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 1b8t_1_A DATA FIRST_RESID 1 DATA SEQUENCE MPNWGGGKKC GVCQKAVYFA EEVQCEGSSF HKSCFLCMVC KKNLDSTTVA DATA SEQUENCE VHGDEIYCKS CYGKKYGPKG KGKGMGAGTL STDKGESLGI KYEEGQSHRP DATA SEQUENCE TNPNASRMAQ KVGGSDGCPR CGQAVYAAEK VIGAGKSWHK SCFRCAKCGK DATA SEQUENCE SLESTTLADK DGEIYCKGCY AKNFGPKGFG FGQGAGALIH SQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.489 4.480 0.015 0.000 0.227 1 M C 0.000 176.300 176.300 -0.000 0.000 1.140 1 M CA 0.000 55.303 55.300 0.006 0.000 0.988 1 M CB 0.000 32.595 32.600 -0.008 0.000 1.302 2 P HA 0.084 4.477 4.420 -0.046 0.000 0.274 2 P C -1.562 175.752 177.300 0.024 0.000 1.291 2 P CA 0.192 63.282 63.100 -0.016 0.000 0.815 2 P CB -0.378 31.310 31.700 -0.019 0.000 0.897 3 N N 2.148 120.879 118.700 0.053 0.000 4.107 3 N HA -0.032 4.779 4.740 0.117 0.000 0.213 3 N C -1.729 173.982 175.510 0.337 0.000 1.216 3 N CA 0.099 53.234 53.050 0.142 0.000 0.925 3 N CB 1.951 40.513 38.487 0.126 0.000 1.541 3 N HN 0.076 8.461 8.380 0.008 0.000 0.524 4 W N 1.270 122.587 121.300 0.028 0.000 5.273 4 W HA -0.052 4.636 4.660 0.047 0.000 0.154 4 W C 0.121 176.674 176.519 0.058 0.000 2.416 4 W CA 0.843 58.214 57.345 0.043 0.000 1.787 4 W CB -0.269 29.214 29.460 0.039 0.000 0.721 4 W HN 0.325 8.668 8.180 0.271 0.000 1.087 5 G N 1.481 110.441 108.800 0.266 0.000 2.536 5 G HA2 -0.283 3.747 3.960 0.116 0.000 0.280 5 G HA3 -0.283 3.735 3.960 0.096 0.000 0.280 5 G C -0.946 174.036 174.900 0.137 0.000 1.152 5 G CA -0.153 45.032 45.100 0.142 0.000 0.970 5 G HN -0.313 8.164 8.290 0.312 0.000 0.549 6 G N -0.576 108.310 108.800 0.143 0.000 2.749 6 G HA2 0.215 4.232 3.960 0.096 0.000 0.300 6 G HA3 0.215 4.334 3.960 0.266 0.000 0.300 6 G C -2.230 172.886 174.900 0.360 0.000 1.352 6 G CA -0.145 45.080 45.100 0.208 0.000 0.789 6 G HN 0.148 8.522 8.290 0.140 0.000 0.509 7 G N -3.349 105.579 108.800 0.213 0.000 2.340 7 G HA2 0.191 3.909 3.960 -0.403 0.000 0.299 7 G HA3 0.191 4.271 3.960 -0.033 -0.139 0.299 7 G C -2.312 172.388 174.900 -0.333 0.000 1.291 7 G CA 0.240 45.269 45.100 -0.119 0.000 0.841 7 G HN -0.212 8.156 8.290 0.131 0.000 0.500 8 K N -0.497 119.652 120.400 -0.419 0.000 2.267 8 K HA 0.446 4.587 4.320 -0.297 0.000 0.236 8 K C -0.607 175.862 176.600 -0.218 0.000 1.030 8 K CA -2.079 54.002 56.287 -0.343 0.000 0.930 8 K CB 2.823 35.067 32.500 -0.428 0.000 1.182 8 K HN 0.128 8.015 8.250 -0.438 0.099 0.474 9 K N -1.978 118.314 120.400 -0.180 0.000 2.483 9 K HA 0.189 4.461 4.320 -0.081 0.000 0.256 9 K C -1.763 174.783 176.600 -0.089 0.000 0.961 9 K CA -1.353 54.871 56.287 -0.104 0.000 0.873 9 K CB 0.294 32.756 32.500 -0.064 0.000 1.107 9 K HN 0.299 8.434 8.250 -0.191 0.000 0.432 10 C N 6.513 125.777 119.300 -0.060 0.000 2.416 10 C HA 0.365 5.033 4.460 -0.000 -0.208 0.355 10 C C 1.187 176.249 174.990 0.119 0.000 1.211 10 C CA -0.684 58.348 59.018 0.023 0.000 1.699 10 C CB -0.621 27.164 27.740 0.075 0.000 2.310 10 C HN 0.844 8.947 8.230 -0.025 0.112 0.539 11 G N 7.326 116.232 108.800 0.176 0.000 2.956 11 G HA2 -0.053 3.952 3.960 0.075 0.000 0.207 11 G HA3 -0.053 3.999 3.960 0.153 0.000 0.207 11 G C -0.297 174.645 174.900 0.069 0.000 1.162 11 G CA 0.946 46.125 45.100 0.132 0.000 0.796 11 G HN 0.332 8.768 8.290 0.243 0.000 0.527 12 V N 0.684 120.635 119.914 0.061 0.000 2.502 12 V HA -0.018 3.962 4.120 -0.234 0.000 0.234 12 V C 1.590 177.660 176.094 -0.039 0.000 1.072 12 V CA 2.439 64.659 62.300 -0.134 0.000 1.094 12 V CB 1.133 32.762 31.823 -0.323 0.000 0.761 12 V HN -0.559 7.652 8.190 0.186 0.090 0.489 13 C N -3.066 116.263 119.300 0.050 0.000 2.495 13 C HA 0.049 4.511 4.460 0.003 0.000 0.275 13 C C 0.564 175.584 174.990 0.050 0.000 1.392 13 C CA -0.237 58.807 59.018 0.043 0.000 1.766 13 C CB 0.856 28.629 27.740 0.056 0.000 1.933 13 C HN -0.157 8.154 8.230 0.135 0.000 0.519 14 Q N -2.005 117.842 119.800 0.079 0.000 2.498 14 Q HA -0.401 4.106 4.340 0.059 -0.131 0.270 14 Q C -1.971 174.076 176.000 0.078 0.000 0.936 14 Q CA 0.921 56.761 55.803 0.062 0.000 1.078 14 Q CB -1.763 26.994 28.738 0.031 0.000 1.322 14 Q HN 0.112 8.331 8.270 0.107 0.116 0.582 15 K N -1.362 119.126 120.400 0.148 0.000 2.259 15 K HA 0.213 4.589 4.320 0.094 0.000 0.249 15 K C -1.889 174.841 176.600 0.216 0.000 0.942 15 K CA -1.664 54.724 56.287 0.167 0.000 0.816 15 K CB 3.091 35.669 32.500 0.131 0.000 1.155 15 K HN -0.747 7.633 8.250 0.216 0.000 0.428 16 A N 4.161 127.054 122.820 0.122 0.000 2.362 16 A HA 0.185 4.623 4.320 -0.003 -0.120 0.276 16 A C -0.022 177.642 177.584 0.132 0.000 1.153 16 A CA -0.688 51.380 52.037 0.053 0.000 0.813 16 A CB 0.553 19.541 19.000 -0.018 0.000 1.081 16 A HN 0.364 8.565 8.150 0.085 0.000 0.507 17 V N 5.102 125.000 119.914 -0.026 0.000 2.470 17 V HA -0.083 4.184 4.120 0.245 0.000 0.276 17 V C 0.744 176.786 176.094 -0.086 0.000 1.040 17 V CA 0.801 63.049 62.300 -0.086 0.000 1.008 17 V CB -0.020 31.535 31.823 -0.447 0.000 0.990 17 V HN 0.056 8.025 8.190 -0.161 0.125 0.477 18 Y N 5.245 125.582 120.300 0.061 0.000 3.007 18 Y HA -0.077 4.520 4.550 0.077 0.000 0.390 18 Y C -1.243 174.769 175.900 0.186 0.000 1.065 18 Y CA -2.595 55.558 58.100 0.089 0.000 1.845 18 Y CB -2.240 36.265 38.460 0.075 0.000 1.828 18 Y HN 0.166 8.468 8.280 0.036 0.000 0.458 19 F N -0.739 119.109 119.950 -0.171 0.000 2.243 19 F HA -0.549 4.029 4.527 -0.167 -0.151 0.267 19 F C -0.579 175.093 175.800 -0.212 0.000 1.052 19 F CA 0.847 58.755 58.000 -0.153 0.000 0.999 19 F CB -1.270 37.707 39.000 -0.039 0.000 1.310 19 F HN -0.315 7.746 8.300 -0.240 0.095 0.787 20 A N 2.616 125.308 122.820 -0.213 0.000 1.609 20 A HA -0.097 4.210 4.320 -0.021 0.000 0.215 20 A C -1.398 176.111 177.584 -0.124 0.000 1.796 20 A CA 1.335 53.262 52.037 -0.183 0.000 1.303 20 A CB 1.509 20.230 19.000 -0.466 0.000 1.240 20 A HN 0.593 9.020 8.150 -0.305 -0.460 0.429 21 E N -3.006 117.081 120.200 -0.188 0.000 2.713 21 E HA -0.015 4.278 4.350 -0.096 0.000 0.201 21 E C -1.043 175.449 176.600 -0.180 0.000 0.935 21 E CA -0.060 56.261 56.400 -0.132 0.000 1.273 21 E CB 1.362 31.016 29.700 -0.077 0.000 1.221 21 E HN -0.194 7.996 8.360 -0.283 0.000 0.547 22 E N -2.291 117.758 120.200 -0.252 0.000 2.202 22 E HA -0.413 3.716 4.350 -0.368 0.000 0.169 22 E C -1.026 175.434 176.600 -0.233 0.000 1.536 22 E CA 0.294 56.509 56.400 -0.308 0.000 0.664 22 E CB -2.332 27.136 29.700 -0.387 0.000 1.064 22 E HN 0.035 8.230 8.360 -0.274 0.000 0.327 23 V N 2.073 121.885 119.914 -0.170 0.000 2.458 23 V HA -0.273 3.731 4.120 -0.192 0.000 0.287 23 V C -0.300 175.669 176.094 -0.208 0.000 1.009 23 V CA 1.222 63.427 62.300 -0.160 0.000 1.091 23 V CB -0.475 31.298 31.823 -0.084 0.000 0.960 23 V HN 0.108 8.226 8.190 -0.120 0.000 0.476 24 Q N 6.802 126.476 119.800 -0.211 0.000 2.312 24 Q HA 0.264 4.518 4.340 -0.299 -0.094 0.236 24 Q C -1.059 174.835 176.000 -0.178 0.000 0.965 24 Q CA -0.330 55.338 55.803 -0.225 0.000 0.894 24 Q CB 1.381 30.015 28.738 -0.173 0.000 1.225 24 Q HN 0.144 8.298 8.270 -0.193 0.000 0.478 25 C N -0.319 118.856 119.300 -0.208 0.000 3.306 25 C HA 0.111 4.548 4.460 -0.038 0.000 0.335 25 C C -1.962 172.965 174.990 -0.106 0.000 1.382 25 C CA -0.406 58.544 59.018 -0.112 0.000 1.254 25 C CB 3.553 31.244 27.740 -0.083 0.000 1.555 25 C HN 0.644 8.725 8.230 -0.247 0.000 0.463 26 E N 1.911 122.086 120.200 -0.041 0.000 3.102 26 E HA -0.268 4.063 4.350 -0.033 0.000 0.235 26 E C 0.365 176.944 176.600 -0.035 0.000 0.995 26 E CA 1.753 58.137 56.400 -0.027 0.000 0.950 26 E CB 0.111 29.812 29.700 0.001 0.000 0.905 26 E HN 0.346 8.701 8.360 -0.009 0.000 0.553 27 G N 3.251 112.024 108.800 -0.046 0.000 2.396 27 G HA2 -0.360 3.569 3.960 -0.051 0.000 0.288 27 G HA3 -0.360 3.586 3.960 -0.022 0.000 0.288 27 G C -1.030 173.840 174.900 -0.051 0.000 0.926 27 G CA 0.993 46.067 45.100 -0.043 0.000 1.211 27 G HN 0.471 8.733 8.290 -0.048 0.000 0.496 28 S N -2.687 112.937 115.700 -0.126 0.000 2.656 28 S HA 0.112 4.517 4.470 -0.109 0.000 0.265 28 S C -2.475 171.834 174.600 -0.485 0.000 1.110 28 S CA -0.640 57.437 58.200 -0.206 0.000 0.821 28 S CB 1.497 64.655 63.200 -0.071 0.000 1.099 28 S HN -0.112 8.106 8.310 -0.153 0.000 0.471 29 S N -1.212 114.035 115.700 -0.754 0.000 2.570 29 S HA 0.792 4.846 4.470 -0.941 -0.149 0.286 29 S C -2.051 172.171 174.600 -0.631 0.000 1.143 29 S CA -0.011 57.716 58.200 -0.788 0.000 0.921 29 S CB 2.336 65.306 63.200 -0.384 0.000 1.108 29 S HN 0.069 8.047 8.310 -0.554 0.000 0.456 30 F N -0.834 119.099 119.950 -0.029 0.000 2.650 30 F HA 0.441 4.892 4.527 -0.127 0.000 0.320 30 F C -0.171 175.597 175.800 -0.054 0.000 1.091 30 F CA -2.314 55.659 58.000 -0.045 0.000 0.962 30 F CB 2.872 41.886 39.000 0.024 0.000 1.363 30 F HN 0.656 8.660 8.300 -0.492 0.000 0.482 31 H N 0.609 119.806 119.070 0.211 0.000 2.822 31 H HA -0.093 4.476 4.556 0.022 0.000 0.373 31 H C 0.687 176.105 175.328 0.150 0.000 1.223 31 H CA 1.645 57.755 56.048 0.102 0.000 1.436 31 H CB 0.862 30.666 29.762 0.070 0.000 1.439 31 H HN -0.048 8.443 8.280 0.352 0.000 0.618 32 K N 1.576 122.094 120.400 0.197 0.000 1.978 32 K HA -0.422 3.960 4.320 0.104 0.000 0.214 32 K C 1.566 178.277 176.600 0.185 0.000 1.049 32 K CA 4.053 60.421 56.287 0.134 0.000 0.939 32 K CB -0.034 32.500 32.500 0.057 0.000 0.721 32 K HN 0.387 8.737 8.250 0.166 0.000 0.441 33 S N -2.666 113.127 115.700 0.155 0.000 2.400 33 S HA -0.208 4.330 4.470 0.114 0.000 0.232 33 S C 1.456 176.145 174.600 0.149 0.000 1.025 33 S CA 2.445 60.722 58.200 0.127 0.000 0.993 33 S CB -0.192 63.058 63.200 0.084 0.000 0.808 33 S HN -0.146 8.250 8.310 0.143 0.000 0.478 34 C N -0.645 118.771 119.300 0.194 0.000 2.432 34 C HA -0.117 4.396 4.460 0.090 0.000 0.277 34 C C 1.277 176.366 174.990 0.166 0.000 1.249 34 C CA 1.855 60.972 59.018 0.165 0.000 1.725 34 C CB -0.525 27.357 27.740 0.237 0.000 2.028 34 C HN -0.169 8.109 8.230 0.242 0.097 0.477 35 F N 2.816 122.848 119.950 0.137 0.000 2.604 35 F HA -0.143 4.480 4.527 0.159 0.000 0.337 35 F C -1.963 173.884 175.800 0.077 0.000 1.294 35 F CA 0.640 58.724 58.000 0.141 0.000 1.066 35 F CB -1.116 37.976 39.000 0.154 0.000 1.391 35 F HN 0.116 8.498 8.300 0.448 0.187 0.652 36 L N 5.265 126.573 121.223 0.142 0.000 2.436 36 L HA 0.350 4.937 4.340 0.226 -0.112 0.268 36 L C -2.066 174.842 176.870 0.063 0.000 0.974 36 L CA -1.348 53.575 54.840 0.139 0.000 0.826 36 L CB 4.052 46.173 42.059 0.104 0.000 1.291 36 L HN -0.301 7.908 8.230 -0.019 0.010 0.406 37 C N 7.190 126.560 119.300 0.116 0.000 2.409 37 C HA -0.240 4.440 4.460 0.137 -0.138 0.399 37 C C 0.856 175.928 174.990 0.136 0.000 1.505 37 C CA 0.103 59.204 59.018 0.139 0.000 1.435 37 C CB -1.032 26.802 27.740 0.155 0.000 2.462 37 C HN 0.460 8.712 8.230 0.152 0.070 0.619 38 M N 7.537 127.246 119.600 0.183 0.000 2.682 38 M HA -0.110 4.428 4.480 0.097 0.000 0.235 38 M C -0.148 176.277 176.300 0.209 0.000 1.114 38 M CA 1.449 56.860 55.300 0.185 0.000 1.053 38 M CB -1.014 31.700 32.600 0.190 0.000 1.599 38 M HN 0.517 8.919 8.290 0.186 0.000 0.520 39 V N -1.963 118.063 119.914 0.185 0.000 2.695 39 V HA -0.052 4.056 4.120 -0.019 0.000 0.230 39 V C 1.171 177.281 176.094 0.027 0.000 1.110 39 V CA 2.167 64.485 62.300 0.029 0.000 1.159 39 V CB 0.513 32.291 31.823 -0.075 0.000 0.875 39 V HN -0.499 7.736 8.190 0.236 0.097 0.502 40 C N -3.496 115.832 119.300 0.046 0.000 2.468 40 C HA 0.034 4.506 4.460 0.018 0.000 0.277 40 C C 0.669 175.685 174.990 0.042 0.000 1.400 40 C CA -0.227 58.813 59.018 0.036 0.000 1.770 40 C CB 0.621 28.386 27.740 0.041 0.000 1.905 40 C HN -0.137 8.135 8.230 0.071 0.000 0.519 41 K N -2.806 117.630 120.400 0.060 0.000 3.399 41 K HA -0.385 4.115 4.320 0.060 -0.143 0.298 41 K C -2.017 174.616 176.600 0.057 0.000 1.326 41 K CA 0.765 57.084 56.287 0.054 0.000 0.874 41 K CB -1.708 30.814 32.500 0.037 0.000 1.403 41 K HN 0.055 8.238 8.250 0.080 0.115 0.492 42 K N -0.624 119.817 120.400 0.069 0.000 2.185 42 K HA 0.113 4.468 4.320 0.059 0.000 0.269 42 K C -0.715 175.941 176.600 0.094 0.000 0.987 42 K CA -1.480 54.849 56.287 0.070 0.000 0.865 42 K CB 1.831 34.368 32.500 0.061 0.000 1.090 42 K HN -0.765 7.508 8.250 0.077 0.023 0.450 43 N N 3.808 122.562 118.700 0.090 0.000 2.294 43 N HA -0.290 4.534 4.740 0.140 0.000 0.248 43 N C -0.702 174.896 175.510 0.147 0.000 1.242 43 N CA 1.997 55.120 53.050 0.120 0.000 0.848 43 N CB 0.505 39.047 38.487 0.092 0.000 1.084 43 N HN 0.443 8.866 8.380 0.073 0.000 0.457 44 L N 4.344 125.714 121.223 0.243 0.000 2.384 44 L HA 0.256 4.693 4.340 0.163 0.000 0.261 44 L C -1.430 175.488 176.870 0.081 0.000 1.024 44 L CA -0.463 54.538 54.840 0.268 0.000 0.899 44 L CB 0.592 42.940 42.059 0.481 0.000 1.243 44 L HN 0.081 8.404 8.230 0.327 0.103 0.449 45 D N 1.573 121.956 120.400 -0.027 0.000 2.795 45 D HA 0.131 4.581 4.640 -0.315 0.000 0.335 45 D C -1.000 175.223 176.300 -0.127 0.000 1.262 45 D CA -0.259 53.653 54.000 -0.148 0.000 0.885 45 D CB -0.211 40.543 40.800 -0.077 0.000 1.047 45 D HN 0.423 8.802 8.370 0.015 0.000 0.500 46 S N -0.346 115.268 115.700 -0.143 0.000 2.643 46 S HA 0.043 4.448 4.470 -0.108 0.000 0.266 46 S C -1.126 173.428 174.600 -0.078 0.000 1.130 46 S CA -0.829 57.315 58.200 -0.093 0.000 0.817 46 S CB 1.426 64.601 63.200 -0.043 0.000 1.107 46 S HN -0.665 7.535 8.310 -0.182 0.000 0.471 47 T N -2.838 111.682 114.554 -0.056 0.000 2.887 47 T HA 0.003 4.324 4.350 -0.048 0.000 0.371 47 T C -0.105 174.587 174.700 -0.015 0.000 1.126 47 T CA 0.838 62.914 62.100 -0.040 0.000 1.043 47 T CB 0.232 69.076 68.868 -0.040 0.000 1.362 47 T HN 0.039 8.247 8.240 -0.053 0.000 0.525 48 T N -4.238 110.303 114.554 -0.021 0.000 4.242 48 T HA -0.404 3.923 4.350 -0.039 0.000 0.327 48 T C -1.243 173.454 174.700 -0.005 0.000 0.837 48 T CA 1.427 63.515 62.100 -0.020 0.000 1.949 48 T CB -1.215 67.647 68.868 -0.011 0.000 1.943 48 T HN 0.106 8.328 8.240 -0.030 0.000 0.863 49 V N -0.924 119.001 119.914 0.019 0.000 2.713 49 V HA -0.052 4.119 4.120 0.086 0.000 0.307 49 V C -1.620 174.481 176.094 0.013 0.000 1.052 49 V CA -1.949 60.401 62.300 0.084 0.000 0.967 49 V CB 1.472 33.433 31.823 0.229 0.000 1.019 49 V HN -0.520 7.638 8.190 0.012 0.039 0.459 50 A N 6.154 128.971 122.820 -0.005 0.000 2.435 50 A HA 0.441 4.671 4.320 -0.149 0.000 0.296 50 A C -2.195 175.395 177.584 0.010 0.000 1.147 50 A CA -1.739 50.217 52.037 -0.136 0.000 0.775 50 A CB 3.263 21.897 19.000 -0.610 0.000 1.340 50 A HN 0.798 8.991 8.150 0.070 0.000 0.427 51 V N -0.539 119.400 119.914 0.042 0.000 3.166 51 V HA 0.341 4.422 4.120 -0.065 0.000 0.317 51 V C -0.604 175.653 176.094 0.272 0.000 1.136 51 V CA -1.911 60.428 62.300 0.065 0.000 1.035 51 V CB 3.150 35.012 31.823 0.064 0.000 1.110 51 V HN 0.045 8.236 8.190 0.002 0.000 0.450 52 H N 0.925 119.980 119.070 -0.024 0.000 2.967 52 H HA 0.203 4.879 4.556 0.201 0.000 0.318 52 H C -0.914 174.413 175.328 -0.001 0.000 1.375 52 H CA -0.963 55.137 56.048 0.086 0.000 1.132 52 H CB 3.954 33.872 29.762 0.260 0.000 1.848 52 H HN 0.579 8.847 8.280 -0.020 0.000 0.524 53 G N 0.279 108.858 108.800 -0.369 0.000 2.193 53 G HA2 -0.394 3.468 3.960 -0.163 0.000 0.275 53 G HA3 -0.394 3.411 3.960 -0.258 0.000 0.275 53 G C -0.179 174.661 174.900 -0.100 0.000 0.882 53 G CA 1.430 46.401 45.100 -0.216 0.000 1.135 53 G HN 0.477 8.117 8.290 -1.083 0.000 0.349 54 D N 1.299 121.638 120.400 -0.101 0.000 2.740 54 D HA -0.295 4.256 4.640 -0.147 0.000 0.231 54 D C -1.145 175.034 176.300 -0.201 0.000 1.194 54 D CA 1.371 55.288 54.000 -0.137 0.000 0.673 54 D CB 0.181 40.922 40.800 -0.098 0.000 0.995 54 D HN 0.182 8.504 8.370 -0.080 0.000 0.411 55 E N -2.868 117.161 120.200 -0.285 0.000 2.403 55 E HA 0.163 4.247 4.350 -0.443 0.000 0.280 55 E C -2.964 173.240 176.600 -0.659 0.000 1.101 55 E CA -1.004 55.124 56.400 -0.454 0.000 0.856 55 E CB 3.800 33.297 29.700 -0.338 0.000 1.303 55 E HN -0.074 8.140 8.360 -0.243 0.000 0.441 56 I N -2.360 117.704 120.570 -0.843 0.000 2.647 56 I HA 0.522 4.357 4.170 -0.558 0.000 0.295 56 I C -2.968 172.764 176.117 -0.641 0.000 1.078 56 I CA -1.530 59.353 61.300 -0.694 0.000 1.048 56 I CB 3.337 40.942 38.000 -0.657 0.000 1.239 56 I HN 0.307 8.076 8.210 -0.734 0.000 0.421 57 Y N 3.894 124.226 120.300 0.054 0.000 2.504 57 Y HA 0.491 5.074 4.550 0.056 0.000 0.344 57 Y C -0.372 175.597 175.900 0.115 0.000 1.023 57 Y CA -2.641 55.516 58.100 0.095 0.000 1.020 57 Y CB 3.426 41.974 38.460 0.146 0.000 1.282 57 Y HN 0.277 8.412 8.280 -0.062 0.108 0.454 58 C N 0.361 119.819 119.300 0.263 0.000 2.657 58 C HA 0.158 4.712 4.460 0.157 0.000 0.404 58 C C 1.189 176.268 174.990 0.147 0.000 1.291 58 C CA -1.224 57.896 59.018 0.170 0.000 2.218 58 C CB 1.876 29.695 27.740 0.132 0.000 2.687 58 C HN 0.410 8.796 8.230 0.259 0.000 0.634 59 K N 5.499 125.939 120.400 0.066 0.000 1.998 59 K HA -0.547 3.742 4.320 -0.051 0.000 0.228 59 K C 1.670 178.319 176.600 0.082 0.000 1.053 59 K CA 4.334 60.633 56.287 0.020 0.000 0.988 59 K CB -0.320 32.166 32.500 -0.022 0.000 0.735 59 K HN 0.367 8.646 8.250 0.048 0.000 0.448 60 S N -1.126 114.609 115.700 0.058 0.000 2.422 60 S HA -0.386 4.110 4.470 0.043 0.000 0.248 60 S C 2.239 176.879 174.600 0.066 0.000 1.069 60 S CA 3.487 61.718 58.200 0.053 0.000 1.214 60 S CB -0.239 62.985 63.200 0.041 0.000 1.122 60 S HN 0.057 8.394 8.310 0.044 0.000 0.432 61 C N 1.750 121.091 119.300 0.070 0.000 2.363 61 C HA -0.420 4.044 4.460 0.005 0.000 0.274 61 C C 1.952 176.965 174.990 0.037 0.000 1.183 61 C CA 4.415 63.456 59.018 0.038 0.000 1.771 61 C CB -2.061 25.706 27.740 0.044 0.000 2.059 61 C HN -0.695 7.581 8.230 0.077 0.000 0.455 62 Y N -0.237 120.031 120.300 -0.054 0.000 2.069 62 Y HA -0.547 3.949 4.550 -0.091 0.000 0.278 62 Y C 2.010 177.846 175.900 -0.107 0.000 1.175 62 Y CA 3.881 61.902 58.100 -0.133 0.000 1.134 62 Y CB -0.364 37.965 38.460 -0.220 0.000 0.965 62 Y HN 0.621 8.884 8.280 0.257 0.171 0.498 63 G N -5.078 103.791 108.800 0.116 0.000 2.509 63 G HA2 -0.377 3.647 3.960 0.108 0.000 0.218 63 G HA3 -0.377 3.627 3.960 0.074 0.000 0.218 63 G C 0.399 175.343 174.900 0.073 0.000 1.124 63 G CA 1.639 46.793 45.100 0.089 0.000 0.776 63 G HN 0.496 8.691 8.290 0.140 0.178 0.547 64 K N -0.121 120.304 120.400 0.042 0.000 2.021 64 K HA -0.197 4.133 4.320 0.017 0.000 0.205 64 K C 1.259 177.857 176.600 -0.003 0.000 1.047 64 K CA 2.579 58.873 56.287 0.011 0.000 0.943 64 K CB 0.016 32.510 32.500 -0.010 0.000 0.725 64 K HN -0.184 7.887 8.250 0.039 0.202 0.439 65 K N -2.976 117.408 120.400 -0.026 0.000 2.025 65 K HA -0.209 4.052 4.320 -0.099 0.000 0.207 65 K C 2.039 178.619 176.600 -0.034 0.000 1.049 65 K CA 1.815 58.057 56.287 -0.075 0.000 0.933 65 K CB 0.184 32.573 32.500 -0.185 0.000 0.714 65 K HN -0.231 7.995 8.250 -0.041 0.000 0.438 66 Y N -3.916 116.260 120.300 -0.206 0.000 2.163 66 Y HA -0.229 4.231 4.550 -0.150 0.000 0.288 66 Y C 0.886 176.746 175.900 -0.066 0.000 1.136 66 Y CA 1.998 60.013 58.100 -0.141 0.000 1.147 66 Y CB 0.146 38.534 38.460 -0.120 0.000 0.987 66 Y HN -0.006 8.382 8.280 0.356 0.106 0.509 67 G N -1.226 107.657 108.800 0.137 0.000 2.905 67 G HA2 -0.225 3.785 3.960 0.083 0.000 0.233 67 G HA3 -0.225 3.875 3.960 0.057 -0.105 0.233 67 G C -2.000 172.917 174.900 0.028 0.000 1.243 67 G CA -0.898 44.245 45.100 0.072 0.000 0.856 67 G HN -0.458 7.783 8.290 0.156 0.143 0.594 68 P HA 0.165 4.582 4.420 -0.005 0.000 0.277 68 P C -1.262 176.036 177.300 -0.004 0.000 1.276 68 P CA -0.603 62.499 63.100 0.003 0.000 0.788 68 P CB 1.214 32.919 31.700 0.007 0.000 1.114 69 K N -1.682 118.712 120.400 -0.010 0.000 2.214 69 K HA 0.030 4.343 4.320 -0.013 0.000 0.210 69 K C 1.185 177.781 176.600 -0.008 0.000 1.036 69 K CA 0.401 56.681 56.287 -0.012 0.000 0.958 69 K CB 0.505 32.994 32.500 -0.018 0.000 0.973 69 K HN 0.157 8.400 8.250 -0.010 0.000 0.466 70 G N -0.804 107.992 108.800 -0.007 0.000 2.335 70 G HA2 0.105 4.064 3.960 -0.002 0.000 0.291 70 G HA3 0.105 4.062 3.960 -0.005 0.000 0.291 70 G C -1.754 173.143 174.900 -0.005 0.000 1.261 70 G CA -0.565 44.532 45.100 -0.005 0.000 0.871 70 G HN -0.278 8.007 8.290 -0.008 0.000 0.491 71 K N -0.239 120.159 120.400 -0.004 0.000 2.240 71 K HA 0.333 4.651 4.320 -0.004 0.000 0.237 71 K C 0.703 177.300 176.600 -0.005 0.000 1.027 71 K CA -0.521 55.764 56.287 -0.004 0.000 0.937 71 K CB 1.204 33.702 32.500 -0.002 0.000 1.171 71 K HN 0.190 8.438 8.250 -0.003 0.000 0.479 72 G N 0.769 109.566 108.800 -0.005 0.000 2.882 72 G HA2 0.246 4.203 3.960 -0.006 0.000 0.164 72 G HA3 0.246 4.203 3.960 -0.005 0.000 0.164 72 G C -0.882 174.015 174.900 -0.004 0.000 1.429 72 G CA -0.239 44.858 45.100 -0.005 0.000 1.059 72 G HN -0.074 8.213 8.290 -0.004 0.000 0.581 73 K N -2.436 117.961 120.400 -0.004 0.000 2.372 73 K HA 0.594 4.912 4.320 -0.003 0.000 0.251 73 K C -0.011 176.587 176.600 -0.003 0.000 1.055 73 K CA -0.122 56.163 56.287 -0.004 0.000 0.879 73 K CB 2.406 34.903 32.500 -0.004 0.000 1.384 73 K HN 0.541 8.789 8.250 -0.005 0.000 0.465 74 G N -0.247 108.551 108.800 -0.003 0.000 3.135 74 G HA2 0.725 4.683 3.960 -0.003 0.000 0.159 74 G HA3 0.725 4.683 3.960 -0.002 0.000 0.159 74 G C -1.650 173.248 174.900 -0.003 0.000 1.244 74 G CA -0.185 44.913 45.100 -0.003 0.000 0.965 74 G HN 0.341 8.629 8.290 -0.003 0.000 0.599 75 M N -2.790 116.809 119.600 -0.002 0.000 2.833 75 M HA 0.562 5.041 4.480 -0.002 0.000 0.270 75 M C -0.879 175.420 176.300 -0.002 0.000 1.209 75 M CA 0.092 55.391 55.300 -0.002 0.000 0.826 75 M CB 2.451 35.050 32.600 -0.002 0.000 1.657 75 M HN 0.852 9.141 8.290 -0.002 0.000 0.492 76 G N -0.132 108.667 108.800 -0.002 0.000 2.921 76 G HA2 0.976 4.935 3.960 -0.001 0.000 0.291 76 G HA3 0.976 4.935 3.960 -0.002 0.000 0.291 76 G C -2.434 172.465 174.900 -0.002 0.000 1.370 76 G CA -0.195 44.904 45.100 -0.002 0.000 0.847 76 G HN 0.919 9.208 8.290 -0.002 0.000 0.532 77 A N -2.623 120.196 122.820 -0.001 0.000 2.456 77 A HA 0.992 5.312 4.320 -0.001 0.000 0.294 77 A C -0.646 176.937 177.584 -0.001 0.000 1.057 77 A CA 0.285 52.321 52.037 -0.001 0.000 0.623 77 A CB 1.324 20.323 19.000 -0.001 0.000 1.338 77 A HN 2.384 10.534 8.150 -0.001 0.000 0.464 78 G N -1.052 107.747 108.800 -0.001 0.000 2.368 78 G HA2 0.626 4.585 3.960 -0.001 0.000 0.303 78 G HA3 0.626 4.585 3.960 -0.001 0.000 0.303 78 G C -1.363 173.536 174.900 -0.001 0.000 1.590 78 G CA 0.483 45.582 45.100 -0.001 0.000 0.938 78 G HN 1.204 9.493 8.290 -0.001 0.000 0.675 79 T N -0.973 113.581 114.554 -0.001 0.000 2.831 79 T HA 0.619 4.969 4.350 -0.001 0.000 0.333 79 T C -2.291 172.409 174.700 -0.001 0.000 1.684 79 T CA -0.363 61.736 62.100 -0.001 0.000 1.049 79 T CB 1.446 70.314 68.868 -0.001 0.000 1.518 79 T HN 0.668 8.907 8.240 -0.001 0.000 0.491 80 L N 3.664 124.887 121.223 -0.001 0.000 2.731 80 L HA 0.668 5.008 4.340 -0.001 0.000 0.256 80 L C -2.498 174.371 176.870 -0.001 0.000 0.947 80 L CA -0.072 54.768 54.840 -0.001 0.000 0.914 80 L CB 2.286 44.345 42.059 -0.001 0.000 1.470 80 L HN 0.580 8.810 8.230 -0.001 0.000 0.421 81 S N 2.268 117.968 115.700 -0.001 0.000 2.556 81 S HA 0.612 5.082 4.470 -0.001 0.000 0.280 81 S C -2.269 172.330 174.600 -0.001 0.000 1.141 81 S CA -0.180 58.020 58.200 -0.001 0.000 0.883 81 S CB 1.123 64.322 63.200 -0.001 0.000 1.103 81 S HN 0.531 8.841 8.310 -0.001 0.000 0.453 82 T N 2.337 116.890 114.554 -0.001 0.000 2.907 82 T HA 0.367 4.717 4.350 -0.000 0.000 0.344 82 T C -2.720 171.980 174.700 -0.000 0.000 1.675 82 T CA 0.144 62.243 62.100 -0.000 0.000 1.076 82 T CB 1.089 69.956 68.868 -0.000 0.000 1.483 82 T HN 0.334 8.573 8.240 -0.001 0.000 0.487 83 D N 2.511 122.911 120.400 -0.000 0.000 2.785 83 D HA 0.508 5.147 4.640 -0.000 0.000 0.239 83 D C -2.256 174.044 176.300 -0.000 0.000 1.142 83 D CA -0.748 53.252 54.000 -0.000 0.000 0.734 83 D CB 1.442 42.242 40.800 -0.000 0.000 1.820 83 D HN 0.343 8.713 8.370 -0.000 0.000 0.461 84 K N 0.971 121.371 120.400 -0.000 0.000 2.736 84 K HA 0.088 4.408 4.320 -0.000 0.000 0.290 84 K C -2.159 174.441 176.600 -0.000 0.000 1.033 84 K CA -0.525 55.762 56.287 -0.000 0.000 0.852 84 K CB 1.490 33.990 32.500 -0.000 0.000 1.494 84 K HN 0.399 8.649 8.250 -0.000 0.000 0.378 85 G N 1.851 110.651 108.800 -0.000 0.000 3.393 85 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.676 85 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.676 85 G C -1.916 172.983 174.900 -0.000 0.000 1.224 85 G CA -0.112 44.988 45.100 -0.000 0.000 1.109 85 G HN 0.392 8.682 8.290 0.000 0.000 0.519 86 E N 1.763 121.963 120.200 0.000 0.000 2.748 86 E HA -0.004 4.346 4.350 -0.000 0.000 0.320 86 E C -1.731 174.870 176.600 0.001 0.000 0.996 86 E CA -0.711 55.689 56.400 0.000 0.000 0.835 86 E CB 1.382 31.082 29.700 0.001 0.000 1.265 86 E HN 0.207 8.567 8.360 0.000 0.000 0.420 87 S N 2.685 118.385 115.700 0.001 0.000 2.604 87 S HA 0.381 4.853 4.470 0.002 0.000 0.296 87 S C -1.654 172.946 174.600 0.001 0.000 1.097 87 S CA -0.527 57.674 58.200 0.001 0.000 0.883 87 S CB 1.175 64.376 63.200 0.001 0.000 1.081 87 S HN -0.083 8.227 8.310 0.000 0.000 0.448 88 L N -0.564 120.660 121.223 0.002 0.000 2.789 88 L HA 0.985 5.325 4.340 0.001 0.000 0.258 88 L C -1.784 175.089 176.870 0.005 0.000 0.966 88 L CA 0.170 55.011 54.840 0.002 0.000 0.916 88 L CB 1.111 43.170 42.059 0.000 0.000 1.475 88 L HN 0.943 9.175 8.230 0.003 0.000 0.418 89 G N 1.269 110.072 108.800 0.005 0.000 2.387 89 G HA2 0.596 4.563 3.960 0.012 0.000 0.294 89 G HA3 0.596 4.563 3.960 0.012 0.000 0.294 89 G C -2.716 172.191 174.900 0.012 0.000 1.509 89 G CA -0.072 45.034 45.100 0.011 0.000 0.806 89 G HN 0.921 9.212 8.290 0.003 0.000 0.546 90 I N -0.827 119.756 120.570 0.022 0.000 2.793 90 I HA 0.648 4.835 4.170 0.028 0.000 0.295 90 I C -1.995 174.163 176.117 0.067 0.000 1.610 90 I CA -0.501 60.817 61.300 0.029 0.000 0.986 90 I CB 2.387 40.389 38.000 0.003 0.000 1.402 90 I HN 0.523 8.750 8.210 0.028 0.000 0.500 91 K N 4.272 124.734 120.400 0.103 0.000 2.597 91 K HA 0.538 5.011 4.320 0.255 0.000 0.282 91 K C -2.313 174.458 176.600 0.285 0.000 0.975 91 K CA -0.609 55.790 56.287 0.186 0.000 0.867 91 K CB 3.059 35.621 32.500 0.102 0.000 1.465 91 K HN 0.392 8.693 8.250 0.085 0.000 0.417 92 Y N -1.299 119.001 120.300 0.000 0.000 2.741 92 Y HA 0.497 5.047 4.550 0.000 0.000 0.339 92 Y C -2.352 173.548 175.900 0.001 0.000 1.226 92 Y CA -0.961 57.139 58.100 0.000 0.000 1.072 92 Y CB 1.451 39.911 38.460 -0.000 0.000 1.331 92 Y HN 0.500 8.966 8.280 0.309 0.000 0.453 93 E N 0.318 120.380 120.200 -0.231 0.000 2.447 93 E HA 0.570 4.562 4.350 -0.597 0.000 0.279 93 E C -2.082 174.434 176.600 -0.142 0.000 1.053 93 E CA -0.920 55.289 56.400 -0.317 0.000 0.840 93 E CB 3.720 33.313 29.700 -0.178 0.000 1.409 93 E HN 0.688 9.054 8.360 0.009 0.000 0.461 94 E N -0.962 119.162 120.200 -0.126 0.000 2.454 94 E HA 0.524 4.860 4.350 -0.023 0.000 0.279 94 E C -1.390 175.185 176.600 -0.043 0.000 1.029 94 E CA -0.765 55.605 56.400 -0.050 0.000 0.831 94 E CB 2.482 32.169 29.700 -0.021 0.000 1.405 94 E HN 0.533 8.799 8.360 -0.157 0.000 0.463 95 G N -0.054 108.734 108.800 -0.020 0.000 3.122 95 G HA2 0.519 4.470 3.960 -0.016 0.000 0.180 95 G HA3 0.519 4.476 3.960 -0.006 0.000 0.180 95 G C -1.648 173.246 174.900 -0.011 0.000 1.279 95 G CA 0.011 45.104 45.100 -0.013 0.000 0.987 95 G HN 0.291 8.575 8.290 -0.011 0.000 0.589 96 Q N -1.862 117.936 119.800 -0.002 0.000 2.702 96 Q HA 0.032 4.353 4.340 -0.031 0.000 0.289 96 Q C -1.834 174.165 176.000 -0.001 0.000 0.923 96 Q CA -0.226 55.565 55.803 -0.020 0.000 0.787 96 Q CB 1.490 30.207 28.738 -0.036 0.000 1.476 96 Q HN -0.070 8.206 8.270 0.010 0.000 0.402 97 S N 0.199 115.869 115.700 -0.050 0.000 2.667 97 S HA 0.616 5.130 4.470 0.073 0.000 0.292 97 S C -1.291 173.237 174.600 -0.119 0.000 1.126 97 S CA -0.672 57.523 58.200 -0.007 0.000 0.881 97 S CB 2.727 65.924 63.200 -0.004 0.000 1.132 97 S HN 0.419 8.665 8.310 -0.106 0.000 0.492 98 H N -0.087 118.981 119.070 -0.002 0.000 2.908 98 H HA 0.417 4.972 4.556 -0.002 0.000 0.350 98 H C -1.364 173.963 175.328 -0.002 0.000 1.217 98 H CA -0.691 55.355 56.048 -0.002 0.000 1.168 98 H CB 2.832 32.592 29.762 -0.003 0.000 1.891 98 H HN 0.316 8.688 8.280 0.154 0.000 0.566 99 R N 1.559 122.141 120.500 0.137 0.000 2.515 99 R HA 0.244 4.621 4.340 0.061 0.000 0.291 99 R C -2.407 173.933 176.300 0.066 0.000 1.046 99 R CA -1.532 54.610 56.100 0.071 0.000 0.914 99 R CB 1.834 32.155 30.300 0.034 0.000 1.191 99 R HN 0.485 8.866 8.270 0.185 0.000 0.435 100 P HA 0.315 4.753 4.420 0.031 0.000 0.277 100 P C -1.512 175.801 177.300 0.022 0.000 1.276 100 P CA -0.234 62.883 63.100 0.029 0.000 0.788 100 P CB 0.967 32.678 31.700 0.019 0.000 1.114 101 T N -1.088 113.475 114.554 0.015 0.000 2.912 101 T HA 0.220 4.578 4.350 0.012 0.000 0.288 101 T C -1.329 173.375 174.700 0.007 0.000 1.030 101 T CA -0.672 61.435 62.100 0.011 0.000 1.020 101 T CB 1.160 70.035 68.868 0.011 0.000 1.056 101 T HN 0.006 8.253 8.240 0.012 0.000 0.480 102 N N 3.144 121.848 118.700 0.006 0.000 2.319 102 N HA 0.493 5.235 4.740 0.004 0.000 0.305 102 N C -2.163 173.349 175.510 0.003 0.000 1.103 102 N CA -1.377 51.675 53.050 0.004 0.000 0.815 102 N CB 1.228 39.717 38.487 0.004 0.000 1.288 102 N HN 0.306 8.690 8.380 0.006 0.000 0.493 103 P HA 0.365 4.786 4.420 0.001 0.000 0.277 103 P C -1.661 175.640 177.300 0.000 0.000 1.276 103 P CA -0.532 62.569 63.100 0.001 0.000 0.788 103 P CB 1.091 32.790 31.700 -0.000 0.000 1.114 104 N N -2.399 116.301 118.700 -0.000 0.000 2.453 104 N HA 0.444 5.184 4.740 -0.000 0.000 0.290 104 N C -1.237 174.272 175.510 -0.001 0.000 1.250 104 N CA -0.320 52.730 53.050 -0.001 0.000 0.815 104 N CB 2.727 41.213 38.487 -0.001 0.000 1.381 104 N HN 0.332 8.712 8.380 -0.001 0.000 0.510 105 A N 0.379 123.198 122.820 -0.002 0.000 2.312 105 A HA 0.789 5.107 4.320 -0.002 0.000 0.310 105 A C -1.219 176.363 177.584 -0.003 0.000 1.139 105 A CA -0.127 51.909 52.037 -0.002 0.000 0.886 105 A CB 1.087 20.086 19.000 -0.002 0.000 1.350 105 A HN 0.424 8.573 8.150 -0.002 0.000 0.479 106 S N -0.713 114.985 115.700 -0.003 0.000 2.689 106 S HA 0.692 5.160 4.470 -0.004 0.000 0.306 106 S C -0.659 173.939 174.600 -0.004 0.000 1.104 106 S CA -0.329 57.869 58.200 -0.004 0.000 0.973 106 S CB 1.483 64.680 63.200 -0.004 0.000 1.121 106 S HN 0.351 8.659 8.310 -0.003 0.000 0.523 107 R N 0.087 120.584 120.500 -0.005 0.000 2.817 107 R HA 0.514 4.851 4.340 -0.005 0.000 0.268 107 R C -1.485 174.812 176.300 -0.006 0.000 1.027 107 R CA -0.926 55.170 56.100 -0.005 0.000 0.928 107 R CB 2.072 32.369 30.300 -0.005 0.000 1.228 107 R HN 0.451 8.718 8.270 -0.005 0.000 0.469 108 M N 0.249 119.845 119.600 -0.006 0.000 2.821 108 M HA 0.678 5.153 4.480 -0.008 0.000 0.304 108 M C -1.841 174.454 176.300 -0.008 0.000 1.233 108 M CA -0.106 55.189 55.300 -0.007 0.000 0.851 108 M CB 2.747 35.343 32.600 -0.007 0.000 1.723 108 M HN 0.575 8.861 8.290 -0.006 0.000 0.493 109 A N 0.881 123.695 122.820 -0.010 0.000 2.549 109 A HA 0.680 4.994 4.320 -0.010 0.000 0.291 109 A C -2.275 175.301 177.584 -0.013 0.000 1.034 109 A CA -0.379 51.652 52.037 -0.011 0.000 0.655 109 A CB 2.052 21.046 19.000 -0.011 0.000 1.299 109 A HN 0.475 8.619 8.150 -0.010 0.000 0.427 110 Q N -0.832 118.960 119.800 -0.014 0.000 2.776 110 Q HA 0.462 4.791 4.340 -0.018 0.000 0.248 110 Q C -2.207 173.782 176.000 -0.018 0.000 0.990 110 Q CA -0.223 55.571 55.803 -0.016 0.000 0.953 110 Q CB 2.587 31.316 28.738 -0.015 0.000 1.801 110 Q HN 0.504 8.766 8.270 -0.014 0.000 0.448 111 K N 1.958 122.345 120.400 -0.022 0.000 2.609 111 K HA 0.426 4.733 4.320 -0.022 0.000 0.261 111 K C -2.036 174.545 176.600 -0.031 0.000 0.945 111 K CA -0.324 55.949 56.287 -0.024 0.000 0.898 111 K CB 1.796 34.282 32.500 -0.023 0.000 1.349 111 K HN 0.411 8.646 8.250 -0.024 0.000 0.420 112 V N -1.051 118.844 119.914 -0.033 0.000 3.167 112 V HA 0.533 4.624 4.120 -0.048 0.000 0.310 112 V C -1.830 174.238 176.094 -0.043 0.000 1.207 112 V CA -0.900 61.375 62.300 -0.041 0.000 1.059 112 V CB 1.987 33.787 31.823 -0.038 0.000 1.079 112 V HN 0.310 8.483 8.190 -0.028 0.000 0.446 113 G N 0.666 109.433 108.800 -0.054 0.000 2.815 113 G HA2 0.158 4.097 3.960 -0.035 0.000 0.305 113 G HA3 0.158 4.078 3.960 -0.067 0.000 0.305 113 G C -1.208 173.662 174.900 -0.051 0.000 1.277 113 G CA -0.396 44.673 45.100 -0.052 0.000 0.795 113 G HN -0.122 8.131 8.290 -0.062 0.000 0.528 114 G N -0.554 108.223 108.800 -0.038 0.000 3.229 114 G HA2 -0.026 3.918 3.960 -0.026 0.000 0.165 114 G HA3 -0.026 3.942 3.960 0.014 0.000 0.165 114 G C -0.261 174.615 174.900 -0.041 0.000 1.753 114 G CA -0.172 44.916 45.100 -0.020 0.000 1.054 114 G HN 0.212 8.485 8.290 -0.028 0.000 0.544 115 S N 0.746 116.461 115.700 0.025 0.000 3.650 115 S HA -0.323 4.251 4.470 0.172 0.000 0.800 115 S C -1.137 173.444 174.600 -0.032 0.000 1.435 115 S CA 1.211 59.439 58.200 0.047 0.000 1.244 115 S CB 0.107 63.232 63.200 -0.124 0.000 0.437 115 S HN -0.132 8.226 8.310 0.080 0.000 0.571 116 D N 0.241 120.622 120.400 -0.032 0.000 3.057 116 D HA 0.241 4.822 4.640 -0.099 0.000 0.328 116 D C -1.776 174.464 176.300 -0.099 0.000 1.317 116 D CA -0.266 53.677 54.000 -0.094 0.000 0.973 116 D CB 2.667 43.381 40.800 -0.145 0.000 1.424 116 D HN 0.139 8.523 8.370 0.022 0.000 0.569 117 G N -2.159 106.546 108.800 -0.158 0.000 2.730 117 G HA2 0.387 4.281 3.960 -0.113 0.000 0.289 117 G HA3 0.387 4.272 3.960 -0.125 0.000 0.289 117 G C -2.066 172.675 174.900 -0.264 0.000 1.341 117 G CA -1.125 43.879 45.100 -0.159 0.000 0.932 117 G HN -0.074 8.096 8.290 -0.200 0.000 0.481 118 C N 1.770 120.910 119.300 -0.265 0.000 2.225 118 C HA 0.668 4.940 4.460 -0.313 0.000 0.328 118 C C -0.933 174.005 174.990 -0.088 0.000 1.187 118 C CA -3.731 55.117 59.018 -0.284 0.000 1.665 118 C CB -0.128 27.284 27.740 -0.546 0.000 2.253 118 C HN 0.420 8.424 8.230 -0.168 0.125 0.497 119 P HA 0.065 4.453 4.420 -0.054 0.000 0.237 119 P C -0.457 176.918 177.300 0.125 0.000 1.178 119 P CA 1.272 64.343 63.100 -0.050 0.000 0.766 119 P CB -0.029 31.533 31.700 -0.229 0.000 0.876 120 R N -0.586 120.053 120.500 0.232 0.000 2.046 120 R HA -0.073 4.414 4.340 0.246 0.000 0.223 120 R C 1.557 177.954 176.300 0.163 0.000 1.179 120 R CA 1.790 58.038 56.100 0.247 0.000 0.952 120 R CB 0.408 30.890 30.300 0.302 0.000 0.843 120 R HN -0.190 8.156 8.270 0.235 0.065 0.439 121 C N -5.409 113.999 119.300 0.181 0.000 2.505 121 C HA 0.411 4.943 4.460 0.120 0.000 0.279 121 C C 1.456 176.513 174.990 0.113 0.000 1.316 121 C CA 0.124 59.232 59.018 0.150 0.000 1.720 121 C CB 2.139 29.995 27.740 0.192 0.000 2.050 121 C HN -0.345 8.023 8.230 0.230 0.000 0.493 122 G N 0.522 109.388 108.800 0.109 0.000 2.428 122 G HA2 -0.242 3.774 3.960 0.034 0.000 0.199 122 G HA3 -0.242 3.751 3.960 0.056 0.000 0.199 122 G C -0.409 174.532 174.900 0.069 0.000 1.005 122 G CA -0.251 44.887 45.100 0.063 0.000 0.671 122 G HN 0.089 8.371 8.290 0.125 0.083 0.485 123 Q N 1.175 121.060 119.800 0.141 0.000 3.026 123 Q HA -0.061 4.338 4.340 0.099 0.000 0.195 123 Q C -0.516 175.561 176.000 0.129 0.000 1.160 123 Q CA 0.436 56.338 55.803 0.165 0.000 1.225 123 Q CB 0.897 29.781 28.738 0.243 0.000 1.328 123 Q HN -0.496 7.828 8.270 0.185 0.058 0.696 124 A N -2.400 120.506 122.820 0.144 0.000 2.269 124 A HA 0.077 4.401 4.320 0.006 0.000 0.319 124 A C -2.039 175.642 177.584 0.162 0.000 1.110 124 A CA -0.599 51.488 52.037 0.084 0.000 0.847 124 A CB 1.943 20.980 19.000 0.061 0.000 1.161 124 A HN 0.302 8.547 8.150 0.158 0.000 0.497 125 V N -0.883 119.065 119.914 0.057 0.000 2.623 125 V HA 0.280 4.539 4.120 0.233 0.000 0.304 125 V C -1.600 174.600 176.094 0.176 0.000 1.054 125 V CA -0.623 61.726 62.300 0.081 0.000 0.882 125 V CB 3.589 35.317 31.823 -0.158 0.000 1.002 125 V HN 0.764 8.854 8.190 0.009 0.105 0.424 126 Y N 7.634 127.952 120.300 0.030 0.000 2.364 126 Y HA -0.117 4.428 4.550 -0.009 0.000 0.326 126 Y C -1.909 174.004 175.900 0.021 0.000 1.178 126 Y CA 0.360 58.466 58.100 0.010 0.000 1.422 126 Y CB 0.407 38.871 38.460 0.007 0.000 1.178 126 Y HN -0.262 8.146 8.280 0.214 0.000 0.475 127 A N 5.818 128.521 122.820 -0.195 0.000 6.560 127 A HA -0.316 3.912 4.320 -0.153 0.000 0.337 127 A C -0.788 176.726 177.584 -0.117 0.000 1.915 127 A CA 1.159 53.052 52.037 -0.241 0.000 0.634 127 A CB -0.378 18.328 19.000 -0.491 0.000 1.742 127 A HN 0.115 8.226 8.150 -0.065 0.000 0.412 128 A N -0.929 121.836 122.820 -0.091 0.000 1.470 128 A HA -0.273 4.020 4.320 -0.045 0.000 0.224 128 A C -0.466 177.117 177.584 -0.001 0.000 0.453 128 A CA 2.095 54.107 52.037 -0.042 0.000 1.102 128 A CB -1.054 17.924 19.000 -0.037 0.000 1.462 128 A HN 0.520 8.608 8.150 -0.103 0.000 0.719 129 E N -2.631 117.591 120.200 0.037 0.000 4.230 129 E HA 0.134 4.520 4.350 0.059 0.000 0.218 129 E C -2.832 173.854 176.600 0.143 0.000 1.140 129 E CA -0.747 55.706 56.400 0.088 0.000 1.405 129 E CB 0.568 30.321 29.700 0.089 0.000 1.193 129 E HN 0.110 8.413 8.360 0.043 0.083 0.423 130 K N 2.558 122.996 120.400 0.064 0.000 2.274 130 K HA 0.347 4.797 4.320 0.042 -0.104 0.262 130 K C -2.001 174.598 176.600 -0.003 0.000 0.961 130 K CA -0.848 55.458 56.287 0.031 0.000 0.833 130 K CB 2.355 34.864 32.500 0.014 0.000 1.102 130 K HN -0.266 8.000 8.250 0.027 0.000 0.436 131 V N 4.891 124.779 119.914 -0.043 0.000 2.735 131 V HA 0.421 4.512 4.120 -0.049 0.000 0.310 131 V C -3.069 172.934 176.094 -0.151 0.000 1.061 131 V CA -2.290 59.947 62.300 -0.104 0.000 0.913 131 V CB 3.748 35.480 31.823 -0.152 0.000 1.005 131 V HN 0.917 8.979 8.190 -0.053 0.096 0.428 132 I N 5.565 126.070 120.570 -0.107 0.000 2.410 132 I HA 0.752 5.108 4.170 -0.056 -0.219 0.286 132 I C -0.929 175.204 176.117 0.026 0.000 1.009 132 I CA -1.466 59.805 61.300 -0.049 0.000 1.111 132 I CB 2.452 40.438 38.000 -0.024 0.000 1.262 132 I HN 0.265 8.439 8.210 -0.060 0.000 0.443 133 G N 3.947 112.841 108.800 0.157 0.000 2.704 133 G HA2 0.429 4.532 3.960 0.238 0.000 0.293 133 G HA3 0.429 4.726 3.960 0.562 0.000 0.293 133 G C -1.340 173.847 174.900 0.478 0.000 1.421 133 G CA -0.516 44.795 45.100 0.352 0.000 0.870 133 G HN 0.542 8.915 8.290 0.304 0.100 0.492 134 A N 0.118 123.126 122.820 0.314 0.000 2.783 134 A HA -0.435 4.182 4.320 0.166 -0.198 0.292 134 A C 0.506 178.231 177.584 0.236 0.000 1.495 134 A CA 0.580 52.776 52.037 0.265 0.000 0.787 134 A CB -1.215 17.978 19.000 0.322 0.000 1.017 134 A HN 0.481 8.848 8.150 0.223 -0.083 0.516 135 G N -6.813 102.083 108.800 0.161 0.000 2.323 135 G HA2 -0.430 3.560 3.960 0.051 0.000 0.292 135 G HA3 -0.430 3.566 3.960 0.060 0.000 0.292 135 G C -0.845 174.065 174.900 0.018 0.000 1.040 135 G CA 0.457 45.603 45.100 0.076 0.000 0.942 135 G HN 0.444 8.816 8.290 0.153 0.009 0.506 136 K N -2.181 118.235 120.400 0.027 0.000 2.578 136 K HA 0.358 4.481 4.320 -0.328 0.000 0.287 136 K C -1.970 174.358 176.600 -0.455 0.000 1.010 136 K CA -1.487 54.613 56.287 -0.311 0.000 0.889 136 K CB 4.336 36.489 32.500 -0.577 0.000 1.514 136 K HN -0.228 8.017 8.250 0.163 0.104 0.424 137 S N -1.011 114.168 115.700 -0.868 0.000 2.532 137 S HA 1.127 5.619 4.470 -0.325 -0.216 0.301 137 S C -0.466 173.577 174.600 -0.929 0.000 1.083 137 S CA -1.288 56.529 58.200 -0.637 0.000 1.025 137 S CB 2.619 65.613 63.200 -0.343 0.000 1.056 137 S HN 0.288 8.057 8.310 -0.901 0.000 0.494 138 W N -3.064 117.982 121.300 -0.423 0.000 2.926 138 W HA 0.298 4.714 4.660 -0.407 0.000 0.361 138 W C -2.126 174.192 176.519 -0.335 0.000 1.195 138 W CA -1.162 55.949 57.345 -0.390 0.000 1.177 138 W CB 0.773 30.081 29.460 -0.252 0.000 1.453 138 W HN 0.821 8.980 8.180 -0.035 0.000 0.571 139 H N 1.479 120.666 119.070 0.196 0.000 2.767 139 H HA 0.285 5.159 4.556 0.075 -0.273 0.316 139 H C 1.282 176.683 175.328 0.122 0.000 1.059 139 H CA -0.109 56.009 56.048 0.115 0.000 1.461 139 H CB 0.410 30.233 29.762 0.102 0.000 1.475 139 H HN -0.031 8.280 8.280 0.051 0.000 0.531 140 K N 6.830 127.350 120.400 0.200 0.000 2.360 140 K HA -0.382 4.058 4.320 0.199 0.000 0.201 140 K C 0.402 177.100 176.600 0.163 0.000 1.046 140 K CA 3.121 59.508 56.287 0.166 0.000 0.940 140 K CB -0.136 32.428 32.500 0.106 0.000 0.748 140 K HN -0.132 8.120 8.250 0.181 0.107 0.465 141 S N -1.785 114.011 115.700 0.160 0.000 2.356 141 S HA -0.089 4.426 4.470 0.075 0.000 0.219 141 S C 1.242 175.910 174.600 0.114 0.000 1.036 141 S CA 2.422 60.684 58.200 0.104 0.000 0.965 141 S CB -0.108 63.129 63.200 0.061 0.000 0.864 141 S HN 0.074 8.454 8.310 0.200 0.050 0.471 142 C N 1.259 120.666 119.300 0.179 0.000 2.473 142 C HA -0.139 4.383 4.460 0.103 0.000 0.279 142 C C 1.254 176.320 174.990 0.127 0.000 1.250 142 C CA 2.070 61.184 59.018 0.161 0.000 1.713 142 C CB -1.045 26.841 27.740 0.243 0.000 2.066 142 C HN -0.098 8.223 8.230 0.253 0.061 0.474 143 F N 3.524 123.441 119.950 -0.056 0.000 2.224 143 F HA -0.291 3.979 4.527 -0.429 0.000 0.374 143 F C -1.409 174.260 175.800 -0.219 0.000 1.019 143 F CA 0.511 58.355 58.000 -0.260 0.000 0.917 143 F CB -0.388 38.456 39.000 -0.260 0.000 0.799 143 F HN 0.128 8.533 8.300 0.344 0.102 0.506 144 R N 4.368 124.640 120.500 -0.380 0.000 2.869 144 R HA 0.184 4.422 4.340 -0.337 -0.100 0.263 144 R C -2.171 173.879 176.300 -0.417 0.000 1.066 144 R CA -2.622 53.278 56.100 -0.334 0.000 0.960 144 R CB 2.671 32.877 30.300 -0.157 0.000 1.221 144 R HN -0.240 7.806 8.270 -0.372 0.000 0.474 145 C N 0.179 119.311 119.300 -0.280 0.000 2.629 145 C HA -0.079 4.307 4.460 -0.328 -0.123 0.410 145 C C -0.056 174.850 174.990 -0.140 0.000 1.339 145 C CA -0.092 58.799 59.018 -0.212 0.000 1.810 145 C CB 1.178 28.870 27.740 -0.081 0.000 2.549 145 C HN 0.382 8.359 8.230 -0.206 0.129 0.589 146 A N 7.276 129.996 122.820 -0.168 0.000 2.503 146 A HA 0.092 4.370 4.320 -0.070 0.000 0.263 146 A C -0.920 176.755 177.584 0.152 0.000 1.360 146 A CA 0.751 52.750 52.037 -0.063 0.000 0.969 146 A CB -0.845 18.039 19.000 -0.193 0.000 1.000 146 A HN 0.424 8.357 8.150 -0.361 0.000 0.530 147 K N -3.792 116.694 120.400 0.143 0.000 2.703 147 K HA 0.128 4.502 4.320 0.090 0.000 0.196 147 K C -0.064 176.553 176.600 0.027 0.000 1.457 147 K CA 1.463 57.811 56.287 0.101 0.000 1.115 147 K CB 1.954 34.506 32.500 0.087 0.000 1.661 147 K HN -0.361 7.825 8.250 0.082 0.114 0.552 148 C N -4.576 114.732 119.300 0.013 0.000 3.097 148 C HA 0.545 5.000 4.460 -0.009 0.000 0.335 148 C C 1.176 176.156 174.990 -0.018 0.000 1.283 148 C CA -0.753 58.260 59.018 -0.009 0.000 1.778 148 C CB 2.904 30.634 27.740 -0.017 0.000 2.365 148 C HN -0.275 7.969 8.230 0.022 0.000 0.627 149 G N 1.904 110.687 108.800 -0.029 0.000 2.195 149 G HA2 -0.396 3.662 3.960 -0.057 0.000 0.246 149 G HA3 -0.396 3.546 3.960 -0.030 0.000 0.246 149 G C -1.101 173.764 174.900 -0.057 0.000 0.984 149 G CA -0.080 44.994 45.100 -0.044 0.000 0.633 149 G HN 0.060 8.235 8.290 -0.028 0.099 0.525 150 K N 1.773 122.140 120.400 -0.054 0.000 2.453 150 K HA -0.161 4.133 4.320 -0.044 0.000 0.280 150 K C 0.290 176.836 176.600 -0.089 0.000 1.045 150 K CA 0.425 56.678 56.287 -0.057 0.000 1.059 150 K CB 0.430 32.903 32.500 -0.045 0.000 0.901 150 K HN -0.658 7.486 8.250 -0.044 0.079 0.475 151 S N 3.216 118.872 115.700 -0.073 0.000 2.559 151 S HA -0.294 4.104 4.470 -0.119 0.000 0.282 151 S C -0.330 174.203 174.600 -0.111 0.000 1.336 151 S CA 1.964 60.112 58.200 -0.086 0.000 1.037 151 S CB 0.409 63.589 63.200 -0.034 0.000 0.853 151 S HN 0.123 8.403 8.310 -0.049 0.000 0.523 152 L N 2.198 123.323 121.223 -0.163 0.000 2.293 152 L HA 0.288 4.555 4.340 -0.122 0.000 0.264 152 L C -1.317 175.538 176.870 -0.026 0.000 1.029 152 L CA -1.561 53.178 54.840 -0.168 0.000 0.897 152 L CB 1.731 43.555 42.059 -0.392 0.000 1.497 152 L HN 0.197 8.315 8.230 -0.187 0.000 0.495 153 E N -2.168 118.040 120.200 0.014 0.000 3.596 153 E HA 0.173 4.599 4.350 0.127 0.000 0.188 153 E C -0.879 175.815 176.600 0.157 0.000 1.232 153 E CA 0.356 56.812 56.400 0.093 0.000 1.460 153 E CB 3.620 33.348 29.700 0.046 0.000 1.513 153 E HN 0.148 8.488 8.360 -0.033 0.000 0.530 154 S N -4.409 111.351 115.700 0.100 0.000 5.323 154 S HA 0.105 4.702 4.470 0.211 0.000 0.152 154 S C 0.238 174.873 174.600 0.058 0.000 1.116 154 S CA 0.627 58.898 58.200 0.119 0.000 1.363 154 S CB 0.390 63.645 63.200 0.091 0.000 1.891 154 S HN -0.378 7.960 8.310 0.048 0.000 0.543 155 T N 2.803 117.380 114.554 0.037 0.000 2.668 155 T HA -0.191 4.175 4.350 0.027 0.000 0.258 155 T C 1.287 175.989 174.700 0.005 0.000 1.051 155 T CA 3.394 65.509 62.100 0.024 0.000 1.155 155 T CB 0.557 69.443 68.868 0.029 0.000 0.864 155 T HN 0.207 8.470 8.240 0.039 0.000 0.413 156 T N -0.135 114.420 114.554 0.002 0.000 2.848 156 T HA -0.283 4.072 4.350 0.008 0.000 0.269 156 T C 0.280 174.952 174.700 -0.047 0.000 1.081 156 T CA 1.546 63.640 62.100 -0.010 0.000 1.125 156 T CB 0.263 69.124 68.868 -0.012 0.000 0.848 156 T HN 0.023 8.269 8.240 0.009 0.000 0.503 157 L N -1.519 119.655 121.223 -0.081 0.000 2.476 157 L HA 0.300 4.678 4.340 -0.193 -0.153 0.255 157 L C -1.005 175.746 176.870 -0.198 0.000 1.218 157 L CA 0.428 55.166 54.840 -0.171 0.000 0.819 157 L CB 1.083 43.004 42.059 -0.230 0.000 1.119 157 L HN -0.739 7.322 8.230 -0.049 0.140 0.485 158 A N 0.536 123.185 122.820 -0.284 0.000 2.446 158 A HA 0.336 4.293 4.320 -0.605 0.000 0.282 158 A C -1.620 175.754 177.584 -0.350 0.000 1.102 158 A CA -1.095 50.633 52.037 -0.515 0.000 0.737 158 A CB 2.424 21.015 19.000 -0.682 0.000 1.212 158 A HN 0.224 8.201 8.150 -0.288 0.000 0.434 159 D N 3.283 123.514 120.400 -0.282 0.000 2.365 159 D HA 0.117 4.909 4.640 -0.102 -0.213 0.237 159 D C -0.212 176.108 176.300 0.034 0.000 1.190 159 D CA -1.970 51.982 54.000 -0.080 0.000 0.867 159 D CB -0.177 40.636 40.800 0.023 0.000 1.050 159 D HN 0.036 8.222 8.370 -0.306 0.000 0.491 160 K N 3.766 124.267 120.400 0.168 0.000 2.244 160 K HA 0.038 4.573 4.320 0.359 0.000 0.263 160 K C -0.568 176.180 176.600 0.246 0.000 1.103 160 K CA -1.623 54.870 56.287 0.344 0.000 0.966 160 K CB 0.198 33.067 32.500 0.615 0.000 1.429 160 K HN 0.091 8.290 8.250 0.117 0.121 0.434 161 D N 3.105 123.616 120.400 0.185 0.000 2.740 161 D HA -0.297 4.415 4.640 0.120 0.000 0.231 161 D C 0.435 176.817 176.300 0.138 0.000 1.194 161 D CA 1.777 55.862 54.000 0.142 0.000 0.673 161 D CB -0.411 40.468 40.800 0.132 0.000 0.995 161 D HN 0.619 9.097 8.370 0.180 0.000 0.411 162 G N -2.057 106.827 108.800 0.140 0.000 2.729 162 G HA2 -0.395 3.680 3.960 0.191 0.000 0.216 162 G HA3 -0.395 3.653 3.960 0.147 0.000 0.216 162 G C -0.218 174.774 174.900 0.153 0.000 1.252 162 G CA -0.140 45.059 45.100 0.164 0.000 0.751 162 G HN -0.024 8.349 8.290 0.138 0.000 0.527 163 E N 1.603 121.853 120.200 0.084 0.000 2.447 163 E HA -0.133 4.142 4.350 -0.125 0.000 0.259 163 E C -0.433 175.945 176.600 -0.371 0.000 1.196 163 E CA 1.280 57.603 56.400 -0.127 0.000 0.995 163 E CB 0.701 30.412 29.700 0.017 0.000 0.974 163 E HN -0.105 8.213 8.360 0.136 0.123 0.465 164 I N -4.786 115.246 120.570 -0.897 0.000 2.569 164 I HA 0.904 4.970 4.170 -0.571 -0.238 0.290 164 I C -2.046 173.354 176.117 -1.195 0.000 1.088 164 I CA -1.584 59.193 61.300 -0.873 0.000 1.047 164 I CB 3.617 41.089 38.000 -0.880 0.000 1.237 164 I HN -0.223 7.319 8.210 -1.114 0.000 0.421 165 Y N 2.433 122.558 120.300 -0.292 0.000 2.896 165 Y HA 0.439 4.849 4.550 -0.233 0.000 0.317 165 Y C -1.345 174.418 175.900 -0.228 0.000 1.444 165 Y CA -0.923 57.042 58.100 -0.226 0.000 1.084 165 Y CB 4.134 42.516 38.460 -0.130 0.000 1.382 165 Y HN 0.263 8.245 8.280 -0.320 0.106 0.471 166 C N -3.147 116.174 119.300 0.035 0.000 2.364 166 C HA 0.508 4.923 4.460 -0.076 0.000 0.356 166 C C 1.161 176.168 174.990 0.028 0.000 1.201 166 C CA -2.576 56.428 59.018 -0.022 0.000 2.227 166 C CB 3.012 30.733 27.740 -0.032 0.000 2.387 166 C HN 0.443 8.731 8.230 0.097 0.000 0.546 167 K N 4.402 124.817 120.400 0.026 0.000 2.089 167 K HA -0.466 3.955 4.320 0.168 0.000 0.210 167 K C 1.935 178.581 176.600 0.077 0.000 1.048 167 K CA 4.273 60.615 56.287 0.091 0.000 0.926 167 K CB -0.241 32.300 32.500 0.068 0.000 0.714 167 K HN 0.375 8.623 8.250 -0.004 0.000 0.448 168 G N -3.434 105.380 108.800 0.023 0.000 2.450 168 G HA2 -0.266 3.691 3.960 -0.005 0.000 0.220 168 G HA3 -0.266 3.685 3.960 -0.016 0.000 0.220 168 G C 1.319 176.194 174.900 -0.043 0.000 1.130 168 G CA 1.953 47.048 45.100 -0.008 0.000 0.760 168 G HN 0.206 8.505 8.290 0.012 -0.003 0.557 169 C N 2.664 121.940 119.300 -0.040 0.000 2.522 169 C HA -0.033 4.330 4.460 -0.162 0.000 0.280 169 C C 1.634 176.499 174.990 -0.208 0.000 1.303 169 C CA 3.068 62.009 59.018 -0.129 0.000 1.709 169 C CB -1.798 25.881 27.740 -0.102 0.000 2.071 169 C HN 0.327 8.393 8.230 -0.001 0.164 0.492 170 Y N 1.028 121.191 120.300 -0.229 0.000 2.256 170 Y HA -0.461 3.819 4.550 -0.450 0.000 0.288 170 Y C 1.727 177.484 175.900 -0.238 0.000 1.155 170 Y CA 2.481 60.440 58.100 -0.236 0.000 1.203 170 Y CB -0.475 37.999 38.460 0.023 0.000 0.980 170 Y HN 0.362 8.568 8.280 0.154 0.167 0.530 171 A N -1.338 121.434 122.820 -0.080 0.000 1.835 171 A HA -0.250 4.030 4.320 -0.067 0.000 0.213 171 A C 2.002 179.490 177.584 -0.159 0.000 1.210 171 A CA 2.257 54.242 52.037 -0.086 0.000 0.605 171 A CB -0.528 18.464 19.000 -0.013 0.000 0.860 171 A HN 0.462 8.501 8.150 0.003 0.113 0.447 172 K N -0.470 119.834 120.400 -0.160 0.000 2.000 172 K HA -0.428 3.831 4.320 -0.101 0.000 0.218 172 K C 2.469 178.917 176.600 -0.253 0.000 1.053 172 K CA 3.150 59.341 56.287 -0.160 0.000 0.946 172 K CB -0.436 31.983 32.500 -0.135 0.000 0.723 172 K HN -0.255 7.816 8.250 -0.126 0.103 0.446 173 N N -1.430 116.992 118.700 -0.464 0.000 2.144 173 N HA -0.290 4.207 4.740 -0.406 0.000 0.195 173 N C 0.872 176.086 175.510 -0.493 0.000 1.006 173 N CA 2.817 55.458 53.050 -0.681 0.000 0.880 173 N CB 0.231 37.922 38.487 -1.327 0.000 1.018 173 N HN 0.080 8.074 8.380 -0.467 0.106 0.443 174 F N -2.876 116.996 119.950 -0.130 0.000 2.627 174 F HA 0.167 4.631 4.527 -0.105 0.000 0.329 174 F C -0.457 175.280 175.800 -0.106 0.000 1.378 174 F CA -2.698 55.222 58.000 -0.133 0.000 1.134 174 F CB -0.942 37.931 39.000 -0.211 0.000 1.229 174 F HN -0.587 7.237 8.300 -0.587 0.124 0.537 175 G N 0.960 109.776 108.800 0.027 0.000 2.504 175 G HA2 0.257 4.222 3.960 0.009 0.000 0.288 175 G HA3 0.257 4.210 3.960 -0.012 0.000 0.288 175 G C -1.675 173.238 174.900 0.022 0.000 1.182 175 G CA -1.283 43.823 45.100 0.009 0.000 0.894 175 G HN -0.300 7.986 8.290 -0.006 0.000 0.521 176 P HA 0.217 4.649 4.420 0.020 0.000 0.277 176 P C -1.053 176.260 177.300 0.022 0.000 1.276 176 P CA -0.737 62.377 63.100 0.022 0.000 0.788 176 P CB 0.920 32.637 31.700 0.029 0.000 1.114 177 K N -2.083 118.329 120.400 0.021 0.000 2.148 177 K HA 0.191 4.517 4.320 0.010 0.000 0.239 177 K C -0.661 175.969 176.600 0.050 0.000 1.018 177 K CA -0.515 55.780 56.287 0.012 0.000 0.923 177 K CB 0.939 33.423 32.500 -0.027 0.000 1.117 177 K HN -0.068 8.195 8.250 0.021 0.000 0.477 178 G N -0.772 108.057 108.800 0.049 0.000 2.612 178 G HA2 0.270 4.364 3.960 0.224 0.000 0.298 178 G HA3 0.270 4.303 3.960 0.122 0.000 0.298 178 G C -1.742 173.237 174.900 0.131 0.000 1.336 178 G CA -0.286 44.896 45.100 0.138 0.000 0.953 178 G HN -0.095 8.203 8.290 0.014 0.000 0.482 179 F N -0.258 119.713 119.950 0.035 0.000 2.406 179 F HA 0.156 4.709 4.527 0.044 0.000 0.327 179 F C 0.963 176.823 175.800 0.100 0.000 1.153 179 F CA -0.391 57.640 58.000 0.052 0.000 1.218 179 F CB 1.154 40.178 39.000 0.041 0.000 1.215 179 F HN -0.208 8.469 8.300 0.628 0.000 0.570 180 G N 0.284 109.241 108.800 0.263 0.000 2.552 180 G HA2 0.562 4.746 3.960 0.374 0.000 0.324 180 G HA3 0.562 4.614 3.960 0.152 0.000 0.324 180 G C -2.111 173.016 174.900 0.378 0.000 1.217 180 G CA -0.484 44.786 45.100 0.283 0.000 0.989 180 G HN 0.369 8.775 8.290 0.193 0.000 0.490 181 F N -2.437 117.546 119.950 0.055 0.000 2.715 181 F HA 0.939 5.499 4.527 0.054 0.000 0.318 181 F C -0.046 175.771 175.800 0.027 0.000 1.141 181 F CA -1.325 56.702 58.000 0.045 0.000 0.950 181 F CB 1.510 40.533 39.000 0.039 0.000 1.374 181 F HN 0.824 9.255 8.300 0.220 0.000 0.477 182 G N -0.291 108.478 108.800 -0.052 0.000 2.975 182 G HA2 0.594 4.330 3.960 -0.374 0.000 0.291 182 G HA3 0.594 4.494 3.960 -0.100 0.000 0.291 182 G C -2.571 172.320 174.900 -0.015 0.000 1.334 182 G CA -0.922 44.080 45.100 -0.163 0.000 0.843 182 G HN 0.812 9.204 8.290 0.169 0.000 0.548 183 Q N -1.872 117.910 119.800 -0.030 0.000 2.484 183 Q HA 0.763 5.136 4.340 0.056 0.000 0.285 183 Q C -0.290 175.714 176.000 0.007 0.000 1.097 183 Q CA -0.645 55.166 55.803 0.014 0.000 0.802 183 Q CB 2.296 31.037 28.738 0.007 0.000 1.444 183 Q HN 0.791 9.024 8.270 -0.061 0.000 0.429 184 G N -0.756 108.054 108.800 0.016 0.000 3.119 184 G HA2 0.841 4.803 3.960 0.003 0.000 0.206 184 G HA3 0.841 4.808 3.960 0.012 0.000 0.206 184 G C -2.005 172.897 174.900 0.003 0.000 1.313 184 G CA -1.178 43.927 45.100 0.008 0.000 1.010 184 G HN 0.690 8.995 8.290 0.025 0.000 0.578 185 A N -1.478 121.342 122.820 0.000 0.000 2.500 185 A HA 0.228 4.547 4.320 -0.002 0.000 0.291 185 A C -0.407 177.174 177.584 -0.006 0.000 1.048 185 A CA 0.311 52.346 52.037 -0.004 0.000 0.791 185 A CB 0.670 19.665 19.000 -0.009 0.000 1.309 185 A HN -0.109 8.042 8.150 0.001 0.000 0.397 186 G N 1.993 110.790 108.800 -0.007 0.000 3.048 186 G HA2 -0.014 3.942 3.960 -0.006 0.000 0.151 186 G HA3 -0.014 3.941 3.960 -0.007 0.000 0.151 186 G C -0.789 174.101 174.900 -0.016 0.000 1.803 186 G CA 0.102 45.197 45.100 -0.009 0.000 1.047 186 G HN 0.249 8.536 8.290 -0.005 0.000 0.513 187 A N -2.045 120.763 122.820 -0.020 0.000 2.597 187 A HA 0.581 4.879 4.320 -0.038 0.000 0.292 187 A C -1.361 176.203 177.584 -0.034 0.000 1.057 187 A CA -0.175 51.844 52.037 -0.031 0.000 0.674 187 A CB 1.419 20.403 19.000 -0.027 0.000 1.278 187 A HN 0.851 8.991 8.150 -0.016 0.000 0.416 188 L N -0.909 120.282 121.223 -0.054 0.000 2.389 188 L HA 0.945 5.265 4.340 -0.034 0.000 0.249 188 L C -1.360 175.464 176.870 -0.076 0.000 1.083 188 L CA -1.033 53.773 54.840 -0.056 0.000 0.876 188 L CB 1.275 43.300 42.059 -0.057 0.000 1.489 188 L HN 0.739 8.927 8.230 -0.071 0.000 0.412 189 I N -2.968 117.570 120.570 -0.053 0.000 3.067 189 I HA 0.637 4.771 4.170 -0.061 0.000 0.312 189 I C -1.143 174.982 176.117 0.013 0.000 1.073 189 I CA -0.649 60.632 61.300 -0.032 0.000 1.016 189 I CB 2.580 40.584 38.000 0.006 0.000 1.227 189 I HN 0.518 8.711 8.210 -0.027 0.000 0.456 190 H N 0.965 120.035 119.070 0.001 0.000 2.651 190 H HA 0.622 5.178 4.556 0.001 0.000 0.353 190 H C -1.474 173.854 175.328 0.001 0.000 1.178 190 H CA -1.264 54.784 56.048 0.001 0.000 1.224 190 H CB 2.133 31.896 29.762 0.000 0.000 1.702 190 H HN 0.580 8.931 8.280 0.118 0.000 0.550 191 S N 1.129 116.893 115.700 0.107 0.000 2.583 191 S HA -0.036 4.452 4.470 0.030 0.000 0.294 191 S C -1.854 172.733 174.600 -0.023 0.000 1.121 191 S CA -0.249 57.970 58.200 0.032 0.000 0.910 191 S CB 1.093 64.316 63.200 0.039 0.000 1.102 191 S HN 0.347 8.687 8.310 0.050 0.000 0.451 192 Q N 0.000 119.781 119.800 -0.031 0.000 2.315 192 Q HA 0.000 4.317 4.340 -0.038 0.000 0.214 192 Q CA 0.000 55.777 55.803 -0.043 0.000 1.022 192 Q CB 0.000 28.723 28.738 -0.024 0.000 1.108 192 Q HN 0.000 8.259 8.270 -0.019 0.000 0.481