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 1ozt_1_L DATA FIRST_RESID 1 DATA SEQUENCE ATKAVCVLKG DGPVQGIINF EQKESNGPVK VWGSIKGLTE GLHGFRVHEF DATA SEQUENCE GDNTAGcTSA GPHFNPXXXX XXXXXXXXRH VGDLGNVTAD KDGVADVSIE DATA SEQUENCE DSVISLSGDH CIIGRTLVVH EKADDLXXXX XXXXXXXGNA GSRLAcGVIG DATA SEQUENCE IAQ 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 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 1 A C 0.000 177.619 177.584 0.059 0.000 1.274 1 A CA 0.000 52.068 52.037 0.051 0.000 0.836 1 A CB 0.000 19.029 19.000 0.048 0.000 0.831 2 T N 1.678 116.268 114.554 0.060 0.000 2.899 2 T HA 0.521 4.871 4.350 -0.000 0.000 0.295 2 T C 0.111 174.866 174.700 0.091 0.000 1.033 2 T CA 0.073 62.209 62.100 0.059 0.000 1.084 2 T CB 0.900 69.793 68.868 0.041 0.000 0.979 2 T HN 0.574 8.814 8.240 -0.000 0.000 0.532 3 K N 0.234 120.687 120.400 0.088 0.000 2.477 3 K HA 0.790 5.110 4.320 -0.000 0.000 0.255 3 K C -1.046 175.608 176.600 0.089 0.000 0.952 3 K CA -1.013 55.349 56.287 0.124 0.000 0.826 3 K CB 2.568 35.146 32.500 0.130 0.000 1.331 3 K HN 0.688 8.938 8.250 -0.000 0.000 0.437 4 A N 0.764 123.659 122.820 0.123 0.000 2.594 4 A HA 0.817 5.137 4.320 -0.000 0.000 0.291 4 A C -1.756 175.931 177.584 0.172 0.000 1.105 4 A CA -0.705 51.377 52.037 0.075 0.000 0.694 4 A CB 1.999 20.954 19.000 -0.075 0.000 1.291 4 A HN 0.400 8.550 8.150 -0.000 0.000 0.410 5 V N -0.846 119.138 119.914 0.118 0.000 3.188 5 V HA 0.771 4.891 4.120 -0.000 0.000 0.305 5 V C -1.484 174.681 176.094 0.119 0.000 1.232 5 V CA -0.203 62.168 62.300 0.119 0.000 1.043 5 V CB 1.976 33.810 31.823 0.018 0.000 1.068 5 V HN 1.868 10.058 8.190 -0.000 0.000 0.439 6 C N 3.934 123.300 119.300 0.109 0.000 2.752 6 C HA 0.746 5.206 4.460 -0.000 0.000 0.360 6 C C -1.059 173.954 174.990 0.039 0.000 1.081 6 C CA -0.332 58.739 59.018 0.090 0.000 1.272 6 C CB 0.745 28.595 27.740 0.184 0.000 1.754 6 C HN 0.836 9.066 8.230 -0.000 0.000 0.483 7 V N 7.178 127.104 119.914 0.019 0.000 2.370 7 V HA 0.426 4.546 4.120 -0.000 0.000 0.279 7 V C -0.285 175.814 176.094 0.008 0.000 1.029 7 V CA -0.491 61.812 62.300 0.006 0.000 0.870 7 V CB 1.297 33.119 31.823 -0.002 0.000 0.984 7 V HN 0.664 8.854 8.190 -0.000 0.000 0.451 8 L N 5.979 127.208 121.223 0.010 0.000 2.276 8 L HA 0.608 4.948 4.340 -0.000 0.000 0.286 8 L C 0.110 176.975 176.870 -0.009 0.000 1.061 8 L CA 0.166 55.011 54.840 0.007 0.000 0.807 8 L CB 0.843 42.917 42.059 0.025 0.000 1.177 8 L HN 0.671 8.901 8.230 -0.000 0.000 0.429 9 K N 1.173 121.563 120.400 -0.017 0.000 2.536 9 K HA 0.829 5.149 4.320 -0.000 0.000 0.269 9 K C -0.364 176.217 176.600 -0.032 0.000 0.965 9 K CA -0.786 55.488 56.287 -0.023 0.000 0.860 9 K CB 2.986 35.475 32.500 -0.019 0.000 1.423 9 K HN 0.753 9.002 8.250 -0.000 0.000 0.438 10 G N -0.249 108.532 108.800 -0.032 0.000 2.731 10 G HA2 0.149 4.109 3.960 -0.000 0.000 0.309 10 G HA3 0.149 4.109 3.960 -0.000 0.000 0.309 10 G C -0.783 174.100 174.900 -0.028 0.000 1.273 10 G CA -0.435 44.643 45.100 -0.036 0.000 0.798 10 G HN 0.509 8.799 8.290 -0.000 0.000 0.509 11 D N -0.210 120.174 120.400 -0.027 0.000 2.323 11 D HA 0.140 4.780 4.640 -0.000 0.000 0.209 11 D C 1.530 177.820 176.300 -0.018 0.000 0.973 11 D CA 0.983 54.971 54.000 -0.020 0.000 0.874 11 D CB 0.567 41.356 40.800 -0.017 0.000 0.930 11 D HN 0.426 8.796 8.370 -0.000 0.000 0.521 12 G N 1.219 110.006 108.800 -0.021 0.000 2.641 12 G HA2 0.279 4.239 3.960 -0.000 0.000 0.239 12 G HA3 0.279 4.239 3.960 -0.000 0.000 0.239 12 G C -1.611 173.276 174.900 -0.021 0.000 1.402 12 G CA -0.486 44.603 45.100 -0.019 0.000 1.046 12 G HN -0.079 8.211 8.290 -0.000 0.000 0.565 13 P HA 0.155 4.575 4.420 -0.000 0.000 0.255 13 P C 0.117 177.399 177.300 -0.031 0.000 1.248 13 P CA -0.064 63.023 63.100 -0.022 0.000 0.807 13 P CB 0.367 32.056 31.700 -0.018 0.000 1.150 14 V N 2.755 122.644 119.914 -0.041 0.000 2.521 14 V HA 0.105 4.225 4.120 -0.000 0.000 0.286 14 V C 0.484 176.554 176.094 -0.041 0.000 1.034 14 V CA 0.527 62.794 62.300 -0.055 0.000 1.045 14 V CB 0.032 31.808 31.823 -0.078 0.000 0.974 14 V HN 0.340 8.530 8.190 -0.000 0.000 0.480 15 Q N 3.865 123.643 119.800 -0.037 0.000 2.527 15 Q HA 0.807 5.147 4.340 -0.000 0.000 0.280 15 Q C -0.592 175.394 176.000 -0.023 0.000 0.977 15 Q CA -0.782 55.006 55.803 -0.025 0.000 0.837 15 Q CB 2.456 31.181 28.738 -0.021 0.000 1.454 15 Q HN 0.817 9.087 8.270 -0.000 0.000 0.387 16 G N 0.694 109.486 108.800 -0.015 0.000 2.488 16 G HA2 0.598 4.558 3.960 -0.000 0.000 0.301 16 G HA3 0.598 4.558 3.960 -0.000 0.000 0.301 16 G C -1.816 173.074 174.900 -0.017 0.000 1.339 16 G CA -0.809 44.280 45.100 -0.018 0.000 0.803 16 G HN 0.568 8.858 8.290 -0.000 0.000 0.482 17 I N 0.615 121.164 120.570 -0.035 0.000 2.569 17 I HA 0.452 4.622 4.170 -0.000 0.000 0.290 17 I C -1.007 175.041 176.117 -0.116 0.000 1.088 17 I CA -0.816 60.450 61.300 -0.056 0.000 1.047 17 I CB 2.109 40.074 38.000 -0.059 0.000 1.237 17 I HN 0.179 8.389 8.210 -0.000 0.000 0.421 18 I N 5.172 125.658 120.570 -0.139 0.000 2.569 18 I HA 0.454 4.624 4.170 -0.000 0.000 0.296 18 I C -0.532 175.306 176.117 -0.464 0.000 1.028 18 I CA -0.671 60.450 61.300 -0.298 0.000 1.082 18 I CB 2.033 39.936 38.000 -0.162 0.000 1.264 18 I HN 0.551 8.761 8.210 -0.000 0.000 0.429 19 N N 4.542 122.701 118.700 -0.902 0.000 2.292 19 N HA 0.640 5.380 4.740 -0.000 0.000 0.303 19 N C -1.461 173.425 175.510 -1.040 0.000 1.140 19 N CA -0.335 52.121 53.050 -0.991 0.000 0.788 19 N CB 2.676 40.120 38.487 -1.737 0.000 1.361 19 N HN 0.221 8.601 8.380 -0.000 0.000 0.489 20 F N 0.174 119.915 119.950 -0.349 0.000 2.565 20 F HA 0.408 4.935 4.527 -0.000 0.000 0.313 20 F C 0.267 176.124 175.800 0.095 0.000 1.091 20 F CA -0.719 57.246 58.000 -0.058 0.000 0.915 20 F CB 2.190 41.178 39.000 -0.020 0.000 1.208 20 F HN 0.328 8.628 8.300 -0.000 0.000 0.453 21 E N 2.196 122.649 120.200 0.423 0.000 2.291 21 E HA 0.259 4.609 4.350 -0.000 0.000 0.276 21 E C -1.818 174.933 176.600 0.253 0.000 0.896 21 E CA -0.618 55.992 56.400 0.350 0.000 0.774 21 E CB 1.884 31.852 29.700 0.447 0.000 1.227 21 E HN 0.745 9.105 8.360 -0.000 0.000 0.413 22 Q N 5.099 125.006 119.800 0.179 0.000 2.490 22 Q HA 0.263 4.603 4.340 -0.000 0.000 0.255 22 Q C -0.191 175.867 176.000 0.096 0.000 0.997 22 Q CA -0.362 55.520 55.803 0.132 0.000 0.709 22 Q CB 0.929 29.737 28.738 0.117 0.000 1.255 22 Q HN 0.542 8.812 8.270 -0.000 0.000 0.486 23 K N 1.527 121.976 120.400 0.083 0.000 2.280 23 K HA -0.040 4.280 4.320 -0.000 0.000 0.202 23 K C -0.294 176.334 176.600 0.046 0.000 1.047 23 K CA 0.993 57.315 56.287 0.060 0.000 0.942 23 K CB 0.332 32.860 32.500 0.047 0.000 0.739 23 K HN 0.541 8.791 8.250 -0.000 0.000 0.457 24 E N -0.442 119.785 120.200 0.046 0.000 2.292 24 E HA 0.069 4.418 4.350 -0.000 0.000 0.272 24 E C -0.111 176.509 176.600 0.034 0.000 0.881 24 E CA -0.271 56.150 56.400 0.035 0.000 0.754 24 E CB 1.991 31.708 29.700 0.028 0.000 1.201 24 E HN -0.140 8.220 8.360 -0.000 0.000 0.425 25 S N 2.842 118.558 115.700 0.026 0.000 2.393 25 S HA -0.241 4.229 4.470 -0.000 0.000 0.234 25 S C 1.195 175.807 174.600 0.019 0.000 1.064 25 S CA 2.554 60.766 58.200 0.021 0.000 1.088 25 S CB -0.166 63.041 63.200 0.012 0.000 0.939 25 S HN 0.687 8.997 8.310 -0.000 0.000 0.448 26 N N 0.431 119.140 118.700 0.016 0.000 2.238 26 N HA 0.264 5.004 4.740 -0.000 0.000 0.222 26 N C 0.368 175.892 175.510 0.023 0.000 1.133 26 N CA 0.331 53.389 53.050 0.012 0.000 0.854 26 N CB -0.246 38.242 38.487 0.002 0.000 1.041 26 N HN 0.382 8.762 8.380 -0.000 0.000 0.510 27 G N 0.708 109.528 108.800 0.034 0.000 2.537 27 G HA2 0.564 4.524 3.960 -0.000 0.000 0.297 27 G HA3 0.564 4.524 3.960 -0.000 0.000 0.297 27 G C -2.807 172.129 174.900 0.059 0.000 1.310 27 G CA -1.278 43.847 45.100 0.042 0.000 1.027 27 G HN 0.078 8.368 8.290 -0.000 0.000 0.505 28 P HA 0.373 4.793 4.420 -0.000 0.000 0.274 28 P C -0.706 176.660 177.300 0.110 0.000 1.237 28 P CA -0.492 62.658 63.100 0.083 0.000 0.793 28 P CB 1.314 33.057 31.700 0.072 0.000 0.977 29 V N 2.148 122.147 119.914 0.141 0.000 2.417 29 V HA 0.283 4.403 4.120 -0.000 0.000 0.291 29 V C 0.273 176.494 176.094 0.212 0.000 1.024 29 V CA -0.580 61.837 62.300 0.194 0.000 0.861 29 V CB 1.222 33.186 31.823 0.236 0.000 0.985 29 V HN 0.406 8.596 8.190 -0.000 0.000 0.436 30 K N 3.287 123.835 120.400 0.246 0.000 2.227 30 K HA 0.631 4.951 4.320 -0.000 0.000 0.280 30 K C -0.753 176.059 176.600 0.353 0.000 1.041 30 K CA -0.393 56.058 56.287 0.275 0.000 0.905 30 K CB 2.010 34.659 32.500 0.249 0.000 1.068 30 K HN 0.540 8.790 8.250 -0.000 0.000 0.470 31 V N 4.101 124.161 119.914 0.244 0.000 2.531 31 V HA 0.755 4.875 4.120 -0.000 0.000 0.301 31 V C -1.817 174.366 176.094 0.149 0.000 1.034 31 V CA -0.423 61.861 62.300 -0.028 0.000 0.865 31 V CB 0.475 32.149 31.823 -0.249 0.000 0.995 31 V HN 0.925 9.115 8.190 -0.000 0.000 0.424 32 W N 4.592 125.787 121.300 -0.174 0.000 3.075 32 W HA 1.012 5.672 4.660 -0.000 0.000 0.334 32 W C -0.343 176.112 176.519 -0.107 0.000 1.243 32 W CA -0.289 56.990 57.345 -0.109 0.000 1.170 32 W CB 0.950 30.369 29.460 -0.068 0.000 1.452 32 W HN 1.342 9.522 8.180 -0.000 0.000 0.572 33 G N 0.726 109.501 108.800 -0.042 0.000 2.350 33 G HA2 0.527 4.487 3.960 -0.000 0.000 0.276 33 G HA3 0.527 4.487 3.960 -0.000 0.000 0.276 33 G C -1.130 173.748 174.900 -0.037 0.000 1.313 33 G CA -0.220 44.809 45.100 -0.117 0.000 0.903 33 G HN 1.730 10.020 8.290 -0.000 0.000 0.490 34 S N -1.373 114.296 115.700 -0.050 0.000 2.579 34 S HA 0.842 5.312 4.470 -0.000 0.000 0.272 34 S C -1.116 173.453 174.600 -0.051 0.000 1.141 34 S CA -0.793 57.380 58.200 -0.045 0.000 0.843 34 S CB 2.001 65.192 63.200 -0.015 0.000 1.122 34 S HN 1.082 9.392 8.310 -0.000 0.000 0.468 35 I N 1.615 122.149 120.570 -0.059 0.000 2.582 35 I HA 0.528 4.698 4.170 -0.000 0.000 0.292 35 I C -0.420 175.667 176.117 -0.050 0.000 1.066 35 I CA -0.743 60.525 61.300 -0.054 0.000 1.053 35 I CB 2.374 40.331 38.000 -0.071 0.000 1.241 35 I HN 0.904 9.114 8.210 -0.000 0.000 0.421 36 K N 2.862 123.236 120.400 -0.043 0.000 2.352 36 K HA 0.836 5.156 4.320 -0.000 0.000 0.240 36 K C 0.488 177.061 176.600 -0.045 0.000 1.017 36 K CA -0.474 55.790 56.287 -0.037 0.000 0.851 36 K CB 1.964 34.450 32.500 -0.023 0.000 1.261 36 K HN 0.744 8.994 8.250 -0.000 0.000 0.451 37 G N -0.056 108.722 108.800 -0.036 0.000 2.136 37 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.242 37 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.242 37 G C -0.634 174.232 174.900 -0.057 0.000 0.989 37 G CA 0.044 45.122 45.100 -0.037 0.000 0.682 37 G HN 0.271 8.561 8.290 -0.000 0.000 0.522 38 L N 1.597 122.777 121.223 -0.071 0.000 2.360 38 L HA 0.714 5.054 4.340 -0.000 0.000 0.271 38 L C 1.460 178.343 176.870 0.022 0.000 1.057 38 L CA -0.143 54.627 54.840 -0.118 0.000 0.803 38 L CB 1.241 43.181 42.059 -0.197 0.000 1.207 38 L HN 0.418 8.648 8.230 -0.000 0.000 0.445 39 T N -0.770 113.861 114.554 0.128 0.000 2.899 39 T HA 0.240 4.590 4.350 -0.000 0.000 0.295 39 T C 0.180 175.008 174.700 0.212 0.000 1.033 39 T CA -0.772 61.423 62.100 0.158 0.000 1.084 39 T CB 0.516 69.484 68.868 0.167 0.000 0.979 39 T HN 0.599 8.839 8.240 -0.000 0.000 0.532 40 E N 0.857 121.119 120.200 0.105 0.000 2.452 40 E HA 0.406 4.756 4.350 -0.000 0.000 0.261 40 E C 0.663 177.289 176.600 0.043 0.000 0.987 40 E CA 0.599 57.042 56.400 0.072 0.000 0.926 40 E CB -0.550 29.171 29.700 0.035 0.000 0.934 40 E HN 1.146 9.506 8.360 -0.000 0.000 0.452 41 G N 2.269 111.082 108.800 0.022 0.000 2.316 41 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.349 41 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.349 41 G C -1.591 173.232 174.900 -0.129 0.000 1.274 41 G CA -0.687 44.372 45.100 -0.068 0.000 1.018 41 G HN 0.483 8.773 8.290 -0.000 0.000 0.486 42 L N 1.707 122.806 121.223 -0.206 0.000 2.349 42 L HA 0.641 4.981 4.340 -0.000 0.000 0.275 42 L C 0.143 176.786 176.870 -0.379 0.000 1.115 42 L CA -0.259 54.474 54.840 -0.178 0.000 0.820 42 L CB 0.847 42.847 42.059 -0.099 0.000 1.135 42 L HN 0.611 8.841 8.230 -0.000 0.000 0.445 43 H N 2.028 121.122 119.070 0.041 0.000 2.782 43 H HA 0.333 4.889 4.556 -0.000 0.000 0.347 43 H C 0.046 175.460 175.328 0.144 0.000 1.038 43 H CA -0.739 55.362 56.048 0.088 0.000 1.255 43 H CB 1.780 31.588 29.762 0.077 0.000 1.623 43 H HN 0.720 9.000 8.280 -0.000 0.000 0.525 44 G N 1.951 110.923 108.800 0.286 0.000 2.353 44 G HA2 0.140 4.100 3.960 -0.000 0.000 0.239 44 G HA3 0.140 4.100 3.960 -0.000 0.000 0.239 44 G C -0.862 174.331 174.900 0.488 0.000 1.295 44 G CA 0.141 45.402 45.100 0.268 0.000 0.884 44 G HN 0.359 8.649 8.290 -0.000 0.000 0.537 45 F N 3.414 123.490 119.950 0.210 0.000 2.500 45 F HA 0.608 5.135 4.527 0.000 0.000 0.349 45 F C 0.233 176.162 175.800 0.215 0.000 1.127 45 F CA -1.181 56.950 58.000 0.219 0.000 0.998 45 F CB 1.149 40.232 39.000 0.138 0.000 1.237 45 F HN 0.487 8.787 8.300 -0.000 0.000 0.439 46 R N 3.513 124.081 120.500 0.113 0.000 2.799 46 R HA 0.725 5.065 4.340 -0.000 0.000 0.270 46 R C -1.790 174.549 176.300 0.065 0.000 1.010 46 R CA -1.353 54.784 56.100 0.062 0.000 0.916 46 R CB 2.378 32.775 30.300 0.162 0.000 1.228 46 R HN 0.267 8.537 8.270 -0.000 0.000 0.469 47 V N 2.353 122.278 119.914 0.018 0.000 2.394 47 V HA 0.285 4.405 4.120 -0.000 0.000 0.282 47 V C 0.006 176.136 176.094 0.060 0.000 1.031 47 V CA -0.485 61.845 62.300 0.050 0.000 0.881 47 V CB 1.048 32.871 31.823 -0.000 0.000 0.982 47 V HN 0.584 8.774 8.190 -0.000 0.000 0.451 48 H N 2.576 121.653 119.070 0.012 0.000 2.525 48 H HA 0.254 4.810 4.556 -0.000 0.000 0.340 48 H C 0.815 176.065 175.328 -0.130 0.000 1.168 48 H CA -0.446 55.612 56.048 0.018 0.000 1.247 48 H CB 2.294 32.075 29.762 0.033 0.000 1.568 48 H HN 0.749 9.029 8.280 -0.000 0.000 0.536 49 E N 1.665 121.772 120.200 -0.155 0.000 2.085 49 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 49 E C -0.470 175.714 176.600 -0.694 0.000 0.994 49 E CA 1.189 57.268 56.400 -0.535 0.000 0.801 49 E CB 0.225 29.415 29.700 -0.850 0.000 0.743 49 E HN 0.243 8.603 8.360 -0.000 0.000 0.453 50 F N -0.693 119.265 119.950 0.014 0.000 2.443 50 F HA 0.418 4.945 4.527 -0.000 0.000 0.335 50 F C 0.947 176.724 175.800 -0.038 0.000 1.104 50 F CA -0.846 57.139 58.000 -0.024 0.000 1.013 50 F CB 1.769 40.768 39.000 -0.003 0.000 1.136 50 F HN -0.147 8.153 8.300 -0.000 0.000 0.470 51 G N 1.426 110.304 108.800 0.130 0.000 3.581 51 G HA2 0.080 4.040 3.960 -0.000 0.000 0.255 51 G HA3 0.080 4.040 3.960 -0.000 0.000 0.255 51 G C -0.723 174.209 174.900 0.053 0.000 1.121 51 G CA -0.146 44.980 45.100 0.043 0.000 1.739 51 G HN 0.513 8.803 8.290 -0.000 0.000 0.646 52 D N 0.203 120.656 120.400 0.088 0.000 2.381 52 D HA 0.131 4.771 4.640 -0.000 0.000 0.235 52 D C 0.044 176.359 176.300 0.024 0.000 1.068 52 D CA -0.552 53.472 54.000 0.041 0.000 0.832 52 D CB 0.825 41.642 40.800 0.028 0.000 1.101 52 D HN 0.226 8.596 8.370 -0.000 0.000 0.515 53 N N 2.514 121.214 118.700 0.001 0.000 2.235 53 N HA -0.056 4.684 4.740 -0.000 0.000 0.231 53 N C 1.057 176.559 175.510 -0.013 0.000 1.177 53 N CA 0.045 53.090 53.050 -0.008 0.000 0.874 53 N CB 0.558 39.037 38.487 -0.014 0.000 1.097 53 N HN 0.419 8.799 8.380 -0.000 0.000 0.518 54 T N -2.234 112.311 114.554 -0.015 0.000 2.849 54 T HA -0.052 4.298 4.350 -0.000 0.000 0.270 54 T C 1.100 175.789 174.700 -0.017 0.000 1.066 54 T CA 1.082 63.171 62.100 -0.019 0.000 1.130 54 T CB -0.077 68.775 68.868 -0.026 0.000 0.864 54 T HN 0.180 8.420 8.240 -0.000 0.000 0.481 55 A N 0.596 123.407 122.820 -0.015 0.000 3.113 55 A HA 0.738 5.058 4.320 -0.000 0.000 0.307 55 A C 1.095 178.670 177.584 -0.016 0.000 1.025 55 A CA -0.064 51.965 52.037 -0.014 0.000 1.012 55 A CB -0.641 18.352 19.000 -0.012 0.000 1.085 55 A HN 1.201 9.351 8.150 -0.000 0.000 0.519 56 G N -0.664 108.124 108.800 -0.020 0.000 2.601 56 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.252 56 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.252 56 G C 0.952 175.830 174.900 -0.038 0.000 1.294 56 G CA -0.037 45.046 45.100 -0.028 0.000 0.912 56 G HN 0.938 9.228 8.290 -0.000 0.000 0.574 57 c N 0.354 118.919 118.600 -0.059 0.000 2.472 57 c HA 0.163 4.733 4.570 -0.000 0.000 0.278 57 c C 3.037 177.076 174.090 -0.085 0.000 1.447 57 c CA 1.559 57.831 56.329 -0.094 0.000 1.773 57 c CB -1.638 40.784 42.510 -0.147 0.000 1.793 57 c HN 0.826 9.056 8.230 -0.000 0.000 0.544 58 T N 1.582 116.110 114.554 -0.044 0.000 2.788 58 T HA -0.129 4.221 4.350 -0.000 0.000 0.268 58 T C 1.885 176.598 174.700 0.022 0.000 1.044 58 T CA 1.966 64.059 62.100 -0.013 0.000 1.139 58 T CB -0.285 68.582 68.868 -0.001 0.000 0.867 58 T HN 0.691 8.931 8.240 -0.000 0.000 0.454 59 S N 1.855 117.568 115.700 0.020 0.000 2.547 59 S HA 0.102 4.572 4.470 -0.000 0.000 0.235 59 S C 2.320 176.999 174.600 0.132 0.000 0.980 59 S CA 0.544 58.775 58.200 0.051 0.000 0.941 59 S CB -0.413 62.797 63.200 0.017 0.000 0.763 59 S HN 0.564 8.874 8.310 -0.000 0.000 0.532 60 A N 1.478 124.358 122.820 0.100 0.000 2.121 60 A HA 0.431 4.751 4.320 -0.000 0.000 0.218 60 A C 1.559 179.307 177.584 0.273 0.000 1.154 60 A CA 0.846 52.972 52.037 0.150 0.000 0.679 60 A CB -1.174 17.824 19.000 -0.004 0.000 0.795 60 A HN 1.038 9.188 8.150 -0.000 0.000 0.458 61 G N -0.953 108.015 108.800 0.280 0.000 2.642 61 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.231 61 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.231 61 G C -2.477 172.589 174.900 0.277 0.000 1.338 61 G CA -0.211 45.081 45.100 0.320 0.000 0.883 61 G HN 0.524 8.814 8.290 -0.000 0.000 0.570 62 P HA 0.252 4.672 4.420 -0.000 0.000 0.277 62 P C 0.077 177.372 177.300 -0.010 0.000 1.271 62 P CA -0.097 63.047 63.100 0.073 0.000 0.795 62 P CB 0.120 31.794 31.700 -0.044 0.000 1.101 63 H N -1.236 117.675 119.070 -0.266 0.000 2.815 63 H HA 0.156 4.712 4.556 -0.000 0.000 0.350 63 H C -0.345 174.891 175.328 -0.153 0.000 1.080 63 H CA -0.876 54.889 56.048 -0.473 0.000 1.433 63 H CB -0.085 29.441 29.762 -0.393 0.000 1.432 63 H HN 0.166 8.446 8.280 -0.000 0.000 0.592 64 F N 3.392 123.252 119.950 -0.151 0.000 2.612 64 F HA -0.003 4.524 4.527 -0.000 0.000 0.389 64 F C 0.082 175.757 175.800 -0.209 0.000 1.055 64 F CA 0.134 58.026 58.000 -0.181 0.000 1.232 64 F CB 0.028 38.915 39.000 -0.189 0.000 1.044 64 F HN 0.784 9.084 8.300 -0.000 0.000 0.560 65 N N 6.444 124.793 118.700 -0.585 0.000 2.946 65 N HA 0.273 5.013 4.740 -0.000 0.000 0.213 65 N C -2.842 172.302 175.510 -0.611 0.000 1.440 65 N CA -1.150 51.487 53.050 -0.689 0.000 0.745 65 N CB 0.275 38.396 38.487 -0.610 0.000 1.471 65 N HN 0.213 8.593 8.380 -0.000 0.000 0.569 80 H N 0.843 119.777 119.070 -0.226 0.000 2.610 80 H HA 0.171 4.727 4.556 -0.000 0.000 0.336 80 H C 1.016 176.138 175.328 -0.343 0.000 1.087 80 H CA -0.610 55.232 56.048 -0.344 0.000 1.405 80 H CB 1.954 31.387 29.762 -0.548 0.000 1.460 80 H HN 0.332 8.612 8.280 -0.000 0.000 0.538 81 V N 3.131 122.853 119.914 -0.320 0.000 2.282 81 V HA -0.253 3.867 4.120 -0.000 0.000 0.249 81 V C 2.369 178.357 176.094 -0.177 0.000 1.057 81 V CA 2.336 64.422 62.300 -0.357 0.000 1.032 81 V CB -0.727 30.671 31.823 -0.709 0.000 0.645 81 V HN 1.066 9.256 8.190 -0.000 0.000 0.447 82 G N -0.525 108.175 108.800 -0.167 0.000 2.679 82 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.212 82 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.212 82 G C 0.280 175.121 174.900 -0.098 0.000 1.137 82 G CA 0.047 45.110 45.100 -0.061 0.000 0.787 82 G HN 0.477 8.767 8.290 -0.000 0.000 0.534 83 D N 0.635 120.949 120.400 -0.144 0.000 2.344 83 D HA 0.194 4.834 4.640 -0.000 0.000 0.253 83 D C 0.953 177.245 176.300 -0.014 0.000 1.255 83 D CA 0.012 53.952 54.000 -0.099 0.000 0.894 83 D CB 1.477 42.183 40.800 -0.156 0.000 1.067 83 D HN 0.092 8.462 8.370 -0.000 0.000 0.492 84 L N 1.723 122.975 121.223 0.049 0.000 2.700 84 L HA 0.225 4.565 4.340 -0.000 0.000 0.234 84 L C 1.531 178.521 176.870 0.199 0.000 1.156 84 L CA -0.193 54.728 54.840 0.136 0.000 0.946 84 L CB -0.174 41.991 42.059 0.177 0.000 1.216 84 L HN 0.601 8.831 8.230 -0.000 0.000 0.493 85 G N 0.854 109.734 108.800 0.133 0.000 2.509 85 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.256 85 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.256 85 G C -0.268 174.731 174.900 0.166 0.000 1.152 85 G CA -0.336 44.834 45.100 0.115 0.000 0.951 85 G HN 0.285 8.575 8.290 -0.000 0.000 0.559 86 N N -0.455 118.324 118.700 0.133 0.000 2.509 86 N HA 0.669 5.409 4.740 -0.000 0.000 0.280 86 N C -0.444 175.082 175.510 0.027 0.000 1.306 86 N CA 0.236 53.356 53.050 0.117 0.000 0.782 86 N CB 2.406 40.926 38.487 0.056 0.000 1.493 86 N HN 1.348 9.728 8.380 -0.000 0.000 0.498 87 V N -2.091 117.808 119.914 -0.026 0.000 2.864 87 V HA 0.725 4.845 4.120 -0.000 0.000 0.314 87 V C -0.230 175.851 176.094 -0.023 0.000 1.073 87 V CA -0.528 61.681 62.300 -0.153 0.000 0.956 87 V CB 1.576 33.162 31.823 -0.394 0.000 1.023 87 V HN 0.583 8.773 8.190 -0.000 0.000 0.435 88 T N 3.129 117.665 114.554 -0.031 0.000 2.770 88 T HA 0.775 5.124 4.350 -0.000 0.000 0.283 88 T C 0.056 174.773 174.700 0.028 0.000 0.988 88 T CA 0.058 62.163 62.100 0.010 0.000 0.957 88 T CB 1.325 70.188 68.868 -0.009 0.000 0.930 88 T HN 1.339 9.579 8.240 -0.000 0.000 0.443 89 A N 3.428 126.299 122.820 0.084 0.000 2.290 89 A HA 0.624 4.944 4.320 -0.000 0.000 0.310 89 A C 0.376 177.985 177.584 0.041 0.000 1.202 89 A CA -0.914 51.163 52.037 0.068 0.000 0.837 89 A CB 0.227 19.301 19.000 0.122 0.000 1.139 89 A HN 0.888 9.038 8.150 -0.000 0.000 0.509 90 D N 1.519 121.931 120.400 0.021 0.000 2.356 90 D HA 0.054 4.694 4.640 -0.000 0.000 0.258 90 D C 1.164 177.474 176.300 0.018 0.000 1.279 90 D CA 0.084 54.092 54.000 0.014 0.000 1.016 90 D CB 0.328 41.132 40.800 0.006 0.000 1.107 90 D HN 0.545 8.915 8.370 -0.000 0.000 0.544 91 K N -1.259 119.148 120.400 0.012 0.000 2.280 91 K HA -0.124 4.196 4.320 -0.000 0.000 0.202 91 K C 0.239 176.847 176.600 0.013 0.000 1.047 91 K CA 1.153 57.448 56.287 0.013 0.000 0.942 91 K CB -0.180 32.325 32.500 0.008 0.000 0.739 91 K HN 0.229 8.479 8.250 -0.000 0.000 0.457 92 D N 0.581 120.988 120.400 0.010 0.000 2.328 92 D HA 0.064 4.704 4.640 -0.000 0.000 0.221 92 D C 0.784 177.088 176.300 0.007 0.000 1.072 92 D CA 0.832 54.836 54.000 0.007 0.000 0.850 92 D CB 0.714 41.516 40.800 0.004 0.000 0.922 92 D HN 0.541 8.911 8.370 -0.000 0.000 0.516 93 G N 0.546 109.354 108.800 0.014 0.000 2.143 93 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.249 93 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.249 93 G C 0.277 175.176 174.900 -0.002 0.000 0.981 93 G CA 0.185 45.293 45.100 0.013 0.000 0.665 93 G HN 0.281 8.571 8.290 -0.000 0.000 0.528 94 V N 0.437 120.350 119.914 -0.000 0.000 2.459 94 V HA 0.817 4.937 4.120 -0.000 0.000 0.295 94 V C 0.480 176.567 176.094 -0.012 0.000 1.029 94 V CA -0.218 62.076 62.300 -0.011 0.000 0.874 94 V CB 1.763 33.581 31.823 -0.008 0.000 0.985 94 V HN 1.180 9.370 8.190 -0.000 0.000 0.438 95 A N 3.107 125.909 122.820 -0.030 0.000 2.291 95 A HA 0.657 4.977 4.320 -0.000 0.000 0.311 95 A C -0.714 176.836 177.584 -0.056 0.000 1.224 95 A CA -0.499 51.512 52.037 -0.043 0.000 0.821 95 A CB 0.590 19.550 19.000 -0.067 0.000 1.172 95 A HN 0.816 8.966 8.150 -0.000 0.000 0.494 96 D N 1.700 122.076 120.400 -0.040 0.000 2.313 96 D HA 0.458 5.097 4.640 -0.000 0.000 0.239 96 D C -0.410 175.862 176.300 -0.046 0.000 1.142 96 D CA 0.418 54.401 54.000 -0.027 0.000 0.847 96 D CB 1.287 42.084 40.800 -0.005 0.000 1.082 96 D HN 0.228 8.598 8.370 -0.000 0.000 0.480 97 V N 2.405 122.287 119.914 -0.053 0.000 2.472 97 V HA 0.630 4.750 4.120 -0.000 0.000 0.290 97 V C -0.023 176.093 176.094 0.037 0.000 1.037 97 V CA -0.493 61.760 62.300 -0.079 0.000 0.908 97 V CB 1.658 33.361 31.823 -0.201 0.000 0.985 97 V HN 0.529 8.719 8.190 -0.000 0.000 0.454 98 S N 5.255 120.978 115.700 0.039 0.000 2.614 98 S HA 0.706 5.176 4.470 -0.000 0.000 0.259 98 S C -1.195 173.447 174.600 0.071 0.000 1.118 98 S CA -0.365 57.892 58.200 0.095 0.000 1.065 98 S CB 0.311 63.547 63.200 0.059 0.000 1.121 98 S HN 0.562 8.872 8.310 -0.000 0.000 0.458 99 I N 2.705 123.339 120.570 0.107 0.000 2.969 99 I HA 0.556 4.726 4.170 -0.000 0.000 0.307 99 I C -0.636 175.552 176.117 0.119 0.000 1.149 99 I CA -0.757 60.605 61.300 0.104 0.000 1.008 99 I CB 2.513 40.595 38.000 0.137 0.000 1.232 99 I HN 0.564 8.774 8.210 -0.000 0.000 0.435 100 E N 3.256 123.518 120.200 0.102 0.000 2.263 100 E HA 0.304 4.654 4.350 -0.000 0.000 0.268 100 E C -1.945 174.716 176.600 0.103 0.000 0.884 100 E CA -0.523 55.939 56.400 0.103 0.000 0.766 100 E CB 1.867 31.610 29.700 0.072 0.000 1.196 100 E HN 0.537 8.897 8.360 -0.000 0.000 0.416 101 D N 2.323 122.795 120.400 0.121 0.000 2.879 101 D HA 0.179 4.819 4.640 -0.000 0.000 0.236 101 D C -0.469 175.897 176.300 0.109 0.000 1.171 101 D CA -0.443 53.624 54.000 0.111 0.000 0.868 101 D CB 1.896 42.774 40.800 0.130 0.000 1.598 101 D HN 0.435 8.805 8.370 -0.000 0.000 0.497 102 S N 1.303 117.057 115.700 0.090 0.000 2.602 102 S HA 0.169 4.639 4.470 -0.000 0.000 0.240 102 S C 1.085 175.747 174.600 0.103 0.000 0.992 102 S CA -0.315 57.939 58.200 0.089 0.000 0.971 102 S CB 0.592 63.832 63.200 0.066 0.000 0.855 102 S HN 0.269 8.579 8.310 -0.000 0.000 0.481 103 V N 1.941 121.924 119.914 0.114 0.000 2.690 103 V HA 0.287 4.407 4.120 -0.000 0.000 0.240 103 V C 1.225 177.448 176.094 0.215 0.000 1.078 103 V CA 0.358 62.749 62.300 0.151 0.000 1.102 103 V CB -0.249 31.611 31.823 0.062 0.000 0.800 103 V HN 0.702 8.892 8.190 -0.000 0.000 0.479 104 I N -1.026 119.627 120.570 0.139 0.000 3.004 104 I HA 0.502 4.672 4.170 -0.000 0.000 0.287 104 I C 0.124 176.346 176.117 0.174 0.000 1.144 104 I CA 0.497 61.888 61.300 0.151 0.000 1.353 104 I CB 0.863 38.943 38.000 0.132 0.000 1.417 104 I HN 0.141 8.351 8.210 -0.000 0.000 0.602 105 S N 2.485 118.281 115.700 0.160 0.000 2.596 105 S HA 0.529 4.999 4.470 -0.000 0.000 0.270 105 S C -0.082 174.547 174.600 0.048 0.000 1.155 105 S CA -0.876 57.392 58.200 0.114 0.000 0.827 105 S CB 1.647 64.917 63.200 0.116 0.000 1.130 105 S HN 0.700 9.010 8.310 -0.000 0.000 0.467 106 L N 2.414 123.656 121.223 0.032 0.000 2.653 106 L HA 0.351 4.691 4.340 -0.000 0.000 0.231 106 L C 0.276 177.142 176.870 -0.007 0.000 1.153 106 L CA 0.002 54.834 54.840 -0.014 0.000 0.933 106 L CB -0.175 41.887 42.059 0.006 0.000 1.175 106 L HN 0.698 8.928 8.230 -0.000 0.000 0.473 107 S N -2.059 113.650 115.700 0.016 0.000 2.611 107 S HA 0.786 5.256 4.470 -0.000 0.000 0.268 107 S C -0.125 174.490 174.600 0.026 0.000 1.156 107 S CA -0.209 57.999 58.200 0.013 0.000 0.817 107 S CB 1.983 65.190 63.200 0.011 0.000 1.122 107 S HN 0.314 8.624 8.310 -0.000 0.000 0.466 108 G N 1.338 110.149 108.800 0.019 0.000 2.642 108 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.231 108 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.231 108 G C -0.070 174.863 174.900 0.054 0.000 1.338 108 G CA 0.457 45.567 45.100 0.017 0.000 0.883 108 G HN 0.813 9.103 8.290 -0.000 0.000 0.570 109 D N -0.238 120.185 120.400 0.039 0.000 2.218 109 D HA -0.045 4.595 4.640 -0.000 0.000 0.204 109 D C 1.638 178.137 176.300 0.331 0.000 0.976 109 D CA 1.665 55.736 54.000 0.119 0.000 0.853 109 D CB -0.189 40.633 40.800 0.037 0.000 0.939 109 D HN 0.659 9.029 8.370 -0.000 0.000 0.481 110 H N -0.944 118.194 119.070 0.112 0.000 2.505 110 H HA 0.189 4.745 4.556 -0.000 0.000 0.289 110 H C 0.333 175.789 175.328 0.213 0.000 1.052 110 H CA -0.829 55.337 56.048 0.197 0.000 1.156 110 H CB 0.372 30.189 29.762 0.092 0.000 1.507 110 H HN 0.013 8.293 8.280 -0.000 0.000 0.548 111 C N 2.593 122.024 119.300 0.220 0.000 2.592 111 C HA -0.010 4.450 4.460 -0.000 0.000 0.408 111 C C 1.988 176.925 174.990 -0.089 0.000 1.436 111 C CA -0.119 58.928 59.018 0.048 0.000 1.595 111 C CB -1.579 26.163 27.740 0.003 0.000 2.487 111 C HN 0.682 8.912 8.230 -0.000 0.000 0.610 112 I N 4.515 124.992 120.570 -0.156 0.000 3.956 112 I HA 0.378 4.548 4.170 -0.000 0.000 0.333 112 I C 0.446 176.365 176.117 -0.329 0.000 1.302 112 I CA -0.104 61.011 61.300 -0.307 0.000 1.122 112 I CB -0.334 37.507 38.000 -0.265 0.000 1.013 112 I HN 0.462 8.672 8.210 -0.000 0.000 0.405 113 I N 3.231 123.648 120.570 -0.254 0.000 2.496 113 I HA 0.279 4.449 4.170 -0.000 0.000 0.285 113 I C 1.422 177.431 176.117 -0.180 0.000 1.080 113 I CA 0.995 62.165 61.300 -0.218 0.000 1.404 113 I CB 0.896 38.804 38.000 -0.154 0.000 1.403 113 I HN 0.522 8.732 8.210 -0.000 0.000 0.539 114 G N 5.013 113.720 108.800 -0.155 0.000 2.175 114 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.244 114 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.244 114 G C 0.363 175.188 174.900 -0.124 0.000 0.982 114 G CA -0.330 44.702 45.100 -0.113 0.000 0.641 114 G HN 0.587 8.877 8.290 -0.000 0.000 0.527 115 R N -0.486 119.902 120.500 -0.188 0.000 2.843 115 R HA 0.724 5.064 4.340 -0.000 0.000 0.232 115 R C -0.424 175.800 176.300 -0.127 0.000 1.305 115 R CA -0.334 55.648 56.100 -0.196 0.000 1.096 115 R CB 0.789 30.871 30.300 -0.363 0.000 1.455 115 R HN 0.115 8.385 8.270 -0.000 0.000 0.520 116 T N 1.382 115.890 114.554 -0.076 0.000 2.855 116 T HA 0.368 4.718 4.350 -0.000 0.000 0.281 116 T C -1.084 173.615 174.700 -0.002 0.000 1.007 116 T CA -0.601 61.481 62.100 -0.031 0.000 1.009 116 T CB 1.256 70.120 68.868 -0.007 0.000 0.983 116 T HN 0.157 8.397 8.240 -0.000 0.000 0.455 117 L N 4.426 125.643 121.223 -0.010 0.000 2.295 117 L HA 0.773 5.113 4.340 -0.000 0.000 0.285 117 L C -1.129 175.731 176.870 -0.018 0.000 1.035 117 L CA -0.336 54.496 54.840 -0.013 0.000 0.806 117 L CB 1.087 43.157 42.059 0.018 0.000 1.214 117 L HN 0.439 8.669 8.230 -0.000 0.000 0.426 118 V N 5.159 125.074 119.914 0.001 0.000 2.735 118 V HA 0.559 4.679 4.120 -0.000 0.000 0.310 118 V C -0.773 175.359 176.094 0.064 0.000 1.061 118 V CA -0.837 61.422 62.300 -0.069 0.000 0.913 118 V CB 2.009 33.629 31.823 -0.338 0.000 1.005 118 V HN 0.575 8.765 8.190 -0.000 0.000 0.428 119 V N 4.169 124.106 119.914 0.037 0.000 2.417 119 V HA 0.563 4.682 4.120 -0.000 0.000 0.291 119 V C -0.308 175.803 176.094 0.028 0.000 1.024 119 V CA -0.188 62.235 62.300 0.205 0.000 0.861 119 V CB 1.205 33.140 31.823 0.187 0.000 0.985 119 V HN 0.930 9.120 8.190 -0.000 0.000 0.436 120 H N 3.786 122.968 119.070 0.187 0.000 2.495 120 H HA 0.264 4.820 4.556 -0.000 0.000 0.350 120 H C 0.681 176.142 175.328 0.222 0.000 1.202 120 H CA 0.182 56.328 56.048 0.164 0.000 1.322 120 H CB 1.917 31.782 29.762 0.172 0.000 1.544 120 H HN 0.844 9.124 8.280 -0.000 0.000 0.565 121 E N 1.415 121.791 120.200 0.294 0.000 2.106 121 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 121 E C -0.299 176.488 176.600 0.312 0.000 0.984 121 E CA 1.069 57.636 56.400 0.278 0.000 0.806 121 E CB 0.360 30.156 29.700 0.161 0.000 0.750 121 E HN 0.423 8.783 8.360 -0.000 0.000 0.458 122 K N -0.187 120.342 120.400 0.216 0.000 2.258 122 K HA 0.538 4.858 4.320 -0.000 0.000 0.236 122 K C -0.716 175.917 176.600 0.055 0.000 1.008 122 K CA -0.570 55.767 56.287 0.084 0.000 0.869 122 K CB 1.714 34.248 32.500 0.057 0.000 1.171 122 K HN 0.067 8.317 8.250 -0.000 0.000 0.447 123 A N 1.173 123.974 122.820 -0.031 0.000 2.445 123 A HA -0.000 4.320 4.320 -0.000 0.000 0.242 123 A C 0.046 177.631 177.584 0.000 0.000 1.075 123 A CA -0.079 51.943 52.037 -0.026 0.000 0.777 123 A CB 0.075 19.042 19.000 -0.056 0.000 1.013 123 A HN 0.752 8.902 8.150 -0.000 0.000 0.493 124 D N 0.011 120.417 120.400 0.010 0.000 2.443 124 D HA -0.013 4.627 4.640 -0.000 0.000 0.234 124 D C 0.175 176.460 176.300 -0.024 0.000 1.172 124 D CA 0.848 54.841 54.000 -0.011 0.000 0.878 124 D CB 0.616 41.420 40.800 0.007 0.000 1.204 124 D HN 0.624 8.994 8.370 -0.000 0.000 0.453 125 D N 1.745 122.123 120.400 -0.037 0.000 3.081 125 D HA 0.098 4.738 4.640 -0.000 0.000 0.243 125 D C 0.758 177.031 176.300 -0.046 0.000 1.388 125 D CA 0.075 54.054 54.000 -0.035 0.000 1.245 125 D CB 0.393 41.176 40.800 -0.028 0.000 1.319 125 D HN 0.419 8.789 8.370 -0.000 0.000 0.377 139 N N 1.505 120.196 118.700 -0.016 0.000 2.406 139 N HA 0.478 5.217 4.740 -0.000 0.000 0.251 139 N C 0.190 175.712 175.510 0.019 0.000 1.069 139 N CA 0.292 53.353 53.050 0.018 0.000 0.947 139 N CB 1.351 39.858 38.487 0.034 0.000 1.111 139 N HN 0.138 8.518 8.380 -0.000 0.000 0.497 140 A N 3.237 126.074 122.820 0.028 0.000 3.290 140 A HA 0.544 4.864 4.320 -0.000 0.000 0.297 140 A C 1.104 178.774 177.584 0.143 0.000 1.285 140 A CA 0.122 52.190 52.037 0.052 0.000 1.060 140 A CB -0.663 18.334 19.000 -0.005 0.000 1.114 140 A HN 0.979 9.129 8.150 -0.000 0.000 0.601 141 G N 0.755 109.622 108.800 0.111 0.000 2.527 141 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.268 141 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.268 141 G C 0.558 175.540 174.900 0.137 0.000 1.175 141 G CA 0.426 45.591 45.100 0.108 0.000 0.962 141 G HN 2.033 10.323 8.290 -0.000 0.000 0.560 142 S N -0.094 115.675 115.700 0.116 0.000 2.690 142 S HA 0.725 5.195 4.470 -0.000 0.000 0.291 142 S C 0.182 174.812 174.600 0.050 0.000 1.138 142 S CA -0.288 57.961 58.200 0.081 0.000 1.013 142 S CB 1.722 64.947 63.200 0.042 0.000 1.053 142 S HN 0.821 9.131 8.310 -0.000 0.000 0.539 143 R N 1.533 122.003 120.500 -0.049 0.000 2.248 143 R HA 0.287 4.627 4.340 -0.000 0.000 0.337 143 R C 0.667 176.889 176.300 -0.131 0.000 1.085 143 R CA -0.243 55.730 56.100 -0.212 0.000 0.934 143 R CB 0.089 30.230 30.300 -0.264 0.000 1.034 143 R HN 0.636 8.906 8.270 -0.000 0.000 0.465 144 L N 1.514 122.670 121.223 -0.111 0.000 2.072 144 L HA 0.037 4.377 4.340 -0.000 0.000 0.205 144 L C 0.932 177.755 176.870 -0.078 0.000 1.079 144 L CA 0.931 55.727 54.840 -0.074 0.000 0.752 144 L CB -0.132 41.883 42.059 -0.073 0.000 0.906 144 L HN 0.633 8.863 8.230 -0.000 0.000 0.436 145 A N -1.436 121.329 122.820 -0.092 0.000 2.608 145 A HA 0.592 4.912 4.320 -0.000 0.000 0.292 145 A C -1.143 176.397 177.584 -0.074 0.000 1.066 145 A CA -0.459 51.537 52.037 -0.069 0.000 0.676 145 A CB 1.167 20.140 19.000 -0.045 0.000 1.277 145 A HN 0.263 8.413 8.150 -0.000 0.000 0.413 146 c N -1.111 117.454 118.600 -0.058 0.000 3.320 146 c HA 1.058 5.628 4.570 -0.000 0.000 0.335 146 c C 0.079 174.152 174.090 -0.028 0.000 1.430 146 c CA -0.119 56.177 56.329 -0.054 0.000 1.271 146 c CB 1.189 43.638 42.510 -0.102 0.000 1.609 146 c HN 2.555 10.785 8.230 -0.000 0.000 0.457 147 G N -0.242 108.547 108.800 -0.018 0.000 2.673 147 G HA2 0.617 4.577 3.960 -0.000 0.000 0.292 147 G HA3 0.617 4.577 3.960 -0.000 0.000 0.292 147 G C -1.595 173.296 174.900 -0.014 0.000 1.450 147 G CA -0.446 44.647 45.100 -0.011 0.000 0.837 147 G HN 1.249 9.539 8.290 -0.000 0.000 0.505 148 V N 1.073 120.975 119.914 -0.019 0.000 2.732 148 V HA 0.326 4.446 4.120 -0.000 0.000 0.297 148 V C 0.497 176.566 176.094 -0.042 0.000 1.060 148 V CA -0.305 61.975 62.300 -0.034 0.000 1.038 148 V CB 1.430 33.235 31.823 -0.031 0.000 1.003 148 V HN 0.542 8.732 8.190 -0.000 0.000 0.481 149 I N 3.776 124.294 120.570 -0.087 0.000 2.301 149 I HA 0.451 4.621 4.170 -0.000 0.000 0.292 149 I C 0.887 176.932 176.117 -0.120 0.000 1.046 149 I CA 0.390 61.613 61.300 -0.129 0.000 1.282 149 I CB 0.773 38.595 38.000 -0.297 0.000 1.409 149 I HN 0.742 8.952 8.210 -0.000 0.000 0.484 150 G N 6.503 115.261 108.800 -0.071 0.000 2.471 150 G HA2 0.659 4.619 3.960 -0.000 0.000 0.332 150 G HA3 0.659 4.619 3.960 -0.000 0.000 0.332 150 G C -0.352 174.520 174.900 -0.046 0.000 1.176 150 G CA -0.823 44.244 45.100 -0.056 0.000 0.949 150 G HN 0.472 8.762 8.290 -0.000 0.000 0.488 151 I N 1.236 121.784 120.570 -0.037 0.000 2.598 151 I HA 0.295 4.465 4.170 -0.000 0.000 0.284 151 I C 0.943 177.060 176.117 0.001 0.000 1.140 151 I CA 0.118 61.406 61.300 -0.020 0.000 1.420 151 I CB 0.904 38.894 38.000 -0.017 0.000 1.387 151 I HN 0.481 8.691 8.210 -0.000 0.000 0.553 152 A N 6.423 129.254 122.820 0.018 0.000 2.322 152 A HA 0.482 4.802 4.320 -0.000 0.000 0.327 152 A C -0.289 177.317 177.584 0.036 0.000 1.134 152 A CA -0.565 51.489 52.037 0.029 0.000 0.831 152 A CB 1.324 20.349 19.000 0.041 0.000 1.288 152 A HN 0.731 8.881 8.150 -0.000 0.000 0.472 153 Q N 0.000 119.822 119.800 0.037 0.000 2.315 153 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 153 Q CA 0.000 55.827 55.803 0.039 0.000 1.022 153 Q CB 0.000 28.758 28.738 0.034 0.000 1.108 153 Q HN 0.000 8.270 8.270 -0.000 0.000 0.481