56.329 0.024 0.000 1.764 117 c CB -2.187 40.315 42.510 -0.012 0.000 1.974 117 c HN 0.067 8.315 8.230 0.030 0.000 0.498 118 F N 1.447 121.338 119.950 -0.098 0.000 2.046 118 F HA -0.497 3.988 4.527 -0.070 0.000 0.297 118 F C 1.389 177.108 175.800 -0.135 0.000 1.123 118 F CA 4.447 62.384 58.000 -0.104 0.000 1.199 118 F CB 0.155 39.089 39.000 -0.110 0.000 0.972 118 F HN 0.270 8.670 8.300 0.178 0.007 0.474 119 K N -2.236 118.175 120.400 0.019 0.000 2.209 119 K HA -0.389 3.850 4.320 -0.136 0.000 0.204 119 K C 2.413 178.965 176.600 -0.080 0.000 1.048 119 K CA 2.708 58.897 56.287 -0.162 0.000 0.940 119 K CB -0.463 31.671 32.500 -0.609 0.000 0.729 119 K HN -0.687 7.575 8.250 0.020 0.000 0.451 120 A N 0.619 123.418 122.820 -0.034 0.000 1.855 120 A HA -0.289 4.049 4.320 0.031 0.000 0.215 120 A C 1.851 179.413 177.584 -0.037 0.000 1.191 120 A CA 3.130 55.166 52.037 -0.001 0.000 0.613 120 A CB -0.713 18.291 19.000 0.007 0.000 0.829 120 A HN 0.099 8.118 8.150 -0.017 0.121 0.442 121 E N -0.745 119.384 120.200 -0.118 0.000 2.058 121 E HA -0.337 3.908 4.350 -0.174 0.000 0.194 121 E C 2.537 178.973 176.600 -0.273 0.000 0.997 121 E CA 2.963 59.242 56.400 -0.202 0.000 0.801 121 E CB -0.254 29.306 29.700 -0.233 0.000 0.746 121 E HN -0.124 8.171 8.360 -0.108 0.000 0.450 122 I N -1.995 118.412 120.570 -0.271 0.000 2.315 122 I HA -0.420 3.606 4.170 -0.240 0.000 0.251 122 I C 1.359 177.444 176.117 -0.054 0.000 1.125 122 I CA 2.616 63.810 61.300 -0.176 0.000 1.392 122 I CB -0.939 36.978 38.000 -0.138 0.000 1.065 122 I HN -0.059 7.958 8.210 -0.322 0.000 0.424 123 H N 0.629 119.626 119.070 -0.122 0.000 2.284 123 H HA -0.273 4.276 4.556 -0.012 0.000 0.304 123 H C 2.439 177.703 175.328 -0.106 0.000 1.069 123 H CA 3.899 59.911 56.048 -0.061 0.000 1.327 123 H CB 0.563 30.312 29.762 -0.022 0.000 1.387 123 H HN -0.392 7.722 8.280 0.035 0.187 0.498 124 K N 0.476 120.817 120.400 -0.098 0.000 2.209 124 K HA -0.219 3.980 4.320 -0.201 0.000 0.204 124 K C 1.615 178.052 176.600 -0.271 0.000 1.048 124 K CA 2.340 58.518 56.287 -0.181 0.000 0.940 124 K CB -0.704 31.721 32.500 -0.124 0.000 0.729 124 K HN -0.032 8.209 8.250 -0.013 0.000 0.451 125 L N -2.474 118.504 121.223 -0.410 0.000 2.633 125 L HA -0.216 3.763 4.340 -0.602 0.000 0.235 125 L C -0.521 175.993 176.870 -0.593 0.000 1.163 125 L CA 0.398 54.805 54.840 -0.722 0.000 0.859 125 L CB -0.453 40.779 42.059 -1.379 0.000 0.973 125 L HN 0.092 7.980 8.230 -0.378 0.115 0.451 126 N N -3.162 115.371 118.700 -0.278 0.000 2.735 126 N HA -0.378 4.379 4.740 -0.105 -0.080 0.248 126 N C -0.741 174.884 175.510 0.192 0.000 1.083 126 N CA 1.331 54.339 53.050 -0.069 0.000 0.703 126 N CB -1.214 37.253 38.487 -0.033 0.000 1.005 126 N HN -0.372 7.636 8.380 -0.271 0.209 0.550 127 W N -3.185 118.090 121.300 -0.042 0.000 2.390 127 W HA 0.130 4.920 4.660 -0.020 -0.142 0.397 127 W C -1.950 174.573 176.519 0.008 0.000 0.839 127 W CA -2.686 54.644 57.345 -0.025 0.000 2.576 127 W CB -0.865 28.566 29.460 -0.049 0.000 1.346 127 W HN 0.077 8.275 8.180 0.051 0.013 0.708 128 A N -1.516 121.437 122.820 0.221 0.000 3.306 128 A HA 0.352 4.777 4.320 0.175 0.000 0.236 128 A C -2.233 175.474 177.584 0.205 0.000 1.182 128 A CA -0.856 51.307 52.037 0.211 0.000 1.024 128 A CB -0.285 18.868 19.000 0.254 0.000 1.384 128 A HN -0.415 7.779 8.150 0.172 0.059 0.751 129 P HA 0.068 4.537 4.420 0.080 0.000 0.213 129 P C -0.167 177.215 177.300 0.137 0.000 1.176 129 P CA 0.587 63.752 63.100 0.108 0.000 0.894 129 P CB 1.023 32.766 31.700 0.072 0.000 0.771 130 S N -4.629 111.136 115.700 0.108 0.000 2.976 130 S HA 0.111 4.649 4.470 0.113 0.000 0.252 130 S C 0.844 175.482 174.600 0.063 0.000 0.940 130 S CA -0.021 58.234 58.200 0.092 0.000 1.283 130 S CB 0.161 63.407 63.200 0.077 0.000 1.194 130 S HN -0.177 8.188 8.310 0.091 0.000 0.662 131 M N 1.086 120.727 119.600 0.069 0.000 2.213 131 M HA -0.109 4.397 4.480 0.043 0.000 0.263 131 M C -0.654 175.680 176.300 0.056 0.000 1.062 131 M CA 1.771 57.104 55.300 0.055 0.000 1.105 131 M CB 0.235 32.867 32.600 0.055 0.000 1.385 131 M HN -0.409 7.933 8.290 0.087 0.000 0.417 132 D N -2.044 118.396 120.400 0.066 0.000 4.443 132 D HA -0.375 4.443 4.640 0.086 -0.126 0.302 132 D C -0.441 175.948 176.300 0.148 0.000 2.380 132 D CA 1.690 55.746 54.000 0.093 0.000 1.094 132 D CB -0.389 40.447 40.800 0.059 0.000 1.105 132 D HN -0.392 7.993 8.370 0.073 0.029 1.285 133 V N -1.837 118.235 119.914 0.263 0.000 5.898 133 V HA -0.444 3.833 4.120 0.262 0.000 0.185 133 V C -0.455 175.721 176.094 0.137 0.000 0.709 133 V CA 1.579 63.993 62.300 0.190 0.000 0.601 133 V CB -1.137 30.719 31.823 0.056 0.000 0.554 133 V HN 0.207 8.744 8.190 0.421 -0.095 0.405 134 A N 2.868 125.809 122.820 0.203 0.000 1.993 134 A HA -0.005 4.367 4.320 0.086 0.000 0.207 134 A C -1.767 175.886 177.584 0.115 0.000 1.224 134 A CA 1.197 53.319 52.037 0.142 0.000 0.749 134 A CB 1.737 20.841 19.000 0.173 0.000 0.884 134 A HN 0.307 8.659 8.150 0.337 0.000 0.467 135 V N -2.079 117.954 119.914 0.198 0.000 2.671 135 V HA 0.168 4.364 4.120 0.127 0.000 0.292 135 V C -1.329 174.887 176.094 0.204 0.000 1.115 135 V CA -0.229 62.198 62.300 0.211 0.000 0.918 135 V CB 1.190 33.234 31.823 0.368 0.000 1.036 135 V HN -0.655 7.699 8.190 0.275 0.000 0.445 136 G N 6.155 114.999 108.800 0.074 0.000 2.302 136 G HA2 -0.058 3.893 3.960 -0.014 0.000 0.264 136 G HA3 -0.058 3.817 3.960 -0.141 0.000 0.264 136 G C -2.389 172.441 174.900 -0.117 0.000 1.335 136 G CA 0.236 45.307 45.100 -0.049 0.000 0.982 136 G HN 0.152 8.478 8.290 0.060 0.000 0.473 137 E N -1.731 118.340 120.200 -0.215 0.000 2.425 137 E HA 0.354 4.617 4.350 -0.146 0.000 0.272 137 E C -1.572 174.881 176.600 -0.244 0.000 1.061 137 E CA -0.976 55.319 56.400 -0.176 0.000 0.877 137 E CB 2.628 32.268 29.700 -0.100 0.000 1.590 137 E HN 0.080 8.240 8.360 -0.333 0.000 0.462 138 I N 0.214 120.691 120.570 -0.154 0.000 2.410 138 I HA 0.266 4.340 4.170 -0.159 0.000 0.286 138 I C -1.303 174.767 176.117 -0.078 0.000 1.009 138 I CA -0.183 61.042 61.300 -0.125 0.000 1.111 138 I CB 1.086 39.033 38.000 -0.088 0.000 1.262 138 I HN 0.242 8.386 8.210 -0.111 0.000 0.443 139 L N 8.424 129.609 121.223 -0.064 0.000 2.472 139 L HA 0.210 4.529 4.340 -0.035 0.000 0.256 139 L C -0.909 175.947 176.870 -0.024 0.000 1.560 139 L CA -0.123 54.692 54.840 -0.040 0.000 0.805 139 L CB 0.829 42.863 42.059 -0.042 0.000 1.017 139 L HN 0.142 8.330 8.230 -0.070 0.000 0.519 140 A N 1.317 124.126 122.820 -0.019 0.000 1.815 140 A HA -0.122 4.193 4.320 -0.008 0.000 0.239 140 A C -0.382 177.201 177.584 -0.001 0.000 1.327 140 A CA 0.284 52.316 52.037 -0.008 0.000 0.710 140 A CB -0.241 18.756 19.000 -0.004 0.000 1.192 140 A HN -0.008 8.129 8.150 -0.023 0.000 0.255 141 E N 1.027 121.228 120.200 0.002 0.000 2.406 141 E HA -0.135 4.234 4.350 0.032 0.000 0.258 141 E C -0.914 175.699 176.600 0.021 0.000 1.043 141 E CA 0.001 56.414 56.400 0.022 0.000 0.929 141 E CB 0.033 29.753 29.700 0.032 0.000 0.969 141 E HN 0.055 8.413 8.360 -0.003 0.000 0.462 142 V N 0.000 119.931 119.914 0.028 0.000 2.409 142 V HA 0.000 4.131 4.120 0.018 0.000 0.244 142 V CA 0.000 62.313 62.300 0.022 0.000 1.235 142 V CB 0.000 31.833 31.823 0.017 0.000 1.184 142 V HN 0.000 8.213 8.190 0.038 0.000 0.556