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 2jsw_1_A DATA FIRST_RESID 2294 DATA SEQUENCE GIDPFTDPTV IAENELLGAA AAIEAAAKKL EQLKPRAKPK EADESLNFEE DATA SEQUENCE QILEAAKSIA AATSALVKAA SAAQRELVAQ GKVGAIPANA LDDGQWSQGL DATA SEQUENCE ISAARMVAAA TNNLCEAANA AVQGHASQEK LISSAKQVAA STAQLLVACK DATA SEQUENCE VKADQDSEAM KRLQAAGNAV KRASDNLVKA AQKAAAFED 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 2294 G HA2 0.000 nan 3.960 nan 0.000 0.244 2294 G HA3 0.000 3.975 3.960 0.024 0.000 0.244 2294 G C 0.000 174.917 174.900 0.029 0.000 0.946 2294 G CA 0.000 45.117 45.100 0.029 0.000 0.502 2295 I N 3.559 124.144 120.570 0.024 0.000 2.270 2295 I HA 0.200 4.380 4.170 0.018 0.000 0.300 2295 I C -1.570 174.564 176.117 0.029 0.000 1.186 2295 I CA -0.058 61.254 61.300 0.020 0.000 1.431 2295 I CB -0.703 37.304 38.000 0.011 0.000 1.485 2295 I HN -0.041 8.182 8.210 0.022 0.000 0.650 2296 D N 9.380 129.807 120.400 0.044 0.000 2.181 2296 D HA 0.358 5.042 4.640 0.073 0.000 0.248 2296 D C -1.156 175.174 176.300 0.050 0.000 1.020 2296 D CA -2.207 51.838 54.000 0.075 0.000 0.891 2296 D CB 0.873 41.744 40.800 0.118 0.000 1.187 2296 D HN -0.487 7.879 8.370 0.044 0.030 0.443 2297 P HA 0.063 4.382 4.420 -0.168 0.000 0.247 2297 P C -1.490 175.546 177.300 -0.440 0.000 1.225 2297 P CA 1.189 64.168 63.100 -0.202 0.000 0.768 2297 P CB 0.100 31.638 31.700 -0.270 0.000 1.020 2298 F N -3.616 116.340 119.950 0.010 0.000 2.856 2298 F HA 0.227 4.760 4.527 0.009 0.000 0.338 2298 F C -1.033 174.775 175.800 0.012 0.000 1.100 2298 F CA -0.730 57.276 58.000 0.010 0.000 1.150 2298 F CB 1.380 40.386 39.000 0.011 0.000 1.101 2298 F HN -0.649 7.654 8.300 0.192 0.112 0.548 2299 T N 0.632 115.272 114.554 0.143 0.000 3.433 2299 T HA -0.468 3.929 4.350 0.078 0.000 0.412 2299 T C -1.279 173.486 174.700 0.109 0.000 0.768 2299 T CA 1.005 63.163 62.100 0.096 0.000 2.077 2299 T CB -1.268 67.635 68.868 0.057 0.000 1.700 2299 T HN -0.508 7.798 8.240 0.110 0.000 0.666 2300 D N 0.492 120.965 120.400 0.121 0.000 2.488 2300 D HA 0.028 4.725 4.640 0.096 0.000 0.238 2300 D C 0.017 176.363 176.300 0.076 0.000 1.138 2300 D CA -0.634 53.424 54.000 0.096 0.000 0.873 2300 D CB 0.334 41.184 40.800 0.082 0.000 1.183 2300 D HN -0.249 8.202 8.370 0.135 0.000 0.458 2301 P HA -0.203 4.248 4.420 0.052 0.000 0.218 2301 P C 1.470 178.813 177.300 0.072 0.000 1.148 2301 P CA 2.470 65.609 63.100 0.065 0.000 0.822 2301 P CB 0.377 32.118 31.700 0.069 0.000 0.784 2302 T N -0.557 114.059 114.554 0.103 0.000 2.867 2302 T HA -0.286 4.151 4.350 0.145 0.000 0.268 2302 T C 1.643 176.394 174.700 0.086 0.000 1.057 2302 T CA 3.810 65.991 62.100 0.136 0.000 1.136 2302 T CB -0.664 68.322 68.868 0.196 0.000 0.874 2302 T HN -0.383 7.909 8.240 0.103 0.010 0.466 2303 V N 1.392 121.349 119.914 0.072 0.000 2.548 2303 V HA -0.328 3.824 4.120 0.053 0.000 0.249 2303 V C 1.307 177.422 176.094 0.034 0.000 1.055 2303 V CA 2.925 65.257 62.300 0.054 0.000 1.065 2303 V CB -1.129 30.729 31.823 0.057 0.000 0.681 2303 V HN -0.421 7.694 8.190 0.077 0.121 0.462 2304 I N -0.537 120.053 120.570 0.033 0.000 2.286 2304 I HA -0.473 3.707 4.170 0.016 0.000 0.248 2304 I C 1.858 177.974 176.117 -0.002 0.000 1.115 2304 I CA 1.491 62.801 61.300 0.017 0.000 1.392 2304 I CB -2.326 35.686 38.000 0.019 0.000 1.065 2304 I HN -0.144 8.002 8.210 0.045 0.090 0.418 2305 A N -0.596 122.217 122.820 -0.012 0.000 1.902 2305 A HA -0.410 3.875 4.320 -0.058 0.000 0.217 2305 A C 1.414 178.972 177.584 -0.044 0.000 1.181 2305 A CA 3.315 55.322 52.037 -0.051 0.000 0.623 2305 A CB -0.929 18.011 19.000 -0.101 0.000 0.818 2305 A HN -0.248 7.808 8.150 0.005 0.097 0.443 2306 E N -0.530 119.660 120.200 -0.016 0.000 2.085 2306 E HA -0.456 3.884 4.350 -0.017 0.000 0.194 2306 E C 2.245 178.840 176.600 -0.010 0.000 0.994 2306 E CA 3.430 59.825 56.400 -0.008 0.000 0.801 2306 E CB -0.195 29.514 29.700 0.014 0.000 0.743 2306 E HN -0.528 7.746 8.360 0.001 0.087 0.453 2307 N N -0.981 117.715 118.700 -0.006 0.000 2.120 2307 N HA -0.298 4.440 4.740 -0.003 0.000 0.188 2307 N C 2.482 177.984 175.510 -0.014 0.000 1.024 2307 N CA 3.424 56.470 53.050 -0.006 0.000 0.852 2307 N CB -0.199 38.287 38.487 -0.001 0.000 1.003 2307 N HN -0.561 7.812 8.380 -0.001 0.006 0.424 2308 E N 0.460 120.647 120.200 -0.022 0.000 2.106 2308 E HA -0.217 4.119 4.350 -0.023 0.000 0.192 2308 E C 2.547 179.126 176.600 -0.034 0.000 0.984 2308 E CA 2.306 58.689 56.400 -0.029 0.000 0.806 2308 E CB -0.472 29.204 29.700 -0.039 0.000 0.750 2308 E HN -0.662 7.592 8.360 -0.023 0.093 0.458 2309 L N -0.538 120.661 121.223 -0.039 0.000 2.056 2309 L HA -0.356 3.957 4.340 -0.046 0.000 0.207 2309 L C 2.287 179.143 176.870 -0.025 0.000 1.078 2309 L CA 3.170 57.987 54.840 -0.039 0.000 0.749 2309 L CB -0.525 41.507 42.059 -0.045 0.000 0.901 2309 L HN 0.400 8.519 8.230 -0.040 0.087 0.433 2310 L N -1.147 120.065 121.223 -0.018 0.000 2.083 2310 L HA -0.342 3.992 4.340 -0.010 0.000 0.209 2310 L C 2.415 179.278 176.870 -0.012 0.000 1.083 2310 L CA 3.883 58.716 54.840 -0.011 0.000 0.752 2310 L CB -0.982 41.073 42.059 -0.007 0.000 0.899 2310 L HN 0.368 8.588 8.230 -0.017 0.000 0.433 2311 G N -1.881 106.910 108.800 -0.014 0.000 2.418 2311 G HA2 -0.388 3.565 3.960 -0.011 0.000 0.217 2311 G HA3 -0.388 3.563 3.960 -0.014 0.000 0.217 2311 G C 0.665 175.556 174.900 -0.015 0.000 1.158 2311 G CA 2.105 47.197 45.100 -0.013 0.000 0.771 2311 G HN 0.049 8.258 8.290 -0.015 0.072 0.545 2312 A N 1.659 124.467 122.820 -0.020 0.000 1.898 2312 A HA -0.211 4.098 4.320 -0.019 0.000 0.216 2312 A C 1.796 179.370 177.584 -0.017 0.000 1.181 2312 A CA 2.810 54.835 52.037 -0.020 0.000 0.620 2312 A CB -0.681 18.302 19.000 -0.028 0.000 0.819 2312 A HN 0.056 8.120 8.150 -0.023 0.072 0.442 2313 A N -1.594 121.216 122.820 -0.016 0.000 1.883 2313 A HA -0.363 3.949 4.320 -0.013 0.000 0.217 2313 A C 1.825 179.403 177.584 -0.010 0.000 1.186 2313 A CA 3.011 55.041 52.037 -0.012 0.000 0.624 2313 A CB -0.759 18.234 19.000 -0.011 0.000 0.822 2313 A HN 0.398 8.362 8.150 -0.018 0.176 0.444 2314 A N -1.894 120.921 122.820 -0.009 0.000 1.908 2314 A HA -0.360 3.956 4.320 -0.007 0.000 0.218 2314 A C 1.749 179.328 177.584 -0.008 0.000 1.181 2314 A CA 2.864 54.897 52.037 -0.008 0.000 0.627 2314 A CB -0.546 18.450 19.000 -0.007 0.000 0.818 2314 A HN 0.246 8.390 8.150 -0.010 0.000 0.445 2315 A N -1.400 121.415 122.820 -0.009 0.000 1.898 2315 A HA -0.279 4.036 4.320 -0.008 0.000 0.216 2315 A C 2.164 179.743 177.584 -0.009 0.000 1.181 2315 A CA 2.861 54.892 52.037 -0.009 0.000 0.620 2315 A CB -0.682 18.311 19.000 -0.010 0.000 0.819 2315 A HN -0.481 7.571 8.150 -0.010 0.091 0.442 2316 I N -1.588 118.976 120.570 -0.010 0.000 2.252 2316 I HA -0.587 3.578 4.170 -0.009 0.000 0.245 2316 I C 2.052 178.164 176.117 -0.008 0.000 1.102 2316 I CA 4.321 65.615 61.300 -0.009 0.000 1.385 2316 I CB -0.144 37.850 38.000 -0.010 0.000 1.064 2316 I HN 0.156 8.289 8.210 -0.011 0.071 0.414 2317 E N -0.325 119.871 120.200 -0.008 0.000 2.204 2317 E HA -0.318 4.028 4.350 -0.007 0.000 0.194 2317 E C 2.405 179.001 176.600 -0.007 0.000 0.989 2317 E CA 2.922 59.318 56.400 -0.007 0.000 0.824 2317 E CB -0.352 29.344 29.700 -0.006 0.000 0.756 2317 E HN 0.392 8.639 8.360 -0.008 0.108 0.477 2318 A N -0.325 122.492 122.820 -0.006 0.000 1.929 2318 A HA -0.322 3.995 4.320 -0.006 0.000 0.216 2318 A C 1.490 179.071 177.584 -0.006 0.000 1.176 2318 A CA 3.066 55.099 52.037 -0.006 0.000 0.628 2318 A CB -0.758 18.239 19.000 -0.006 0.000 0.816 2318 A HN -0.186 7.847 8.150 -0.007 0.113 0.444 2319 A N -1.557 121.259 122.820 -0.006 0.000 1.930 2319 A HA -0.308 4.009 4.320 -0.005 0.000 0.217 2319 A C 1.617 179.196 177.584 -0.008 0.000 1.175 2319 A CA 2.757 54.790 52.037 -0.006 0.000 0.627 2319 A CB -0.537 18.460 19.000 -0.006 0.000 0.815 2319 A HN -0.395 7.676 8.150 -0.007 0.075 0.443 2320 A N -1.946 120.869 122.820 -0.008 0.000 1.972 2320 A HA -0.394 3.920 4.320 -0.011 0.000 0.219 2320 A C 1.564 179.142 177.584 -0.009 0.000 1.169 2320 A CA 2.983 55.014 52.037 -0.009 0.000 0.635 2320 A CB -0.826 18.169 19.000 -0.009 0.000 0.810 2320 A HN 0.443 8.416 8.150 -0.008 0.172 0.446 2321 K N -1.154 119.241 120.400 -0.008 0.000 2.025 2321 K HA -0.279 4.037 4.320 -0.007 0.000 0.207 2321 K C 2.004 178.600 176.600 -0.007 0.000 1.049 2321 K CA 2.766 59.048 56.287 -0.007 0.000 0.933 2321 K CB -0.034 32.463 32.500 -0.006 0.000 0.714 2321 K HN -0.196 7.833 8.250 -0.007 0.217 0.438 2322 K N -0.763 119.633 120.400 -0.007 0.000 2.147 2322 K HA -0.241 4.207 4.320 -0.006 -0.131 0.205 2322 K C 2.684 179.279 176.600 -0.009 0.000 1.049 2322 K CA 2.745 59.028 56.287 -0.007 0.000 0.936 2322 K CB -0.215 32.282 32.500 -0.005 0.000 0.722 2322 K HN -0.457 7.789 8.250 -0.007 0.000 0.446 2323 L N -3.113 118.103 121.223 -0.011 0.000 2.079 2323 L HA -0.265 4.065 4.340 -0.016 0.000 0.210 2323 L C 2.070 178.930 176.870 -0.017 0.000 1.081 2323 L CA 2.839 57.669 54.840 -0.016 0.000 0.752 2323 L CB -0.013 42.036 42.059 -0.018 0.000 0.896 2323 L HN -0.060 8.069 8.230 -0.010 0.095 0.433 2324 E N -3.385 116.807 120.200 -0.014 0.000 2.358 2324 E HA -0.185 4.155 4.350 -0.016 0.000 0.195 2324 E C 0.788 177.382 176.600 -0.011 0.000 1.010 2324 E CA 1.689 58.081 56.400 -0.013 0.000 0.856 2324 E CB -0.247 29.447 29.700 -0.011 0.000 0.795 2324 E HN -0.657 7.577 8.360 -0.012 0.119 0.504 2325 Q N -3.263 116.532 119.800 -0.009 0.000 2.403 2325 Q HA -0.103 4.233 4.340 -0.007 0.000 0.203 2325 Q C -0.271 175.725 176.000 -0.007 0.000 0.932 2325 Q CA -0.323 55.476 55.803 -0.007 0.000 0.945 2325 Q CB 0.330 29.064 28.738 -0.006 0.000 1.045 2325 Q HN -0.753 7.331 8.270 -0.010 0.180 0.511 2326 L N 0.534 121.750 121.223 -0.010 0.000 2.278 2326 L HA -0.006 4.330 4.340 -0.006 0.000 0.287 2326 L C -0.793 176.070 176.870 -0.012 0.000 1.072 2326 L CA -0.470 54.364 54.840 -0.011 0.000 0.819 2326 L CB -0.157 41.892 42.059 -0.017 0.000 1.176 2326 L HN -0.932 7.097 8.230 -0.013 0.193 0.435 2327 K N 6.645 127.041 120.400 -0.006 0.000 2.262 2327 K HA 0.311 4.626 4.320 -0.008 0.000 0.282 2327 K C -1.786 174.812 176.600 -0.003 0.000 1.066 2327 K CA -3.351 52.933 56.287 -0.005 0.000 0.901 2327 K CB 0.374 32.873 32.500 -0.001 0.000 1.089 2327 K HN 0.223 8.471 8.250 -0.003 0.000 0.476 2328 P HA 0.074 4.649 4.420 -0.008 -0.160 0.273 2328 P C 0.473 177.779 177.300 0.009 0.000 1.250 2328 P CA -0.566 62.531 63.100 -0.005 0.000 0.793 2328 P CB 0.862 32.553 31.700 -0.015 0.000 1.011 2329 R N -0.179 120.334 120.500 0.022 0.000 4.154 2329 R HA -0.085 4.270 4.340 0.025 0.000 0.186 2329 R C -1.232 175.083 176.300 0.025 0.000 1.750 2329 R CA 0.068 56.185 56.100 0.029 0.000 1.431 2329 R CB -1.983 28.344 30.300 0.046 0.000 1.383 2329 R HN 0.362 8.647 8.270 0.025 0.000 0.788 2330 A N 1.528 124.358 122.820 0.017 0.000 2.310 2330 A HA 0.226 4.557 4.320 0.018 0.000 0.304 2330 A C -1.657 175.934 177.584 0.011 0.000 1.231 2330 A CA -0.402 51.644 52.037 0.014 0.000 0.799 2330 A CB 0.796 19.802 19.000 0.010 0.000 1.162 2330 A HN 0.004 8.107 8.150 0.013 0.055 0.486 2331 K N 3.704 124.111 120.400 0.012 0.000 2.426 2331 K HA 0.456 4.781 4.320 0.008 0.000 0.251 2331 K C -2.025 174.581 176.600 0.009 0.000 0.941 2331 K CA -3.313 52.979 56.287 0.010 0.000 0.808 2331 K CB 1.011 33.517 32.500 0.010 0.000 1.265 2331 K HN 0.151 8.410 8.250 0.014 0.000 0.432 2332 P HA 0.114 4.538 4.420 0.007 0.000 0.231 2332 P C -1.439 175.865 177.300 0.006 0.000 1.756 2332 P CA 0.039 63.142 63.100 0.006 0.000 0.990 2332 P CB -0.939 30.764 31.700 0.005 0.000 1.973 2333 K N 1.264 121.668 120.400 0.007 0.000 2.246 2333 K HA 0.232 4.555 4.320 0.006 0.000 0.239 2333 K C -0.711 175.893 176.600 0.007 0.000 1.089 2333 K CA -1.470 54.821 56.287 0.007 0.000 0.892 2333 K CB 2.204 34.709 32.500 0.007 0.000 1.334 2333 K HN -0.180 8.012 8.250 0.008 0.062 0.507 2334 E N 1.008 121.212 120.200 0.006 0.000 1.852 2334 E HA 0.022 4.375 4.350 0.006 0.000 0.276 2334 E C -1.114 175.490 176.600 0.007 0.000 1.163 2334 E CA 0.236 56.639 56.400 0.006 0.000 1.117 2334 E CB -1.698 28.004 29.700 0.004 0.000 1.124 2334 E HN 0.230 8.593 8.360 0.006 0.000 0.458 2335 A N 4.603 127.428 122.820 0.008 0.000 3.317 2335 A HA 0.050 4.375 4.320 0.008 0.000 0.307 2335 A C -1.176 176.415 177.584 0.011 0.000 1.003 2335 A CA -0.372 51.671 52.037 0.010 0.000 0.882 2335 A CB 0.442 19.450 19.000 0.013 0.000 1.136 2335 A HN -0.165 7.956 8.150 0.008 0.034 0.488 2336 D N 1.119 121.525 120.400 0.008 0.000 2.453 2336 D HA 0.067 4.713 4.640 0.010 0.000 0.223 2336 D C -0.895 175.410 176.300 0.008 0.000 1.183 2336 D CA 0.441 54.446 54.000 0.009 0.000 0.933 2336 D CB -0.196 40.608 40.800 0.007 0.000 1.038 2336 D HN 0.088 8.462 8.370 0.007 0.000 0.513 2337 E N 2.910 123.117 120.200 0.012 0.000 2.445 2337 E HA 0.344 4.698 4.350 0.007 0.000 0.273 2337 E C -0.496 176.114 176.600 0.017 0.000 0.961 2337 E CA -1.027 55.380 56.400 0.011 0.000 0.807 2337 E CB 2.099 31.805 29.700 0.011 0.000 1.362 2337 E HN -0.170 8.199 8.360 0.015 0.000 0.453 2338 S N 0.520 116.229 115.700 0.016 0.000 2.685 2338 S HA -0.005 4.480 4.470 0.026 0.000 0.240 2338 S C -1.060 173.564 174.600 0.039 0.000 0.967 2338 S CA 0.694 58.908 58.200 0.024 0.000 1.009 2338 S CB 0.194 63.405 63.200 0.017 0.000 0.776 2338 S HN 0.293 8.609 8.310 0.009 0.000 0.467 2339 L N 0.846 122.095 121.223 0.044 0.000 2.701 2339 L HA 0.211 4.604 4.340 0.089 0.000 0.237 2339 L C -1.152 175.777 176.870 0.098 0.000 1.204 2339 L CA -0.541 54.343 54.840 0.073 0.000 1.109 2339 L CB -1.576 40.512 42.059 0.049 0.000 1.409 2339 L HN -0.100 8.024 8.230 0.035 0.127 0.428 2340 N N 0.401 119.162 118.700 0.101 0.000 2.327 2340 N HA 0.130 4.913 4.740 0.070 0.000 0.231 2340 N C 0.553 176.130 175.510 0.111 0.000 1.130 2340 N CA -0.290 52.810 53.050 0.083 0.000 0.845 2340 N CB 0.121 38.637 38.487 0.049 0.000 1.073 2340 N HN -0.194 8.187 8.380 0.094 0.055 0.496 2341 F N 1.972 121.924 119.950 0.004 0.000 2.065 2341 F HA -0.471 4.060 4.527 0.006 0.000 0.298 2341 F C 0.904 176.708 175.800 0.006 0.000 1.112 2341 F CA 3.973 61.976 58.000 0.005 0.000 1.212 2341 F CB 0.297 39.298 39.000 0.003 0.000 0.975 2341 F HN -0.105 8.241 8.300 0.284 0.125 0.476 2342 E N -2.657 117.482 120.200 -0.102 0.000 2.097 2342 E HA -0.494 3.631 4.350 -0.374 0.000 0.196 2342 E C 2.433 178.924 176.600 -0.181 0.000 1.000 2342 E CA 4.233 60.513 56.400 -0.200 0.000 0.804 2342 E CB -0.941 28.738 29.700 -0.036 0.000 0.740 2342 E HN 0.636 9.076 8.360 0.132 0.000 0.454 2343 E N -1.197 118.947 120.200 -0.093 0.000 2.072 2343 E HA -0.372 3.937 4.350 -0.067 0.000 0.190 2343 E C 2.294 178.842 176.600 -0.087 0.000 0.982 2343 E CA 3.056 59.414 56.400 -0.069 0.000 0.803 2343 E CB -0.389 29.295 29.700 -0.026 0.000 0.755 2343 E HN -0.604 7.635 8.360 -0.045 0.094 0.453 2344 Q N -0.897 118.849 119.800 -0.090 0.000 2.226 2344 Q HA -0.258 4.055 4.340 -0.045 0.000 0.204 2344 Q C 2.970 178.887 176.000 -0.139 0.000 0.975 2344 Q CA 2.946 58.703 55.803 -0.076 0.000 0.866 2344 Q CB -0.005 28.724 28.738 -0.014 0.000 0.915 2344 Q HN 0.184 8.412 8.270 -0.070 0.000 0.440 2345 I N -0.702 119.702 120.570 -0.277 0.000 2.333 2345 I HA -0.275 3.761 4.170 -0.222 0.000 0.246 2345 I C 1.597 177.610 176.117 -0.173 0.000 1.106 2345 I CA 0.636 61.759 61.300 -0.294 0.000 1.411 2345 I CB -1.152 36.524 38.000 -0.541 0.000 1.082 2345 I HN 0.406 8.298 8.210 -0.359 0.102 0.420 2346 L N 1.384 122.516 121.223 -0.152 0.000 1.989 2346 L HA -0.424 3.863 4.340 -0.088 0.000 0.211 2346 L C 1.204 178.035 176.870 -0.066 0.000 1.071 2346 L CA 4.114 58.898 54.840 -0.093 0.000 0.749 2346 L CB -0.436 41.579 42.059 -0.075 0.000 0.890 2346 L HN 0.288 8.225 8.230 -0.182 0.184 0.431 2347 E N -1.419 118.745 120.200 -0.059 0.000 2.058 2347 E HA -0.449 3.881 4.350 -0.033 0.000 0.194 2347 E C 2.278 178.856 176.600 -0.037 0.000 0.997 2347 E CA 3.014 59.390 56.400 -0.040 0.000 0.801 2347 E CB -0.823 28.858 29.700 -0.032 0.000 0.746 2347 E HN 0.169 8.489 8.360 -0.068 0.000 0.450 2348 A N -0.062 122.731 122.820 -0.046 0.000 1.968 2348 A HA -0.118 4.187 4.320 -0.025 0.000 0.217 2348 A C 2.436 180.000 177.584 -0.035 0.000 1.169 2348 A CA 2.374 54.389 52.037 -0.035 0.000 0.638 2348 A CB -0.666 18.313 19.000 -0.035 0.000 0.812 2348 A HN -0.592 7.522 8.150 -0.060 0.000 0.446 2349 A N -0.681 122.111 122.820 -0.047 0.000 1.940 2349 A HA -0.409 3.892 4.320 -0.032 0.000 0.219 2349 A C 1.756 179.324 177.584 -0.028 0.000 1.176 2349 A CA 3.367 55.380 52.037 -0.039 0.000 0.631 2349 A CB -0.724 18.246 19.000 -0.049 0.000 0.814 2349 A HN 0.676 8.677 8.150 -0.064 0.111 0.446 2350 K N -2.209 118.174 120.400 -0.028 0.000 2.103 2350 K HA -0.329 3.980 4.320 -0.019 0.000 0.204 2350 K C 2.346 178.936 176.600 -0.016 0.000 1.052 2350 K CA 3.373 59.647 56.287 -0.021 0.000 0.945 2350 K CB -0.130 32.358 32.500 -0.021 0.000 0.722 2350 K HN -0.271 7.869 8.250 -0.034 0.089 0.443 2351 S N 0.935 116.625 115.700 -0.017 0.000 2.382 2351 S HA -0.258 4.206 4.470 -0.010 0.000 0.228 2351 S C 2.168 176.762 174.600 -0.010 0.000 1.027 2351 S CA 3.443 61.636 58.200 -0.012 0.000 0.991 2351 S CB -0.792 62.401 63.200 -0.012 0.000 0.823 2351 S HN 0.072 8.283 8.310 -0.021 0.087 0.469 2352 I N 3.143 123.706 120.570 -0.012 0.000 2.163 2352 I HA -0.509 3.656 4.170 -0.007 0.000 0.240 2352 I C 1.485 177.596 176.117 -0.009 0.000 1.081 2352 I CA 3.989 65.284 61.300 -0.010 0.000 1.353 2352 I CB -0.479 37.515 38.000 -0.010 0.000 1.054 2352 I HN 0.021 8.222 8.210 -0.015 0.000 0.407 2353 A N 0.303 123.117 122.820 -0.011 0.000 1.917 2353 A HA -0.299 4.015 4.320 -0.010 0.000 0.219 2353 A C 1.988 179.567 177.584 -0.009 0.000 1.182 2353 A CA 3.144 55.175 52.037 -0.010 0.000 0.633 2353 A CB -0.813 18.180 19.000 -0.012 0.000 0.819 2353 A HN 0.361 8.391 8.150 -0.014 0.112 0.448 2354 A N -2.994 119.821 122.820 -0.008 0.000 1.897 2354 A HA -0.221 4.096 4.320 -0.006 0.000 0.215 2354 A C 1.941 179.522 177.584 -0.005 0.000 1.181 2354 A CA 2.829 54.862 52.037 -0.006 0.000 0.620 2354 A CB -0.605 18.391 19.000 -0.006 0.000 0.821 2354 A HN 0.536 8.568 8.150 -0.010 0.113 0.443 2355 A N -1.846 120.971 122.820 -0.005 0.000 1.897 2355 A HA -0.207 4.111 4.320 -0.002 0.000 0.215 2355 A C 2.162 179.744 177.584 -0.004 0.000 1.181 2355 A CA 3.096 55.131 52.037 -0.003 0.000 0.620 2355 A CB -0.505 18.493 19.000 -0.003 0.000 0.821 2355 A HN -0.278 7.792 8.150 -0.006 0.076 0.443 2356 T N -1.764 112.787 114.554 -0.005 0.000 2.737 2356 T HA -0.393 3.954 4.350 -0.006 0.000 0.265 2356 T C 2.165 176.861 174.700 -0.007 0.000 1.038 2356 T CA 4.524 66.620 62.100 -0.006 0.000 1.144 2356 T CB -0.582 68.282 68.868 -0.008 0.000 0.866 2356 T HN 0.632 8.751 8.240 -0.006 0.117 0.434 2357 S N 3.446 119.142 115.700 -0.007 0.000 2.382 2357 S HA -0.403 4.062 4.470 -0.008 0.000 0.228 2357 S C 1.746 176.343 174.600 -0.005 0.000 1.027 2357 S CA 4.347 62.544 58.200 -0.007 0.000 0.991 2357 S CB -0.514 62.683 63.200 -0.006 0.000 0.823 2357 S HN -0.474 7.832 8.310 -0.007 0.000 0.469 2358 A N 1.469 124.287 122.820 -0.003 0.000 1.969 2358 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 2358 A C 1.763 179.347 177.584 0.001 0.000 1.169 2358 A CA 2.755 54.792 52.037 -0.001 0.000 0.635 2358 A CB -0.724 18.276 19.000 0.000 0.000 0.810 2358 A HN -0.372 7.693 8.150 -0.003 0.083 0.445 2359 L N -0.829 120.393 121.223 -0.001 0.000 2.005 2359 L HA -0.238 4.104 4.340 0.004 0.000 0.207 2359 L C 1.773 178.641 176.870 -0.003 0.000 1.072 2359 L CA 3.165 58.005 54.840 -0.000 0.000 0.744 2359 L CB -0.514 41.544 42.059 -0.002 0.000 0.895 2359 L HN -0.120 7.986 8.230 -0.002 0.122 0.433 2360 V N -0.971 118.938 119.914 -0.009 0.000 2.490 2360 V HA -0.479 3.629 4.120 -0.021 0.000 0.250 2360 V C 1.321 177.409 176.094 -0.011 0.000 1.061 2360 V CA 3.712 66.003 62.300 -0.015 0.000 1.064 2360 V CB 0.101 31.912 31.823 -0.020 0.000 0.670 2360 V HN 0.152 8.337 8.190 -0.009 0.000 0.461 2361 K N -1.108 119.290 120.400 -0.005 0.000 2.155 2361 K HA -0.365 3.954 4.320 -0.002 0.000 0.203 2361 K C 2.139 178.743 176.600 0.007 0.000 1.052 2361 K CA 3.385 59.672 56.287 0.000 0.000 0.948 2361 K CB -0.471 32.030 32.500 0.001 0.000 0.728 2361 K HN -0.435 7.801 8.250 -0.005 0.011 0.448 2362 A N -0.662 122.163 122.820 0.009 0.000 1.930 2362 A HA -0.062 4.269 4.320 0.019 0.000 0.215 2362 A C 1.699 179.298 177.584 0.025 0.000 1.176 2362 A CA 2.623 54.670 52.037 0.017 0.000 0.632 2362 A CB -0.943 18.066 19.000 0.016 0.000 0.819 2362 A HN -0.196 7.824 8.150 0.005 0.132 0.445 2363 A N -0.278 122.551 122.820 0.016 0.000 1.877 2363 A HA -0.368 3.977 4.320 0.042 0.000 0.216 2363 A C 1.818 179.417 177.584 0.025 0.000 1.186 2363 A CA 3.150 55.198 52.037 0.018 0.000 0.620 2363 A CB -0.902 18.087 19.000 -0.017 0.000 0.822 2363 A HN 0.533 8.687 8.150 0.007 0.000 0.443 2364 S N -0.761 114.943 115.700 0.008 0.000 2.370 2364 S HA -0.328 4.147 4.470 0.008 0.000 0.226 2364 S C 1.938 176.562 174.600 0.040 0.000 1.033 2364 S CA 2.955 61.164 58.200 0.015 0.000 1.011 2364 S CB -0.423 62.779 63.200 0.003 0.000 0.852 2364 S HN -0.387 7.922 8.310 -0.002 0.000 0.457 2365 A N 1.251 124.093 122.820 0.037 0.000 1.858 2365 A HA -0.366 3.977 4.320 0.037 0.000 0.216 2365 A C 1.432 179.051 177.584 0.059 0.000 1.190 2365 A CA 3.075 55.137 52.037 0.041 0.000 0.617 2365 A CB -0.859 18.159 19.000 0.030 0.000 0.827 2365 A HN -0.416 7.651 8.150 0.028 0.100 0.443 2366 A N -1.880 120.983 122.820 0.071 0.000 1.883 2366 A HA -0.396 3.965 4.320 0.069 0.000 0.217 2366 A C 2.082 179.751 177.584 0.142 0.000 1.186 2366 A CA 3.097 55.190 52.037 0.093 0.000 0.624 2366 A CB -0.876 18.187 19.000 0.104 0.000 0.822 2366 A HN 0.421 8.499 8.150 0.062 0.110 0.444 2367 Q N -0.571 119.349 119.800 0.201 0.000 2.050 2367 Q HA -0.450 4.196 4.340 0.509 0.000 0.202 2367 Q C 2.043 178.159 176.000 0.194 0.000 0.980 2367 Q CA 3.086 59.082 55.803 0.323 0.000 0.840 2367 Q CB -0.161 28.737 28.738 0.266 0.000 0.898 2367 Q HN 0.246 8.610 8.270 0.157 0.000 0.424 2368 R N -0.218 120.353 120.500 0.119 0.000 2.096 2368 R HA -0.376 4.017 4.340 0.087 0.000 0.235 2368 R C 2.313 178.650 176.300 0.063 0.000 1.127 2368 R CA 3.330 59.479 56.100 0.081 0.000 0.968 2368 R CB -0.273 30.061 30.300 0.056 0.000 0.861 2368 R HN 0.174 8.394 8.270 0.104 0.112 0.440 2369 E N -0.926 119.308 120.200 0.058 0.000 2.085 2369 E HA -0.304 4.064 4.350 0.029 0.000 0.194 2369 E C 2.692 179.306 176.600 0.024 0.000 0.994 2369 E CA 2.890 59.311 56.400 0.036 0.000 0.801 2369 E CB -0.578 29.141 29.700 0.031 0.000 0.743 2369 E HN -0.061 8.329 8.360 0.067 0.010 0.453 2370 L N -1.574 119.666 121.223 0.028 0.000 2.141 2370 L HA -0.360 3.961 4.340 -0.032 0.000 0.209 2370 L C 2.184 179.054 176.870 0.000 0.000 1.094 2370 L CA 2.879 57.712 54.840 -0.012 0.000 0.763 2370 L CB -0.414 41.608 42.059 -0.062 0.000 0.908 2370 L HN -0.710 7.470 8.230 0.057 0.084 0.437 2371 V N -0.455 119.484 119.914 0.041 0.000 2.307 2371 V HA -0.557 3.584 4.120 0.036 0.000 0.245 2371 V C 1.883 177.992 176.094 0.025 0.000 1.045 2371 V CA 3.921 66.247 62.300 0.043 0.000 1.024 2371 V CB -0.211 31.654 31.823 0.070 0.000 0.651 2371 V HN -0.328 7.790 8.190 0.066 0.112 0.449 2372 A N -2.250 120.585 122.820 0.026 0.000 1.933 2372 A HA -0.294 4.040 4.320 0.022 0.000 0.218 2372 A C 1.776 179.364 177.584 0.007 0.000 1.175 2372 A CA 2.478 54.526 52.037 0.019 0.000 0.628 2372 A CB -0.218 18.794 19.000 0.020 0.000 0.814 2372 A HN 0.041 8.210 8.150 0.032 0.000 0.444 2373 Q N -3.938 115.861 119.800 -0.001 0.000 2.331 2373 Q HA -0.068 4.268 4.340 -0.008 0.000 0.203 2373 Q C 0.557 176.545 176.000 -0.020 0.000 0.944 2373 Q CA 0.079 55.876 55.803 -0.011 0.000 0.892 2373 Q CB 0.775 29.503 28.738 -0.017 0.000 0.983 2373 Q HN -0.558 7.702 8.270 0.002 0.011 0.482 2374 G N -1.280 107.507 108.800 -0.022 0.000 2.289 2374 G HA2 -0.239 3.703 3.960 -0.030 0.000 0.280 2374 G HA3 -0.239 3.701 3.960 -0.033 0.000 0.280 2374 G C -0.109 174.762 174.900 -0.049 0.000 1.089 2374 G CA 0.551 45.631 45.100 -0.033 0.000 0.939 2374 G HN -0.380 7.742 8.290 -0.013 0.160 0.499 2375 K N -1.049 119.314 120.400 -0.062 0.000 2.469 2375 K HA 0.294 4.569 4.320 -0.075 0.000 0.204 2375 K C -0.913 175.607 176.600 -0.132 0.000 1.047 2375 K CA -0.913 55.324 56.287 -0.084 0.000 1.072 2375 K CB 0.932 33.386 32.500 -0.077 0.000 0.863 2375 K HN 0.058 8.275 8.250 -0.056 0.000 0.530 2376 V N -1.613 118.219 119.914 -0.138 0.000 3.307 2376 V HA 0.201 4.133 4.120 -0.313 0.000 0.244 2376 V C -1.085 174.916 176.094 -0.155 0.000 1.196 2376 V CA -0.548 61.615 62.300 -0.229 0.000 1.132 2376 V CB 2.123 33.785 31.823 -0.268 0.000 0.875 2376 V HN -0.376 7.698 8.190 -0.094 0.059 0.468 2377 G N -1.618 107.134 108.800 -0.079 0.000 2.189 2377 G HA2 -0.195 3.737 3.960 -0.047 0.000 0.113 2377 G HA3 -0.195 3.745 3.960 -0.034 0.000 0.113 2377 G C -0.537 174.362 174.900 -0.002 0.000 1.038 2377 G CA -0.252 44.824 45.100 -0.040 0.000 0.704 2377 G HN -0.039 8.208 8.290 -0.073 0.000 0.490 2378 A N 1.286 124.104 122.820 -0.004 0.000 2.810 2378 A HA 0.309 4.662 4.320 0.054 0.000 0.247 2378 A C -1.193 176.383 177.584 -0.013 0.000 1.576 2378 A CA -0.528 51.522 52.037 0.021 0.000 1.294 2378 A CB -0.727 18.291 19.000 0.029 0.000 0.976 2378 A HN 0.234 8.371 8.150 -0.023 0.000 0.631 2379 I N -1.757 118.794 120.570 -0.031 0.000 2.512 2379 I HA 0.440 4.681 4.170 -0.114 -0.140 0.287 2379 I C -1.711 174.379 176.117 -0.046 0.000 1.069 2379 I CA -4.210 57.040 61.300 -0.084 0.000 1.056 2379 I CB 1.003 38.926 38.000 -0.129 0.000 1.229 2379 I HN -0.350 7.728 8.210 -0.015 0.122 0.429 2380 P HA -0.309 4.130 4.420 0.032 0.000 0.218 2380 P C 0.875 178.174 177.300 -0.001 0.000 1.152 2380 P CA 2.790 65.899 63.100 0.015 0.000 0.857 2380 P CB -0.061 31.676 31.700 0.061 0.000 0.787 2381 A N -4.690 118.109 122.820 -0.034 0.000 2.172 2381 A HA -0.133 4.182 4.320 -0.010 0.000 0.216 2381 A C 0.500 178.070 177.584 -0.023 0.000 1.154 2381 A CA 1.768 53.787 52.037 -0.029 0.000 0.701 2381 A CB -0.702 18.266 19.000 -0.053 0.000 0.789 2381 A HN 0.249 8.335 8.150 -0.073 0.021 0.465 2382 N N -3.755 114.931 118.700 -0.024 0.000 2.299 2382 N HA 0.212 4.944 4.740 -0.012 0.000 0.246 2382 N C -0.764 174.748 175.510 0.003 0.000 1.254 2382 N CA 0.025 53.065 53.050 -0.016 0.000 0.879 2382 N CB 1.543 40.012 38.487 -0.029 0.000 1.214 2382 N HN 0.155 8.321 8.380 -0.030 0.196 0.510 2383 A N 1.348 124.176 122.820 0.013 0.000 2.119 2383 A HA -0.078 4.268 4.320 0.043 0.000 0.217 2383 A C 1.327 178.934 177.584 0.039 0.000 1.153 2383 A CA 2.449 54.506 52.037 0.033 0.000 0.692 2383 A CB -0.155 18.867 19.000 0.036 0.000 0.799 2383 A HN -0.432 7.550 8.150 0.008 0.172 0.458 2384 L N -1.991 119.248 121.223 0.027 0.000 2.042 2384 L HA -0.326 4.032 4.340 0.030 0.000 0.210 2384 L C 1.514 178.406 176.870 0.037 0.000 1.076 2384 L CA 2.928 57.785 54.840 0.028 0.000 0.749 2384 L CB -1.007 41.062 42.059 0.017 0.000 0.893 2384 L HN -0.007 8.196 8.230 0.018 0.039 0.432 2385 D N -1.959 118.461 120.400 0.033 0.000 2.110 2385 D HA -0.183 4.481 4.640 0.040 0.000 0.202 2385 D C 1.568 177.918 176.300 0.082 0.000 0.975 2385 D CA 3.094 57.117 54.000 0.039 0.000 0.839 2385 D CB 0.657 41.461 40.800 0.007 0.000 0.996 2385 D HN -0.739 7.638 8.370 0.023 0.007 0.464 2386 D N -0.467 119.986 120.400 0.089 0.000 2.183 2386 D HA -0.175 4.602 4.640 0.230 0.000 0.203 2386 D C 2.156 178.582 176.300 0.210 0.000 0.969 2386 D CA 2.469 56.575 54.000 0.178 0.000 0.842 2386 D CB 0.071 40.958 40.800 0.145 0.000 0.957 2386 D HN -0.718 7.686 8.370 0.057 0.000 0.484 2387 G N -1.414 107.460 108.800 0.122 0.000 2.450 2387 G HA2 -0.310 3.700 3.960 0.082 0.000 0.220 2387 G HA3 -0.310 3.748 3.960 0.064 -0.059 0.220 2387 G C 1.376 176.325 174.900 0.083 0.000 1.130 2387 G CA 2.144 47.297 45.100 0.088 0.000 0.760 2387 G HN 0.632 8.847 8.290 0.094 0.131 0.557 2388 Q N 0.123 119.986 119.800 0.106 0.000 2.269 2388 Q HA -0.131 4.242 4.340 0.055 0.000 0.201 2388 Q C 2.259 178.340 176.000 0.135 0.000 0.946 2388 Q CA 2.042 57.900 55.803 0.093 0.000 0.877 2388 Q CB 0.145 28.933 28.738 0.084 0.000 0.963 2388 Q HN -0.598 7.714 8.270 0.115 0.027 0.472 2389 W N 1.916 123.215 121.300 -0.000 0.000 2.443 2389 W HA -0.176 4.484 4.660 -0.001 0.000 0.296 2389 W C 1.505 178.025 176.519 0.001 0.000 1.202 2389 W CA 3.022 60.367 57.345 -0.000 0.000 1.312 2389 W CB 0.146 29.605 29.460 -0.002 0.000 1.120 2389 W HN -0.819 7.421 8.180 0.318 0.131 0.536 2390 S N -0.132 115.554 115.700 -0.022 0.000 2.351 2390 S HA -0.555 3.651 4.470 -0.441 0.000 0.220 2390 S C 2.227 176.705 174.600 -0.202 0.000 1.035 2390 S CA 3.986 62.070 58.200 -0.194 0.000 1.031 2390 S CB -0.157 63.039 63.200 -0.006 0.000 0.928 2390 S HN 0.855 9.177 8.310 0.224 0.123 0.433 2391 Q N -0.607 119.138 119.800 -0.092 0.000 2.170 2391 Q HA -0.250 4.042 4.340 -0.080 0.000 0.203 2391 Q C 2.946 178.883 176.000 -0.104 0.000 0.976 2391 Q CA 2.746 58.502 55.803 -0.078 0.000 0.858 2391 Q CB -0.437 28.282 28.738 -0.030 0.000 0.907 2391 Q HN 0.140 8.280 8.270 -0.033 0.110 0.433 2392 G N 0.210 108.939 108.800 -0.119 0.000 2.421 2392 G HA2 -0.282 3.634 3.960 -0.073 0.000 0.216 2392 G HA3 -0.282 3.620 3.960 -0.096 0.000 0.216 2392 G C 1.142 175.924 174.900 -0.195 0.000 1.171 2392 G CA 1.720 46.748 45.100 -0.120 0.000 0.775 2392 G HN -0.417 7.727 8.290 -0.097 0.087 0.543 2393 L N 2.486 123.490 121.223 -0.364 0.000 2.046 2393 L HA -0.254 3.901 4.340 -0.309 0.000 0.208 2393 L C 1.983 178.710 176.870 -0.239 0.000 1.077 2393 L CA 2.812 57.418 54.840 -0.389 0.000 0.747 2393 L CB 0.014 41.651 42.059 -0.703 0.000 0.896 2393 L HN 0.221 8.051 8.230 -0.482 0.111 0.432 2394 I N -1.261 119.182 120.570 -0.212 0.000 2.179 2394 I HA -0.675 3.418 4.170 -0.129 0.000 0.242 2394 I C 1.885 177.945 176.117 -0.095 0.000 1.088 2394 I CA 4.701 65.920 61.300 -0.134 0.000 1.357 2394 I CB -0.433 37.502 38.000 -0.108 0.000 1.051 2394 I HN 0.674 8.624 8.210 -0.249 0.112 0.409 2395 S N 0.094 115.742 115.700 -0.087 0.000 2.368 2395 S HA -0.332 4.108 4.470 -0.049 0.000 0.225 2395 S C 2.224 176.790 174.600 -0.056 0.000 1.030 2395 S CA 3.771 61.935 58.200 -0.059 0.000 0.999 2395 S CB -0.413 62.758 63.200 -0.048 0.000 0.844 2395 S HN 0.303 8.438 8.310 -0.100 0.114 0.459 2396 A N 2.021 124.799 122.820 -0.071 0.000 1.933 2396 A HA -0.274 4.020 4.320 -0.043 0.000 0.218 2396 A C 1.359 178.910 177.584 -0.055 0.000 1.175 2396 A CA 2.712 54.714 52.037 -0.059 0.000 0.628 2396 A CB -0.821 18.138 19.000 -0.068 0.000 0.814 2396 A HN -0.204 7.892 8.150 -0.091 0.000 0.444 2397 A N -1.423 121.355 122.820 -0.070 0.000 1.902 2397 A HA -0.286 4.004 4.320 -0.051 0.000 0.217 2397 A C 2.214 179.772 177.584 -0.042 0.000 1.181 2397 A CA 3.021 55.023 52.037 -0.058 0.000 0.623 2397 A CB -0.680 18.277 19.000 -0.071 0.000 0.818 2397 A HN 0.266 8.269 8.150 -0.091 0.092 0.443 2398 R N -2.594 117.881 120.500 -0.042 0.000 2.148 2398 R HA -0.276 4.047 4.340 -0.028 0.000 0.227 2398 R C 2.289 178.574 176.300 -0.024 0.000 1.103 2398 R CA 2.630 58.712 56.100 -0.031 0.000 0.983 2398 R CB -0.598 29.685 30.300 -0.029 0.000 0.874 2398 R HN -0.116 8.124 8.270 -0.050 0.000 0.451 2399 M N 0.693 120.277 119.600 -0.027 0.000 2.099 2399 M HA -0.257 4.213 4.480 -0.016 0.000 0.262 2399 M C 1.532 177.822 176.300 -0.017 0.000 1.067 2399 M CA 4.032 59.320 55.300 -0.020 0.000 1.124 2399 M CB 0.119 32.707 32.600 -0.021 0.000 1.353 2399 M HN -0.293 7.850 8.290 -0.033 0.126 0.410 2400 V N -1.912 117.990 119.914 -0.021 0.000 2.427 2400 V HA -0.262 3.850 4.120 -0.013 0.000 0.248 2400 V C 1.385 177.470 176.094 -0.015 0.000 1.051 2400 V CA 3.292 65.582 62.300 -0.017 0.000 1.048 2400 V CB -0.847 30.964 31.823 -0.019 0.000 0.666 2400 V HN 0.236 8.410 8.190 -0.026 0.000 0.456 2401 A N 0.546 123.356 122.820 -0.018 0.000 1.902 2401 A HA -0.209 4.103 4.320 -0.014 0.000 0.217 2401 A C 1.645 179.222 177.584 -0.011 0.000 1.181 2401 A CA 2.963 54.991 52.037 -0.015 0.000 0.623 2401 A CB -0.737 18.252 19.000 -0.018 0.000 0.818 2401 A HN 0.417 8.434 8.150 -0.022 0.120 0.443 2402 A N -2.178 120.636 122.820 -0.011 0.000 1.873 2402 A HA -0.343 3.973 4.320 -0.006 0.000 0.215 2402 A C 1.514 179.096 177.584 -0.004 0.000 1.186 2402 A CA 2.790 54.823 52.037 -0.007 0.000 0.616 2402 A CB -0.431 18.565 19.000 -0.007 0.000 0.823 2402 A HN -0.091 7.944 8.150 -0.013 0.106 0.442 2403 A N -1.593 121.224 122.820 -0.005 0.000 1.865 2403 A HA -0.330 3.990 4.320 -0.000 0.000 0.217 2403 A C 2.019 179.602 177.584 -0.002 0.000 1.191 2403 A CA 3.362 55.398 52.037 -0.002 0.000 0.623 2403 A CB -0.631 18.367 19.000 -0.004 0.000 0.826 2403 A HN 0.270 8.415 8.150 -0.008 0.000 0.444 2404 T N -2.603 111.948 114.554 -0.004 0.000 2.915 2404 T HA -0.373 3.975 4.350 -0.003 0.000 0.269 2404 T C 2.142 176.840 174.700 -0.003 0.000 1.071 2404 T CA 4.034 66.132 62.100 -0.004 0.000 1.132 2404 T CB -0.381 68.483 68.868 -0.007 0.000 0.878 2404 T HN 0.349 8.473 8.240 -0.006 0.112 0.479 2405 N N 1.495 120.193 118.700 -0.003 0.000 2.171 2405 N HA -0.290 4.448 4.740 -0.003 0.000 0.184 2405 N C 1.624 177.135 175.510 0.002 0.000 1.021 2405 N CA 3.331 56.380 53.050 -0.002 0.000 0.854 2405 N CB 0.279 38.764 38.487 -0.003 0.000 0.994 2405 N HN -0.374 7.882 8.380 -0.004 0.121 0.426 2406 N N 1.042 119.744 118.700 0.004 0.000 2.188 2406 N HA -0.273 4.474 4.740 0.011 0.000 0.184 2406 N C 2.229 177.747 175.510 0.013 0.000 1.018 2406 N CA 2.693 55.749 53.050 0.010 0.000 0.858 2406 N CB -0.241 38.252 38.487 0.010 0.000 0.989 2406 N HN 0.308 8.504 8.380 0.002 0.186 0.426 2407 L N 0.884 122.112 121.223 0.009 0.000 2.093 2407 L HA -0.161 4.189 4.340 0.016 0.000 0.208 2407 L C 1.174 178.048 176.870 0.006 0.000 1.085 2407 L CA 2.971 57.817 54.840 0.009 0.000 0.755 2407 L CB -0.443 41.618 42.059 0.004 0.000 0.904 2407 L HN 0.074 8.298 8.230 0.005 0.009 0.435 2408 C N -0.832 118.469 119.300 0.002 0.000 2.425 2408 C HA -0.441 4.015 4.460 -0.006 0.000 0.277 2408 C C 1.752 176.746 174.990 0.006 0.000 1.280 2408 C CA 3.754 62.772 59.018 -0.001 0.000 1.744 2408 C CB -0.823 26.915 27.740 -0.003 0.000 1.989 2408 C HN -0.310 7.819 8.230 0.002 0.102 0.491 2409 E N -0.484 119.724 120.200 0.013 0.000 2.107 2409 E HA -0.335 4.026 4.350 0.020 0.000 0.191 2409 E C 2.150 178.774 176.600 0.039 0.000 0.982 2409 E CA 2.958 59.371 56.400 0.023 0.000 0.809 2409 E CB -0.212 29.501 29.700 0.022 0.000 0.756 2409 E HN -0.468 7.792 8.360 0.012 0.107 0.459 2410 A N -0.308 122.535 122.820 0.040 0.000 1.898 2410 A HA -0.316 4.051 4.320 0.079 0.000 0.216 2410 A C 1.735 179.349 177.584 0.051 0.000 1.181 2410 A CA 3.060 55.131 52.037 0.056 0.000 0.620 2410 A CB -0.637 18.392 19.000 0.049 0.000 0.819 2410 A HN 0.096 8.189 8.150 0.030 0.075 0.442 2411 A N -2.084 120.747 122.820 0.019 0.000 1.933 2411 A HA -0.362 3.939 4.320 -0.032 0.000 0.218 2411 A C 1.579 179.159 177.584 -0.006 0.000 1.175 2411 A CA 2.987 55.014 52.037 -0.015 0.000 0.628 2411 A CB -0.651 18.327 19.000 -0.037 0.000 0.814 2411 A HN 0.619 8.664 8.150 0.014 0.114 0.444 2412 N N -1.662 117.046 118.700 0.013 0.000 2.104 2412 N HA -0.392 4.352 4.740 0.006 0.000 0.190 2412 N C 1.846 177.384 175.510 0.048 0.000 1.024 2412 N CA 3.320 56.382 53.050 0.020 0.000 0.853 2412 N CB -0.073 38.427 38.487 0.020 0.000 1.008 2412 N HN -0.136 8.056 8.380 0.015 0.196 0.424 2413 A N -1.239 121.632 122.820 0.086 0.000 1.873 2413 A HA -0.208 4.198 4.320 0.144 0.000 0.215 2413 A C 1.647 179.323 177.584 0.154 0.000 1.186 2413 A CA 2.772 54.904 52.037 0.157 0.000 0.616 2413 A CB -0.656 18.506 19.000 0.270 0.000 0.823 2413 A HN -0.465 7.729 8.150 0.080 0.005 0.442 2414 A N -1.848 121.043 122.820 0.118 0.000 1.877 2414 A HA -0.341 4.243 4.320 0.276 -0.098 0.216 2414 A C 2.513 180.137 177.584 0.066 0.000 1.186 2414 A CA 2.846 54.971 52.037 0.147 0.000 0.620 2414 A CB -0.487 18.533 19.000 0.034 0.000 0.822 2414 A HN -0.600 7.526 8.150 0.091 0.078 0.443 2415 V N -2.947 116.956 119.914 -0.018 0.000 2.490 2415 V HA -0.368 3.709 4.120 -0.071 0.000 0.250 2415 V C 2.050 178.160 176.094 0.025 0.000 1.061 2415 V CA 3.697 65.979 62.300 -0.030 0.000 1.064 2415 V CB -0.887 30.910 31.823 -0.043 0.000 0.670 2415 V HN 0.244 8.419 8.190 -0.024 0.000 0.461 2416 Q N -4.906 114.925 119.800 0.052 0.000 2.424 2416 Q HA -0.021 4.343 4.340 0.040 0.000 0.204 2416 Q C 0.744 176.793 176.000 0.082 0.000 0.933 2416 Q CA 0.556 56.394 55.803 0.057 0.000 0.929 2416 Q CB 0.428 29.197 28.738 0.052 0.000 1.037 2416 Q HN -0.737 7.432 8.270 0.061 0.137 0.511 2417 G N -2.905 105.965 108.800 0.117 0.000 2.797 2417 G HA2 -0.222 3.811 3.960 0.122 0.000 0.195 2417 G HA3 -0.222 3.800 3.960 0.103 0.000 0.195 2417 G C -0.680 174.316 174.900 0.161 0.000 1.026 2417 G CA -0.313 44.862 45.100 0.126 0.000 0.759 2417 G HN -0.483 7.735 8.290 0.129 0.150 0.475 2418 H N 5.782 124.895 119.070 0.070 0.000 3.198 2418 H HA -0.007 4.577 4.556 0.048 0.000 0.255 2418 H C -1.361 174.028 175.328 0.100 0.000 1.729 2418 H CA -1.533 54.553 56.048 0.064 0.000 1.495 2418 H CB -0.779 29.011 29.762 0.047 0.000 1.807 2418 H HN -0.243 8.181 8.280 0.240 0.000 0.554 2419 A N 6.563 129.361 122.820 -0.036 0.000 2.438 2419 A HA -0.059 4.395 4.320 0.223 0.000 0.280 2419 A C -0.927 176.546 177.584 -0.186 0.000 1.160 2419 A CA 0.375 52.411 52.037 -0.002 0.000 0.821 2419 A CB 0.249 19.195 19.000 -0.089 0.000 1.101 2419 A HN -0.208 7.902 8.150 -0.002 0.038 0.515 2420 S N 5.869 121.507 115.700 -0.104 0.000 2.532 2420 S HA 0.170 4.541 4.470 -0.165 0.000 0.256 2420 S C -0.115 174.494 174.600 0.016 0.000 1.298 2420 S CA -0.651 57.479 58.200 -0.116 0.000 1.166 2420 S CB 0.842 63.958 63.200 -0.140 0.000 1.022 2420 S HN 0.182 8.515 8.310 0.039 0.000 0.480 2421 Q N 7.328 127.137 119.800 0.015 0.000 2.119 2421 Q HA -0.423 3.985 4.340 0.114 0.000 0.201 2421 Q C 1.154 177.202 176.000 0.079 0.000 0.972 2421 Q CA 4.187 60.034 55.803 0.074 0.000 0.847 2421 Q CB 0.405 29.194 28.738 0.086 0.000 0.903 2421 Q HN 0.571 8.820 8.270 -0.034 0.000 0.433 2422 E N 0.315 120.558 120.200 0.072 0.000 2.031 2422 E HA -0.350 4.027 4.350 0.046 0.000 0.193 2422 E C 2.091 178.716 176.600 0.043 0.000 0.994 2422 E CA 3.776 60.209 56.400 0.056 0.000 0.800 2422 E CB -0.551 29.185 29.700 0.061 0.000 0.752 2422 E HN 0.434 8.822 8.360 0.066 0.011 0.447 2423 K N -1.336 119.092 120.400 0.045 0.000 2.032 2423 K HA -0.318 4.027 4.320 0.042 0.000 0.209 2423 K C 2.595 179.225 176.600 0.050 0.000 1.048 2423 K CA 3.171 59.487 56.287 0.048 0.000 0.927 2423 K CB -0.419 32.117 32.500 0.060 0.000 0.712 2423 K HN -0.067 8.208 8.250 0.041 0.000 0.441 2424 L N 0.134 121.397 121.223 0.066 0.000 1.994 2424 L HA -0.289 4.087 4.340 0.060 0.000 0.208 2424 L C 1.710 178.612 176.870 0.054 0.000 1.071 2424 L CA 3.136 58.019 54.840 0.072 0.000 0.745 2424 L CB -0.099 42.035 42.059 0.125 0.000 0.892 2424 L HN -0.019 8.254 8.230 0.072 0.000 0.431 2425 I N -1.273 119.329 120.570 0.053 0.000 2.202 2425 I HA -0.613 3.577 4.170 0.033 0.000 0.242 2425 I C 2.132 178.258 176.117 0.014 0.000 1.091 2425 I CA 4.573 65.891 61.300 0.030 0.000 1.368 2425 I CB -0.358 37.650 38.000 0.014 0.000 1.058 2425 I HN 0.352 8.492 8.210 0.063 0.107 0.410 2426 S N 0.700 116.408 115.700 0.013 0.000 2.359 2426 S HA -0.362 4.107 4.470 -0.001 0.000 0.224 2426 S C 2.210 176.816 174.600 0.010 0.000 1.035 2426 S CA 4.348 62.553 58.200 0.007 0.000 1.018 2426 S CB -0.430 62.776 63.200 0.010 0.000 0.876 2426 S HN 0.052 8.374 8.310 0.020 0.000 0.448 2427 S N 2.471 118.181 115.700 0.017 0.000 2.402 2427 S HA -0.272 4.205 4.470 0.012 0.000 0.229 2427 S C 1.507 176.114 174.600 0.011 0.000 1.021 2427 S CA 3.814 62.023 58.200 0.015 0.000 0.974 2427 S CB -0.294 62.918 63.200 0.020 0.000 0.800 2427 S HN -0.118 8.206 8.310 0.023 0.000 0.484 2428 A N 2.214 125.042 122.820 0.013 0.000 1.930 2428 A HA -0.282 4.042 4.320 0.007 0.000 0.217 2428 A C 1.448 179.035 177.584 0.004 0.000 1.175 2428 A CA 3.004 55.046 52.037 0.009 0.000 0.627 2428 A CB -0.776 18.232 19.000 0.014 0.000 0.815 2428 A HN 0.024 8.075 8.150 0.018 0.110 0.443 2429 K N -1.979 118.422 120.400 0.003 0.000 2.148 2429 K HA -0.319 4.000 4.320 -0.002 0.000 0.204 2429 K C 2.886 179.485 176.600 -0.001 0.000 1.050 2429 K CA 3.357 59.644 56.287 -0.001 0.000 0.942 2429 K CB -0.236 32.261 32.500 -0.005 0.000 0.724 2429 K HN -0.167 8.086 8.250 0.004 0.000 0.446 2430 Q N -0.978 118.823 119.800 0.001 0.000 2.083 2430 Q HA -0.211 4.128 4.340 -0.001 0.000 0.198 2430 Q C 2.519 178.519 176.000 -0.001 0.000 0.969 2430 Q CA 2.479 58.282 55.803 0.000 0.000 0.838 2430 Q CB -0.281 28.458 28.738 0.002 0.000 0.900 2430 Q HN -0.450 7.713 8.270 0.002 0.109 0.436 2431 V N 1.685 121.599 119.914 0.000 0.000 2.233 2431 V HA -0.520 3.599 4.120 -0.003 0.000 0.247 2431 V C 2.299 178.391 176.094 -0.002 0.000 1.050 2431 V CA 4.257 66.556 62.300 -0.001 0.000 1.010 2431 V CB -0.322 31.500 31.823 -0.001 0.000 0.637 2431 V HN 0.600 8.610 8.190 0.002 0.182 0.444 2432 A N -0.807 122.012 122.820 -0.001 0.000 1.883 2432 A HA -0.352 3.967 4.320 -0.001 0.000 0.217 2432 A C 1.495 179.078 177.584 -0.001 0.000 1.186 2432 A CA 3.183 55.219 52.037 -0.001 0.000 0.624 2432 A CB -0.853 18.147 19.000 -0.001 0.000 0.822 2432 A HN 0.246 8.396 8.150 -0.000 0.000 0.444 2433 A N -2.319 120.500 122.820 -0.002 0.000 1.873 2433 A HA -0.275 4.045 4.320 -0.001 0.000 0.215 2433 A C 2.357 179.940 177.584 -0.002 0.000 1.186 2433 A CA 2.959 54.995 52.037 -0.002 0.000 0.616 2433 A CB -0.591 18.408 19.000 -0.002 0.000 0.823 2433 A HN -0.087 8.062 8.150 -0.002 0.000 0.442 2434 S N -1.015 114.683 115.700 -0.004 0.000 2.356 2434 S HA -0.324 4.141 4.470 -0.007 0.000 0.223 2434 S C 2.049 176.644 174.600 -0.008 0.000 1.032 2434 S CA 4.057 62.253 58.200 -0.007 0.000 1.005 2434 S CB 0.089 63.284 63.200 -0.008 0.000 0.867 2434 S HN 0.148 8.345 8.310 -0.003 0.111 0.449 2435 T N 4.410 118.960 114.554 -0.007 0.000 2.777 2435 T HA -0.384 3.960 4.350 -0.011 0.000 0.266 2435 T C 1.581 176.279 174.700 -0.004 0.000 1.040 2435 T CA 4.611 66.707 62.100 -0.007 0.000 1.141 2435 T CB -0.010 68.854 68.868 -0.006 0.000 0.868 2435 T HN 0.136 8.265 8.240 -0.006 0.108 0.444 2436 A N -0.098 122.721 122.820 -0.001 0.000 2.067 2436 A HA -0.299 4.024 4.320 0.004 0.000 0.219 2436 A C 1.393 178.980 177.584 0.005 0.000 1.158 2436 A CA 2.525 54.564 52.037 0.003 0.000 0.661 2436 A CB -0.842 18.160 19.000 0.003 0.000 0.801 2436 A HN -0.045 8.104 8.150 -0.001 0.000 0.452 2437 Q N -1.712 118.089 119.800 0.002 0.000 2.311 2437 Q HA -0.190 4.156 4.340 0.010 0.000 0.203 2437 Q C 1.799 177.800 176.000 0.002 0.000 0.954 2437 Q CA 2.331 58.136 55.803 0.004 0.000 0.885 2437 Q CB 0.160 28.898 28.738 0.001 0.000 0.963 2437 Q HN -0.507 7.630 8.270 -0.001 0.133 0.471 2438 L N -0.087 121.132 121.223 -0.006 0.000 2.191 2438 L HA -0.246 4.077 4.340 -0.029 0.000 0.212 2438 L C 1.155 178.025 176.870 0.001 0.000 1.103 2438 L CA 2.982 57.812 54.840 -0.016 0.000 0.769 2438 L CB -0.383 41.662 42.059 -0.024 0.000 0.908 2438 L HN -0.531 7.553 8.230 -0.007 0.142 0.438 2439 L N -3.335 117.896 121.223 0.013 0.000 2.093 2439 L HA -0.336 4.025 4.340 0.035 0.000 0.208 2439 L C 1.828 178.726 176.870 0.047 0.000 1.085 2439 L CA 3.695 58.553 54.840 0.030 0.000 0.755 2439 L CB -0.569 41.504 42.059 0.024 0.000 0.904 2439 L HN -0.831 7.280 8.230 0.008 0.124 0.435 2440 V N -1.034 118.903 119.914 0.039 0.000 2.490 2440 V HA -0.635 3.515 4.120 0.050 0.000 0.250 2440 V C 1.852 177.995 176.094 0.082 0.000 1.061 2440 V CA 4.206 66.536 62.300 0.050 0.000 1.064 2440 V CB -0.473 31.371 31.823 0.035 0.000 0.670 2440 V HN -0.739 7.356 8.190 0.026 0.111 0.461 2441 A N -0.960 121.905 122.820 0.074 0.000 1.930 2441 A HA -0.192 4.216 4.320 0.146 0.000 0.217 2441 A C 1.510 179.253 177.584 0.264 0.000 1.175 2441 A CA 3.121 55.226 52.037 0.112 0.000 0.627 2441 A CB -0.773 18.216 19.000 -0.019 0.000 0.815 2441 A HN -0.272 7.803 8.150 0.041 0.100 0.443 2442 C N -3.218 116.198 119.300 0.192 0.000 2.464 2442 C HA -0.213 4.533 4.460 0.476 0.000 0.278 2442 C C 1.403 176.525 174.990 0.219 0.000 1.375 2442 C CA 3.167 62.348 59.018 0.272 0.000 1.761 2442 C CB -0.240 27.593 27.740 0.155 0.000 1.944 2442 C HN -0.570 7.624 8.230 0.108 0.101 0.509 2443 K N -1.829 118.657 120.400 0.144 0.000 2.360 2443 K HA -0.212 4.149 4.320 0.068 0.000 0.201 2443 K C -0.375 176.272 176.600 0.078 0.000 1.046 2443 K CA 1.719 58.059 56.287 0.088 0.000 0.945 2443 K CB 0.053 32.590 32.500 0.062 0.000 0.750 2443 K HN -0.311 7.908 8.250 0.127 0.107 0.464 2444 V N -0.705 119.298 119.914 0.148 0.000 2.498 2444 V HA -0.081 4.045 4.120 0.010 0.000 0.279 2444 V C 0.568 176.582 176.094 -0.133 0.000 1.048 2444 V CA 0.424 62.770 62.300 0.077 0.000 0.967 2444 V CB 0.031 31.984 31.823 0.216 0.000 0.988 2444 V HN -0.721 7.440 8.190 0.239 0.173 0.473 2445 K N 2.431 122.657 120.400 -0.289 0.000 3.695 2445 K HA -0.392 3.701 4.320 -0.379 0.000 0.416 2445 K C -1.050 175.377 176.600 -0.289 0.000 0.459 2445 K CA 2.550 58.552 56.287 -0.474 0.000 1.825 2445 K CB -1.359 30.457 32.500 -1.141 0.000 0.891 2445 K HN 0.674 8.813 8.250 -0.185 0.000 0.469 2446 A N -0.142 122.577 122.820 -0.168 0.000 2.286 2446 A HA 0.028 4.290 4.320 -0.096 0.000 0.286 2446 A C -1.025 176.537 177.584 -0.037 0.000 1.097 2446 A CA -0.421 51.575 52.037 -0.068 0.000 0.821 2446 A CB 1.145 20.164 19.000 0.031 0.000 1.076 2446 A HN -0.414 7.555 8.150 -0.117 0.110 0.490 2447 D N -0.527 119.857 120.400 -0.026 0.000 2.210 2447 D HA -0.011 4.618 4.640 -0.019 0.000 0.249 2447 D C 0.234 176.535 176.300 0.001 0.000 1.062 2447 D CA -0.700 53.291 54.000 -0.016 0.000 0.891 2447 D CB 1.485 42.273 40.800 -0.020 0.000 1.186 2447 D HN 0.078 8.432 8.370 -0.027 0.000 0.432 2448 Q N 0.572 120.374 119.800 0.003 0.000 2.230 2448 Q HA -0.278 4.072 4.340 0.018 0.000 0.202 2448 Q C -0.225 175.780 176.000 0.009 0.000 0.963 2448 Q CA 2.164 57.974 55.803 0.011 0.000 0.866 2448 Q CB 0.084 28.827 28.738 0.009 0.000 0.931 2448 Q HN 0.433 8.702 8.270 -0.002 0.000 0.452 2449 D N -7.425 112.978 120.400 0.004 0.000 2.349 2449 D HA -0.120 4.523 4.640 0.005 0.000 0.224 2449 D C 0.159 176.462 176.300 0.005 0.000 1.029 2449 D CA -0.191 53.811 54.000 0.004 0.000 0.879 2449 D CB -0.468 40.332 40.800 0.000 0.000 0.906 2449 D HN -0.105 8.238 8.370 0.001 0.028 0.528 2450 S N 0.863 116.567 115.700 0.006 0.000 2.568 2450 S HA -0.153 4.320 4.470 0.005 0.000 0.282 2450 S C 0.941 175.548 174.600 0.011 0.000 1.338 2450 S CA 1.190 59.395 58.200 0.008 0.000 1.045 2450 S CB 1.135 64.342 63.200 0.011 0.000 0.873 2450 S HN -0.860 7.386 8.310 0.006 0.068 0.516 2451 E N 6.287 126.494 120.200 0.011 0.000 2.106 2451 E HA -0.363 3.993 4.350 0.010 0.000 0.192 2451 E C 1.445 178.054 176.600 0.015 0.000 0.984 2451 E CA 4.000 60.407 56.400 0.011 0.000 0.806 2451 E CB -0.267 29.438 29.700 0.009 0.000 0.750 2451 E HN 0.660 9.025 8.360 0.009 0.000 0.458 2452 A N 0.214 123.045 122.820 0.019 0.000 1.972 2452 A HA -0.230 4.104 4.320 0.022 0.000 0.219 2452 A C 2.274 179.875 177.584 0.029 0.000 1.169 2452 A CA 2.905 54.956 52.037 0.025 0.000 0.635 2452 A CB -1.222 17.797 19.000 0.031 0.000 0.810 2452 A HN 0.208 8.369 8.150 0.018 0.000 0.446 2453 M N -2.780 116.837 119.600 0.029 0.000 2.388 2453 M HA -0.146 4.358 4.480 0.039 0.000 0.265 2453 M C 1.731 178.044 176.300 0.023 0.000 1.088 2453 M CA 1.031 56.349 55.300 0.031 0.000 1.134 2453 M CB -1.088 31.531 32.600 0.031 0.000 1.384 2453 M HN -0.240 7.941 8.290 0.025 0.124 0.447 2454 K N 1.313 121.724 120.400 0.018 0.000 2.026 2454 K HA -0.303 4.024 4.320 0.013 0.000 0.208 2454 K C 2.459 179.067 176.600 0.013 0.000 1.048 2454 K CA 3.335 59.630 56.287 0.014 0.000 0.929 2454 K CB -0.422 32.084 32.500 0.011 0.000 0.713 2454 K HN 0.371 8.429 8.250 0.017 0.202 0.439 2455 R N -1.064 119.444 120.500 0.014 0.000 2.092 2455 R HA -0.195 4.151 4.340 0.010 0.000 0.231 2455 R C 2.222 178.530 176.300 0.014 0.000 1.119 2455 R CA 2.184 58.291 56.100 0.012 0.000 0.970 2455 R CB -0.566 29.742 30.300 0.012 0.000 0.864 2455 R HN -0.331 7.948 8.270 0.015 0.000 0.440 2456 L N 0.106 121.340 121.223 0.018 0.000 1.989 2456 L HA -0.384 3.966 4.340 0.017 0.000 0.211 2456 L C 1.600 178.480 176.870 0.018 0.000 1.071 2456 L CA 3.386 58.239 54.840 0.021 0.000 0.749 2456 L CB -0.430 41.648 42.059 0.031 0.000 0.890 2456 L HN -0.412 7.752 8.230 0.021 0.078 0.431 2457 Q N -1.039 118.773 119.800 0.019 0.000 2.096 2457 Q HA -0.415 3.936 4.340 0.018 0.000 0.204 2457 Q C 2.084 178.091 176.000 0.012 0.000 0.982 2457 Q CA 2.804 58.617 55.803 0.016 0.000 0.850 2457 Q CB -0.513 28.235 28.738 0.016 0.000 0.901 2457 Q HN 0.596 8.760 8.270 0.020 0.118 0.422 2458 A N -1.545 121.281 122.820 0.010 0.000 1.930 2458 A HA -0.246 4.078 4.320 0.007 0.000 0.217 2458 A C 1.926 179.514 177.584 0.006 0.000 1.175 2458 A CA 2.706 54.748 52.037 0.007 0.000 0.627 2458 A CB -0.977 18.027 19.000 0.007 0.000 0.815 2458 A HN -0.509 7.648 8.150 0.011 0.000 0.443 2459 A N -1.748 121.076 122.820 0.007 0.000 1.898 2459 A HA -0.257 4.064 4.320 0.003 0.000 0.216 2459 A C 2.284 179.870 177.584 0.004 0.000 1.181 2459 A CA 2.995 55.035 52.037 0.005 0.000 0.620 2459 A CB -0.584 18.419 19.000 0.005 0.000 0.819 2459 A HN -0.035 8.120 8.150 0.008 0.000 0.442 2460 G N -2.209 106.594 108.800 0.006 0.000 2.422 2460 G HA2 -0.421 3.541 3.960 0.003 0.000 0.218 2460 G HA3 -0.421 3.543 3.960 0.007 0.000 0.218 2460 G C 1.123 176.025 174.900 0.004 0.000 1.146 2460 G CA 1.793 46.896 45.100 0.005 0.000 0.769 2460 G HN 0.078 8.373 8.290 0.008 0.000 0.547 2461 N N 2.078 120.781 118.700 0.005 0.000 2.120 2461 N HA -0.270 4.473 4.740 0.004 0.000 0.188 2461 N C 1.803 177.315 175.510 0.003 0.000 1.024 2461 N CA 2.731 55.784 53.050 0.004 0.000 0.852 2461 N CB -0.175 38.315 38.487 0.005 0.000 1.003 2461 N HN -0.285 8.089 8.380 0.006 0.010 0.424 2462 A N -0.128 122.693 122.820 0.002 0.000 1.940 2462 A HA -0.242 4.078 4.320 0.001 0.000 0.219 2462 A C 2.222 179.806 177.584 -0.000 0.000 1.176 2462 A CA 3.057 55.094 52.037 0.001 0.000 0.631 2462 A CB -0.797 18.203 19.000 0.001 0.000 0.814 2462 A HN -0.087 7.991 8.150 0.003 0.074 0.446 2463 V N -0.738 119.176 119.914 -0.000 0.000 2.261 2463 V HA -0.536 3.583 4.120 -0.003 0.000 0.246 2463 V C 2.214 178.308 176.094 -0.001 0.000 1.047 2463 V CA 4.196 66.495 62.300 -0.001 0.000 1.015 2463 V CB -1.184 30.637 31.823 -0.002 0.000 0.642 2463 V HN -0.359 7.720 8.190 0.001 0.111 0.446 2464 K N 0.133 120.534 120.400 0.000 0.000 2.057 2464 K HA -0.308 4.012 4.320 0.000 0.000 0.207 2464 K C 1.937 178.537 176.600 0.001 0.000 1.049 2464 K CA 2.824 59.111 56.287 0.001 0.000 0.931 2464 K CB -0.443 32.057 32.500 0.001 0.000 0.714 2464 K HN -0.598 7.653 8.250 0.001 0.000 0.440 2465 R N -1.084 119.417 120.500 0.001 0.000 2.073 2465 R HA -0.316 4.025 4.340 0.002 0.000 0.234 2465 R C 2.110 178.411 176.300 0.001 0.000 1.134 2465 R CA 3.396 59.497 56.100 0.002 0.000 0.952 2465 R CB -0.055 30.246 30.300 0.002 0.000 0.850 2465 R HN 0.044 8.315 8.270 0.001 0.000 0.433 2466 A N -1.965 120.855 122.820 -0.000 0.000 1.930 2466 A HA -0.195 4.124 4.320 -0.002 0.000 0.217 2466 A C 2.301 179.885 177.584 -0.001 0.000 1.175 2466 A CA 3.121 55.157 52.037 -0.002 0.000 0.627 2466 A CB -0.830 18.167 19.000 -0.005 0.000 0.815 2466 A HN 0.479 8.516 8.150 -0.000 0.114 0.443 2467 S N -1.086 114.614 115.700 0.000 0.000 2.368 2467 S HA -0.386 4.085 4.470 0.002 0.000 0.224 2467 S C 1.901 176.504 174.600 0.006 0.000 1.029 2467 S CA 4.769 62.970 58.200 0.003 0.000 0.988 2467 S CB -0.435 62.766 63.200 0.002 0.000 0.838 2467 S HN 0.135 8.340 8.310 -0.000 0.105 0.462 2468 D N 1.521 121.924 120.400 0.005 0.000 2.092 2468 D HA -0.354 4.289 4.640 0.005 0.000 0.193 2468 D C 1.936 178.244 176.300 0.012 0.000 0.994 2468 D CA 3.598 57.602 54.000 0.006 0.000 0.828 2468 D CB 0.191 40.994 40.800 0.004 0.000 0.963 2468 D HN 0.027 8.399 8.370 0.003 0.000 0.450 2469 N N 0.148 118.854 118.700 0.011 0.000 2.104 2469 N HA -0.280 4.471 4.740 0.018 0.000 0.190 2469 N C 2.310 177.833 175.510 0.023 0.000 1.024 2469 N CA 2.824 55.883 53.050 0.015 0.000 0.853 2469 N CB -0.035 38.457 38.487 0.008 0.000 1.008 2469 N HN -0.332 8.052 8.380 0.007 0.000 0.424 2470 L N 0.074 121.307 121.223 0.016 0.000 2.046 2470 L HA -0.278 4.070 4.340 0.013 0.000 0.208 2470 L C 1.785 178.687 176.870 0.054 0.000 1.077 2470 L CA 3.359 58.212 54.840 0.022 0.000 0.747 2470 L CB -0.192 41.870 42.059 0.006 0.000 0.896 2470 L HN 0.077 8.136 8.230 0.009 0.177 0.432 2471 V N 0.264 120.203 119.914 0.041 0.000 2.261 2471 V HA -0.622 3.532 4.120 0.056 0.000 0.246 2471 V C 1.903 178.031 176.094 0.056 0.000 1.047 2471 V CA 5.062 67.389 62.300 0.044 0.000 1.015 2471 V CB -0.540 31.294 31.823 0.018 0.000 0.642 2471 V HN 0.352 8.378 8.190 0.026 0.179 0.446 2472 K N -0.089 120.338 120.400 0.045 0.000 2.044 2472 K HA -0.348 4.231 4.320 0.038 -0.237 0.210 2472 K C 2.346 178.995 176.600 0.081 0.000 1.049 2472 K CA 2.630 58.946 56.287 0.048 0.000 0.927 2472 K CB -0.396 32.125 32.500 0.035 0.000 0.713 2472 K HN 0.237 8.395 8.250 0.033 0.113 0.443 2473 A N -2.552 120.330 122.820 0.104 0.000 1.930 2473 A HA -0.241 4.166 4.320 0.145 0.000 0.217 2473 A C 1.974 179.738 177.584 0.299 0.000 1.175 2473 A CA 2.765 54.904 52.037 0.170 0.000 0.627 2473 A CB -0.510 18.569 19.000 0.131 0.000 0.815 2473 A HN 0.177 8.267 8.150 0.080 0.108 0.443 2474 A N -2.261 120.737 122.820 0.297 0.000 1.933 2474 A HA -0.324 4.381 4.320 0.642 0.000 0.218 2474 A C 2.785 180.434 177.584 0.108 0.000 1.175 2474 A CA 2.608 54.837 52.037 0.320 0.000 0.628 2474 A CB -0.769 18.372 19.000 0.234 0.000 0.814 2474 A HN -0.087 8.109 8.150 0.207 0.079 0.444 2475 Q N -2.703 117.158 119.800 0.102 0.000 2.226 2475 Q HA -0.304 4.116 4.340 0.133 0.000 0.204 2475 Q C 2.488 178.526 176.000 0.063 0.000 0.975 2475 Q CA 2.682 58.540 55.803 0.091 0.000 0.866 2475 Q CB -0.301 28.477 28.738 0.066 0.000 0.915 2475 Q HN -0.086 8.142 8.270 0.108 0.106 0.440 2476 K N -2.253 118.176 120.400 0.047 0.000 2.155 2476 K HA -0.180 4.154 4.320 0.023 0.000 0.203 2476 K C 0.803 177.354 176.600 -0.081 0.000 1.052 2476 K CA 1.753 58.051 56.287 0.018 0.000 0.948 2476 K CB -0.004 32.539 32.500 0.071 0.000 0.728 2476 K HN -0.434 7.700 8.250 0.087 0.168 0.448 2477 A N -2.928 119.752 122.820 -0.235 0.000 2.370 2477 A HA 0.115 4.229 4.320 -0.343 0.000 0.238 2477 A C -1.151 176.237 177.584 -0.327 0.000 1.289 2477 A CA -0.376 51.376 52.037 -0.474 0.000 0.885 2477 A CB 0.342 18.529 19.000 -1.356 0.000 0.961 2477 A HN -0.576 7.316 8.150 -0.197 0.140 0.499 2478 A N -1.085 121.639 122.820 -0.159 0.000 2.401 2478 A HA 0.264 4.453 4.320 -0.219 0.000 0.310 2478 A C -1.393 176.098 177.584 -0.156 0.000 1.075 2478 A CA -0.783 51.175 52.037 -0.132 0.000 0.746 2478 A CB 2.337 21.407 19.000 0.117 0.000 1.277 2478 A HN -0.764 7.129 8.150 -0.095 0.200 0.425 2479 A N 2.828 125.433 122.820 -0.358 0.000 2.736 2479 A HA 0.236 4.463 4.320 -0.155 0.000 0.335 2479 A C -1.302 175.990 177.584 -0.487 0.000 1.446 2479 A CA -0.531 51.322 52.037 -0.308 0.000 1.028 2479 A CB -0.671 18.176 19.000 -0.254 0.000 1.154 2479 A HN 0.317 8.192 8.150 -0.459 0.000 0.507 2480 F N 3.548 123.476 119.950 -0.036 0.000 2.366 2480 F HA 0.060 4.571 4.527 -0.026 0.000 0.357 2480 F C -0.631 175.156 175.800 -0.021 0.000 1.107 2480 F CA -0.964 57.020 58.000 -0.027 0.000 1.208 2480 F CB 0.565 39.550 39.000 -0.025 0.000 1.464 2480 F HN -0.075 8.271 8.300 0.076 0.000 0.501 2481 E N 4.443 124.696 120.200 0.089 0.000 2.029 2481 E HA -0.054 4.328 4.350 0.053 0.000 0.276 2481 E C -0.601 176.039 176.600 0.067 0.000 1.163 2481 E CA 0.149 56.582 56.400 0.055 0.000 0.909 2481 E CB -0.064 29.644 29.700 0.013 0.000 1.046 2481 E HN 0.365 8.742 8.360 0.028 0.000 0.406 2482 D N 0.000 120.439 120.400 0.065 0.000 6.856 2482 D HA 0.000 4.665 4.640 0.042 0.000 0.175 2482 D CA 0.000 54.028 54.000 0.047 0.000 0.868 2482 D CB 0.000 40.830 40.800 0.049 0.000 0.688 2482 D HN 0.000 8.410 8.370 0.066 0.000 0.683