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 1c5z_1_B DATA FIRST_RESID 16 DATA SEQUENCE IIGGEFTTIE NQPWFAAIYR RSVTYVcGGS LMSPcWVISA THcFPKEDYI DATA SEQUENCE VYLGRSRLNS NTQGEMKFEV ENLILHKDYS ALAHHNDIAL LKIRRcAQPS DATA SEQUENCE RTIQTICLPS MYNDPQFGTS cEITGFGKEA STDYLYPEQL KMTVVKLISH DATA SEQUENCE REcQHYYGSE VTTKMLcAAQ WKTDScQGDS GGPLVcSLQG RMTLTGIVSW DATA SEQUENCE GRXGcALDKP GVYTRVSHFL PWIRSHT 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 16 I HA 0.000 4.167 4.170 -0.004 0.000 0.288 16 I C 0.000 176.100 176.117 -0.029 0.000 1.063 16 I CA 0.000 61.282 61.300 -0.029 0.000 1.566 16 I CB 0.000 37.952 38.000 -0.080 0.000 1.214 17 I N 3.250 123.812 120.570 -0.014 0.000 2.359 17 I HA 0.367 4.529 4.170 -0.014 0.000 0.294 17 I C 0.649 176.741 176.117 -0.041 0.000 0.987 17 I CA -2.721 58.572 61.300 -0.012 0.000 1.225 17 I CB -0.829 37.183 38.000 0.020 0.000 1.366 17 I HN 0.199 8.408 8.210 -0.002 0.000 0.466 18 G N 4.641 113.401 108.800 -0.066 0.000 2.645 18 G HA2 -0.365 3.539 3.960 -0.093 0.000 0.239 18 G HA3 -0.365 3.557 3.960 -0.063 0.000 0.239 18 G C -1.227 173.588 174.900 -0.141 0.000 1.331 18 G CA -0.077 44.970 45.100 -0.088 0.000 0.890 18 G HN 0.293 8.546 8.290 -0.061 0.000 0.572 19 G N 0.825 109.541 108.800 -0.139 0.000 2.526 19 G HA2 -0.331 3.570 3.960 -0.133 0.000 0.250 19 G HA3 -0.331 3.548 3.960 -0.193 -0.035 0.250 19 G C -1.672 173.091 174.900 -0.229 0.000 1.289 19 G CA -0.460 44.536 45.100 -0.173 0.000 0.947 19 G HN -0.118 8.106 8.290 -0.111 0.000 0.517 20 E N -2.315 117.733 120.200 -0.253 0.000 2.416 20 E HA 0.374 4.539 4.350 -0.308 0.000 0.273 20 E C -1.488 174.925 176.600 -0.313 0.000 0.935 20 E CA -2.136 54.110 56.400 -0.257 0.000 0.784 20 E CB 2.928 32.557 29.700 -0.119 0.000 1.301 20 E HN 0.124 8.348 8.360 -0.226 0.000 0.454 21 F N 0.126 120.039 119.950 -0.061 0.000 2.385 21 F HA 0.583 5.212 4.527 -0.094 -0.159 0.336 21 F C 0.775 176.525 175.800 -0.084 0.000 1.100 21 F CA 0.217 58.174 58.000 -0.073 0.000 1.116 21 F CB 2.032 41.005 39.000 -0.046 0.000 1.166 21 F HN 0.285 8.557 8.300 -0.046 0.000 0.511 22 T N -1.500 113.109 114.554 0.092 0.000 2.626 22 T HA 0.387 4.743 4.350 0.010 0.000 0.279 22 T C -1.936 172.748 174.700 -0.026 0.000 0.983 22 T CA -2.486 59.610 62.100 -0.007 0.000 1.059 22 T CB 2.652 71.470 68.868 -0.084 0.000 1.396 22 T HN 0.437 8.633 8.240 0.103 0.106 0.519 23 T N -3.845 110.675 114.554 -0.056 0.000 2.907 23 T HA 0.232 4.561 4.350 -0.034 0.000 0.290 23 T C 0.432 175.079 174.700 -0.088 0.000 1.066 23 T CA -1.966 60.104 62.100 -0.049 0.000 1.012 23 T CB 2.465 71.315 68.868 -0.030 0.000 1.184 23 T HN -0.575 7.624 8.240 -0.068 0.000 0.522 24 I N 1.700 122.235 120.570 -0.059 0.000 2.756 24 I HA -0.246 3.848 4.170 -0.127 0.000 0.262 24 I C 1.119 177.162 176.117 -0.123 0.000 1.225 24 I CA 0.390 61.643 61.300 -0.078 0.000 1.472 24 I CB 0.174 38.184 38.000 0.017 0.000 1.094 24 I HN 0.511 8.709 8.210 -0.020 0.000 0.454 25 E N -2.307 117.837 120.200 -0.092 0.000 2.209 25 E HA -0.268 4.175 4.350 -0.100 -0.154 0.196 25 E C 0.570 177.072 176.600 -0.164 0.000 0.993 25 E CA 2.434 58.772 56.400 -0.103 0.000 0.819 25 E CB -0.745 28.917 29.700 -0.062 0.000 0.745 25 E HN 0.526 8.806 8.360 -0.064 0.041 0.477 26 N N -3.478 115.120 118.700 -0.169 0.000 2.467 26 N HA -0.038 4.607 4.740 -0.158 0.000 0.184 26 N C -0.374 174.945 175.510 -0.318 0.000 1.106 26 N CA 1.079 54.016 53.050 -0.189 0.000 0.892 26 N CB 0.863 39.274 38.487 -0.126 0.000 0.969 26 N HN -0.627 7.639 8.380 -0.141 0.030 0.454 27 Q N -3.090 116.440 119.800 -0.450 0.000 3.112 27 Q HA 0.466 4.127 4.340 -1.132 0.000 0.300 27 Q C -2.103 173.389 176.000 -0.847 0.000 0.760 27 Q CA -1.653 53.705 55.803 -0.742 0.000 0.979 27 Q CB 0.392 28.903 28.738 -0.378 0.000 1.512 27 Q HN -0.156 7.705 8.270 -0.354 0.198 0.378 28 P HA 0.100 4.546 4.420 -0.202 -0.147 0.242 28 P C -0.285 176.913 177.300 -0.171 0.000 1.197 28 P CA 1.397 64.272 63.100 -0.376 0.000 0.765 28 P CB 0.011 31.554 31.700 -0.262 0.000 0.936 29 W N -4.317 117.065 121.300 0.138 0.000 3.220 29 W HA 0.368 5.229 4.660 0.095 -0.144 0.328 29 W C -1.110 175.501 176.519 0.154 0.000 1.205 29 W CA -3.430 53.987 57.345 0.120 0.000 1.773 29 W CB -0.713 28.802 29.460 0.091 0.000 1.086 29 W HN -0.693 6.581 8.180 -1.339 0.103 0.622 30 F N 4.029 124.026 119.950 0.078 0.000 2.484 30 F HA 0.259 5.107 4.527 0.251 -0.171 0.360 30 F C -1.956 173.944 175.800 0.167 0.000 1.101 30 F CA 0.036 58.126 58.000 0.150 0.000 1.251 30 F CB 1.766 40.782 39.000 0.028 0.000 1.132 30 F HN -0.239 7.920 8.300 0.054 0.174 0.570 31 A N 6.452 128.939 122.820 -0.556 0.000 2.342 31 A HA 0.779 5.225 4.320 -0.021 -0.138 0.323 31 A C -2.357 174.967 177.584 -0.434 0.000 1.125 31 A CA -2.328 49.544 52.037 -0.275 0.000 0.785 31 A CB 3.303 22.237 19.000 -0.111 0.000 1.221 31 A HN 0.504 8.077 8.150 -0.792 0.101 0.463 32 A N 2.953 125.807 122.820 0.056 0.000 2.288 32 A HA 0.473 4.949 4.320 0.259 0.000 0.320 32 A C -1.945 175.800 177.584 0.268 0.000 1.217 32 A CA -1.864 50.356 52.037 0.304 0.000 0.840 32 A CB 1.717 21.095 19.000 0.630 0.000 1.179 32 A HN 0.576 8.860 8.150 0.224 0.000 0.504 33 I N 3.923 124.498 120.570 0.008 0.000 2.378 33 I HA 0.642 5.149 4.170 0.277 -0.170 0.291 33 I C -1.136 174.917 176.117 -0.107 0.000 0.992 33 I CA -1.042 60.294 61.300 0.060 0.000 1.154 33 I CB 1.409 39.416 38.000 0.010 0.000 1.315 33 I HN -0.113 8.011 8.210 -0.145 0.000 0.448 34 Y N 5.310 125.762 120.300 0.254 0.000 2.630 34 Y HA 0.702 5.465 4.550 0.174 -0.109 0.337 34 Y C -1.259 174.779 175.900 0.229 0.000 1.051 34 Y CA -2.038 56.204 58.100 0.237 0.000 1.121 34 Y CB 4.547 43.172 38.460 0.274 0.000 1.299 34 Y HN 0.925 9.560 8.280 0.592 0.000 0.498 35 R N -0.773 119.898 120.500 0.286 0.000 2.686 35 R HA 0.718 5.173 4.340 -0.075 -0.160 0.286 35 R C -1.281 175.044 176.300 0.040 0.000 0.969 35 R CA -1.872 54.240 56.100 0.020 0.000 0.898 35 R CB 4.578 34.810 30.300 -0.113 0.000 1.183 35 R HN 0.928 9.282 8.270 0.315 0.106 0.456 36 R N 4.779 125.259 120.500 -0.033 0.000 2.404 36 R HA 0.205 4.563 4.340 0.029 0.000 0.291 36 R C -0.806 175.476 176.300 -0.031 0.000 1.025 36 R CA -0.409 55.688 56.100 -0.006 0.000 0.991 36 R CB 0.901 31.194 30.300 -0.012 0.000 1.053 36 R HN 0.718 8.918 8.270 -0.117 0.000 0.479 37 S N 0.626 116.331 115.700 0.009 0.000 3.626 37 S HA -0.366 4.112 4.470 0.013 0.000 0.710 37 S C -0.740 173.879 174.600 0.032 0.000 1.285 37 S CA 1.202 59.413 58.200 0.018 0.000 0.824 37 S CB 0.341 63.554 63.200 0.022 0.000 0.812 37 S HN 0.125 8.440 8.310 0.008 0.000 0.364 38 V N -1.253 118.691 119.914 0.049 0.000 2.604 38 V HA 0.575 4.930 4.120 0.088 -0.182 0.305 38 V C -1.008 175.188 176.094 0.170 0.000 1.043 38 V CA -1.747 60.609 62.300 0.094 0.000 0.888 38 V CB 2.700 34.554 31.823 0.052 0.000 0.995 38 V HN -0.192 8.023 8.190 0.040 0.000 0.429 39 T N 0.388 115.078 114.554 0.227 0.000 2.924 39 T HA 0.395 4.909 4.350 0.274 0.000 0.291 39 T C -0.750 174.177 174.700 0.379 0.000 1.045 39 T CA -2.113 60.146 62.100 0.266 0.000 1.015 39 T CB 3.447 72.406 68.868 0.152 0.000 1.103 39 T HN 0.517 8.876 8.240 0.200 0.000 0.496 40 Y N 4.516 124.933 120.300 0.196 0.000 2.346 40 Y HA -0.206 4.131 4.550 -0.356 0.000 0.330 40 Y C -1.264 174.675 175.900 0.066 0.000 1.178 40 Y CA 1.514 59.591 58.100 -0.038 0.000 1.331 40 Y CB 0.714 39.159 38.460 -0.024 0.000 1.253 40 Y HN 0.286 8.817 8.280 0.419 0.000 0.529 41 V N 5.815 125.360 119.914 -0.615 0.000 3.050 41 V HA -0.018 4.012 4.120 -0.149 0.000 0.223 41 V C -1.210 174.511 176.094 -0.622 0.000 1.162 41 V CA 0.835 62.898 62.300 -0.395 0.000 1.247 41 V CB 2.087 33.794 31.823 -0.193 0.000 1.125 41 V HN 0.457 8.010 8.190 -1.062 0.000 0.508 42 c N -5.252 112.864 118.600 -0.806 0.000 3.340 42 c HA 0.172 4.484 4.570 -0.431 0.000 0.333 42 c C -1.845 171.989 174.090 -0.428 0.000 1.464 42 c CA -0.736 55.262 56.329 -0.552 0.000 1.337 42 c CB 3.909 46.148 42.510 -0.452 0.000 1.740 42 c HN -0.744 7.014 8.230 -0.788 0.000 0.450 43 G N -1.408 107.324 108.800 -0.113 0.000 2.521 43 G HA2 0.791 4.786 3.960 -0.146 0.000 0.323 43 G HA3 0.791 4.841 3.960 0.148 0.000 0.323 43 G C -2.435 172.365 174.900 -0.167 0.000 1.211 43 G CA -1.451 43.603 45.100 -0.077 0.000 0.979 43 G HN 0.493 8.737 8.290 -0.076 0.000 0.490 44 G N -3.578 105.034 108.800 -0.314 0.000 2.663 44 G HA2 0.728 4.927 3.960 -0.034 0.000 0.299 44 G HA3 0.728 4.629 3.960 -0.089 0.005 0.299 44 G C -2.713 172.137 174.900 -0.084 0.000 1.372 44 G CA -0.083 44.946 45.100 -0.120 0.000 0.781 44 G HN -0.122 7.724 8.290 -0.739 0.000 0.491 45 S N -1.428 114.289 115.700 0.028 0.000 2.569 45 S HA 0.896 5.716 4.470 0.193 -0.234 0.280 45 S C -1.729 172.933 174.600 0.104 0.000 1.111 45 S CA -0.832 57.446 58.200 0.130 0.000 0.887 45 S CB 4.469 67.755 63.200 0.143 0.000 1.095 45 S HN 0.197 8.524 8.310 0.028 0.000 0.476 46 L N 3.106 124.421 121.223 0.154 0.000 2.264 46 L HA 0.414 4.947 4.340 0.071 -0.151 0.289 46 L C -0.955 175.976 176.870 0.101 0.000 1.044 46 L CA -0.545 54.361 54.840 0.110 0.000 0.807 46 L CB 1.269 43.401 42.059 0.121 0.000 1.192 46 L HN 0.164 8.547 8.230 0.257 0.000 0.425 47 M N 5.585 125.238 119.600 0.088 0.000 2.556 47 M HA 0.143 4.639 4.480 0.026 0.000 0.264 47 M C 0.186 176.527 176.300 0.068 0.000 1.163 47 M CA 2.367 57.702 55.300 0.058 0.000 1.186 47 M CB 1.496 34.125 32.600 0.048 0.000 1.321 47 M HN 0.535 8.889 8.290 0.107 0.000 0.485 48 S N -4.152 111.614 115.700 0.110 0.000 2.671 48 S HA 0.423 4.940 4.470 0.078 0.000 0.277 48 S C -1.778 172.872 174.600 0.083 0.000 1.165 48 S CA -1.771 56.494 58.200 0.108 0.000 0.822 48 S CB 0.910 64.199 63.200 0.149 0.000 1.150 48 S HN -0.811 7.585 8.310 0.144 0.000 0.479 49 P HA -0.118 4.295 4.420 -0.012 0.000 0.216 49 P C -0.116 177.113 177.300 -0.118 0.000 1.150 49 P CA 2.496 65.588 63.100 -0.013 0.000 0.843 49 P CB 0.086 31.789 31.700 0.006 0.000 0.787 50 c N -7.594 110.934 118.600 -0.121 0.000 3.038 50 c HA 0.282 4.615 4.570 -0.395 0.000 0.279 50 c C -1.166 172.620 174.090 -0.508 0.000 1.276 50 c CA -0.990 55.127 56.329 -0.353 0.000 1.697 50 c CB -1.036 41.228 42.510 -0.409 0.000 2.032 50 c HN 0.004 8.214 8.230 -0.004 0.018 0.636 51 W N -1.148 120.073 121.300 -0.131 0.000 2.656 51 W HA 0.492 5.237 4.660 -0.135 -0.166 0.327 51 W C -1.660 174.795 176.519 -0.108 0.000 1.041 51 W CA -1.042 56.232 57.345 -0.119 0.000 1.229 51 W CB 2.937 32.342 29.460 -0.093 0.000 1.397 51 W HN -0.285 7.822 8.180 0.075 0.117 0.479 52 V N 2.687 122.673 119.914 0.120 0.000 2.715 52 V HA 0.872 5.214 4.120 0.064 -0.184 0.310 52 V C -1.929 174.220 176.094 0.091 0.000 1.054 52 V CA -1.683 60.650 62.300 0.055 0.000 0.928 52 V CB 3.892 35.695 31.823 -0.032 0.000 1.007 52 V HN 0.945 9.196 8.190 0.102 0.000 0.437 53 I N 4.920 125.532 120.570 0.071 0.000 2.646 53 I HA 0.861 5.241 4.170 0.084 -0.160 0.299 53 I C -2.137 174.011 176.117 0.051 0.000 1.036 53 I CA -2.656 58.687 61.300 0.072 0.000 1.074 53 I CB 3.170 41.214 38.000 0.073 0.000 1.258 53 I HN 0.692 8.938 8.210 0.061 0.000 0.430 54 S N 5.353 121.087 115.700 0.057 0.000 3.003 54 S HA 0.456 5.133 4.470 0.012 -0.200 0.313 54 S C -2.219 172.380 174.600 -0.002 0.000 1.230 54 S CA -1.474 56.748 58.200 0.036 0.000 0.977 54 S CB 1.995 65.260 63.200 0.108 0.000 1.340 54 S HN 0.338 8.689 8.310 0.070 0.000 0.608 55 A N -1.029 121.742 122.820 -0.082 0.000 2.325 55 A HA 0.562 4.938 4.320 -0.150 -0.146 0.333 55 A C 0.810 178.271 177.584 -0.204 0.000 1.155 55 A CA -1.601 50.319 52.037 -0.195 0.000 0.814 55 A CB 2.024 20.812 19.000 -0.353 0.000 1.206 55 A HN 0.243 8.320 8.150 -0.121 0.000 0.482 56 T N 5.343 119.756 114.554 -0.234 0.000 2.777 56 T HA -0.335 4.004 4.350 -0.018 0.000 0.266 56 T C 1.489 175.907 174.700 -0.470 0.000 1.040 56 T CA 4.675 66.604 62.100 -0.284 0.000 1.141 56 T CB 0.004 68.595 68.868 -0.463 0.000 0.868 56 T HN 0.539 8.597 8.240 -0.232 0.043 0.444 57 H N -0.640 118.072 119.070 -0.596 0.000 2.518 57 H HA -0.241 4.029 4.556 -0.477 0.000 0.292 57 H C 0.544 175.645 175.328 -0.378 0.000 1.068 57 H CA 2.537 58.296 56.048 -0.481 0.000 1.275 57 H CB -0.900 28.529 29.762 -0.556 0.000 1.375 57 H HN -0.034 8.303 8.280 -0.470 -0.339 0.563 58 c N -1.780 116.309 118.600 -0.851 0.000 2.464 58 c HA -0.160 4.016 4.570 -0.658 0.000 0.278 58 c C -0.176 173.334 174.090 -0.967 0.000 1.375 58 c CA 1.715 57.469 56.329 -0.958 0.000 1.761 58 c CB -1.446 40.308 42.510 -1.260 0.000 1.944 58 c HN -0.777 6.779 8.230 -0.842 0.168 0.509 59 F N -1.893 117.924 119.950 -0.222 0.000 2.518 59 F HA 0.427 4.926 4.527 -0.047 0.000 0.338 59 F C -1.144 174.627 175.800 -0.048 0.000 1.065 59 F CA -2.754 55.163 58.000 -0.139 0.000 1.012 59 F CB 0.881 39.729 39.000 -0.253 0.000 1.297 59 F HN -0.439 7.420 8.300 -0.484 0.151 0.489 60 P HA 0.320 4.900 4.420 0.267 0.000 0.424 60 P C -1.782 175.632 177.300 0.190 0.000 1.215 60 P CA -0.110 63.116 63.100 0.210 0.000 1.466 60 P CB 0.243 32.017 31.700 0.122 0.000 2.379 61 K N 0.576 121.134 120.400 0.264 0.000 2.211 61 K HA 0.294 4.684 4.320 0.117 0.000 0.237 61 K C 0.811 177.559 176.600 0.246 0.000 1.002 61 K CA -1.562 54.825 56.287 0.167 0.000 0.885 61 K CB 1.233 33.782 32.500 0.082 0.000 1.136 61 K HN -0.348 8.127 8.250 0.376 0.000 0.448 62 E N -1.764 118.495 120.200 0.099 0.000 3.520 62 E HA -0.383 3.995 4.350 0.048 0.000 0.263 62 E C 1.456 178.078 176.600 0.036 0.000 0.708 62 E CA 2.776 59.208 56.400 0.054 0.000 0.884 62 E CB -0.334 29.381 29.700 0.025 0.000 1.469 62 E HN 0.909 9.319 8.360 0.084 0.000 0.446 63 D N -2.486 117.918 120.400 0.007 0.000 2.349 63 D HA 0.133 4.731 4.640 -0.070 0.000 0.214 63 D C -1.615 174.568 176.300 -0.196 0.000 1.063 63 D CA -0.078 53.843 54.000 -0.133 0.000 0.847 63 D CB 0.829 41.477 40.800 -0.253 0.000 0.933 63 D HN 0.233 8.519 8.370 0.056 0.118 0.513 64 Y N -2.188 118.155 120.300 0.072 0.000 2.487 64 Y HA 0.509 5.309 4.550 0.145 -0.163 0.337 64 Y C -0.813 175.144 175.900 0.096 0.000 1.076 64 Y CA -0.597 57.570 58.100 0.112 0.000 1.115 64 Y CB 2.922 41.458 38.460 0.127 0.000 1.235 64 Y HN -0.636 7.738 8.280 0.246 0.054 0.468 65 I N -0.706 120.052 120.570 0.313 0.000 2.608 65 I HA 0.452 4.840 4.170 0.114 -0.149 0.295 65 I C -1.487 174.796 176.117 0.278 0.000 1.049 65 I CA -2.645 58.771 61.300 0.193 0.000 1.063 65 I CB 3.439 41.520 38.000 0.135 0.000 1.248 65 I HN 0.356 8.810 8.210 0.407 0.000 0.424 66 V N 5.737 125.744 119.914 0.156 0.000 2.540 66 V HA 0.599 5.117 4.120 0.343 -0.193 0.302 66 V C -1.579 174.619 176.094 0.173 0.000 1.035 66 V CA -1.500 60.940 62.300 0.232 0.000 0.873 66 V CB 2.743 34.660 31.823 0.157 0.000 0.992 66 V HN 0.120 8.346 8.190 0.061 0.000 0.428 67 Y N 5.232 125.739 120.300 0.345 0.000 2.429 67 Y HA 0.822 5.758 4.550 0.268 -0.225 0.342 67 Y C -0.924 175.148 175.900 0.287 0.000 1.004 67 Y CA -1.958 56.322 58.100 0.299 0.000 1.075 67 Y CB 4.129 42.756 38.460 0.277 0.000 1.214 67 Y HN 0.938 9.555 8.280 0.563 0.000 0.455 68 L N -0.946 120.532 121.223 0.426 0.000 2.341 68 L HA 0.554 5.066 4.340 0.286 0.000 0.267 68 L C 0.569 177.612 176.870 0.288 0.000 1.009 68 L CA -1.436 53.596 54.840 0.320 0.000 0.819 68 L CB 3.854 46.093 42.059 0.301 0.000 1.323 68 L HN 0.504 8.984 8.230 0.417 0.000 0.425 69 G N -0.965 107.972 108.800 0.228 0.000 2.256 69 G HA2 -0.444 3.742 3.960 0.127 0.000 0.272 69 G HA3 -0.444 3.608 3.960 0.154 0.000 0.272 69 G C -1.624 173.389 174.900 0.189 0.000 1.076 69 G CA 0.270 45.473 45.100 0.171 0.000 0.882 69 G HN 0.509 8.929 8.290 0.217 0.000 0.497 70 R N -1.605 119.047 120.500 0.253 0.000 2.360 70 R HA 0.105 4.549 4.340 0.173 0.000 0.318 70 R C -1.573 174.893 176.300 0.277 0.000 0.950 70 R CA -0.997 55.257 56.100 0.256 0.000 0.837 70 R CB 1.098 31.600 30.300 0.336 0.000 1.165 70 R HN -0.236 8.214 8.270 0.301 0.000 0.458 71 S N 4.226 120.035 115.700 0.181 0.000 2.478 71 S HA -0.067 4.464 4.470 0.101 0.000 0.222 71 S C -0.311 174.444 174.600 0.258 0.000 1.008 71 S CA 2.033 60.320 58.200 0.146 0.000 0.928 71 S CB 1.079 64.316 63.200 0.060 0.000 0.781 71 S HN 0.693 9.081 8.310 0.130 0.000 0.518 72 R N -1.302 119.341 120.500 0.238 0.000 2.873 72 R HA 0.644 5.343 4.340 0.285 -0.187 0.264 72 R C -0.051 176.224 176.300 -0.042 0.000 1.026 72 R CA -1.245 54.954 56.100 0.166 0.000 1.002 72 R CB 2.837 33.148 30.300 0.018 0.000 1.174 72 R HN -1.026 7.317 8.270 0.172 0.030 0.488 73 L N -0.015 121.000 121.223 -0.346 0.000 2.084 73 L HA -0.003 3.676 4.340 -1.102 0.000 0.202 73 L C 0.641 177.365 176.870 -0.242 0.000 1.074 73 L CA 1.783 56.206 54.840 -0.695 0.000 0.757 73 L CB 1.365 42.934 42.059 -0.817 0.000 0.918 73 L HN 0.595 8.706 8.230 -0.178 0.011 0.444 74 N N -2.501 116.096 118.700 -0.172 0.000 2.200 74 N HA 0.089 4.730 4.740 -0.165 0.000 0.224 74 N C -0.719 174.703 175.510 -0.146 0.000 1.179 74 N CA 0.352 53.319 53.050 -0.137 0.000 0.877 74 N CB 1.298 39.738 38.487 -0.079 0.000 1.072 74 N HN -0.093 8.530 8.380 -0.168 -0.344 0.519 75 S N 0.493 116.111 115.700 -0.137 0.000 2.600 75 S HA 0.313 4.715 4.470 -0.113 0.000 0.300 75 S C -1.388 173.139 174.600 -0.123 0.000 1.087 75 S CA -1.239 56.895 58.200 -0.111 0.000 0.965 75 S CB 2.172 65.327 63.200 -0.076 0.000 1.089 75 S HN -0.386 7.844 8.310 -0.134 0.000 0.496 76 N N 0.961 119.599 118.700 -0.104 0.000 2.445 76 N HA 0.041 4.835 4.740 -0.138 -0.137 0.264 76 N C -0.639 174.846 175.510 -0.041 0.000 1.227 76 N CA 0.163 53.158 53.050 -0.091 0.000 0.963 76 N CB 1.157 39.604 38.487 -0.066 0.000 1.188 76 N HN 0.130 8.457 8.380 -0.088 0.000 0.491 77 T N 1.165 115.710 114.554 -0.016 0.000 2.863 77 T HA 0.209 4.563 4.350 0.006 0.000 0.285 77 T C -1.266 173.446 174.700 0.021 0.000 1.009 77 T CA -0.586 61.523 62.100 0.014 0.000 0.989 77 T CB 2.084 70.980 68.868 0.046 0.000 1.004 77 T HN 0.158 8.728 8.240 -0.019 -0.342 0.455 78 Q N 4.918 124.729 119.800 0.018 0.000 2.293 78 Q HA -0.054 4.298 4.340 0.020 0.000 0.251 78 Q C 0.861 176.881 176.000 0.034 0.000 0.930 78 Q CA 0.852 56.667 55.803 0.020 0.000 0.893 78 Q CB 0.540 29.285 28.738 0.012 0.000 1.215 78 Q HN 0.304 8.582 8.270 0.013 0.000 0.425 79 G N 3.910 112.734 108.800 0.039 0.000 2.176 79 G HA2 -0.264 3.722 3.960 0.042 0.000 0.232 79 G HA3 -0.264 3.724 3.960 0.047 0.000 0.232 79 G C -0.498 174.449 174.900 0.078 0.000 0.986 79 G CA -0.458 44.672 45.100 0.050 0.000 0.643 79 G HN 0.381 8.692 8.290 0.034 0.000 0.522 80 E N 0.187 120.444 120.200 0.094 0.000 2.392 80 E HA 0.136 4.744 4.350 0.173 -0.155 0.259 80 E C -0.691 175.994 176.600 0.142 0.000 1.108 80 E CA -0.405 56.090 56.400 0.158 0.000 0.916 80 E CB 1.095 30.914 29.700 0.199 0.000 0.989 80 E HN -0.730 7.615 8.360 0.076 0.061 0.432 81 M N 1.106 120.804 119.600 0.163 0.000 2.530 81 M HA 0.295 4.706 4.480 -0.116 0.000 0.307 81 M C -1.837 174.338 176.300 -0.207 0.000 1.161 81 M CA -0.612 54.656 55.300 -0.053 0.000 0.903 81 M CB 4.667 37.267 32.600 0.001 0.000 1.711 81 M HN 0.248 8.687 8.290 0.248 0.000 0.451 82 K N 2.708 122.757 120.400 -0.584 0.000 2.270 82 K HA 0.702 4.589 4.320 -0.991 -0.162 0.255 82 K C -1.603 174.459 176.600 -0.897 0.000 0.936 82 K CA -1.085 54.701 56.287 -0.835 0.000 0.809 82 K CB 2.609 34.653 32.500 -0.762 0.000 1.131 82 K HN 0.313 8.216 8.250 -0.578 0.000 0.427 83 F N 2.246 122.026 119.950 -0.283 0.000 2.640 83 F HA 0.225 4.752 4.527 -0.138 -0.083 0.324 83 F C -1.555 174.167 175.800 -0.130 0.000 1.077 83 F CA -0.745 57.158 58.000 -0.161 0.000 0.965 83 F CB 4.594 43.521 39.000 -0.122 0.000 1.351 83 F HN 0.568 8.717 8.300 -0.251 0.000 0.487 84 E N -1.573 118.699 120.200 0.120 0.000 2.263 84 E HA 0.438 4.818 4.350 0.050 0.000 0.264 84 E C -1.167 175.452 176.600 0.031 0.000 0.923 84 E CA -1.781 54.648 56.400 0.049 0.000 0.802 84 E CB 4.116 33.825 29.700 0.014 0.000 1.228 84 E HN 0.651 9.014 8.360 0.184 0.107 0.417 85 V N 2.469 122.386 119.914 0.006 0.000 2.368 85 V HA 0.006 4.216 4.120 -0.113 -0.157 0.266 85 V C -0.685 175.361 176.094 -0.080 0.000 1.045 85 V CA 0.522 62.781 62.300 -0.068 0.000 0.899 85 V CB -0.553 31.228 31.823 -0.071 0.000 1.006 85 V HN 0.712 8.924 8.190 0.037 0.000 0.470 86 E N 7.683 127.803 120.200 -0.133 0.000 2.170 86 E HA -0.250 4.054 4.350 -0.077 0.000 0.191 86 E C -1.088 175.437 176.600 -0.125 0.000 0.981 86 E CA 2.049 58.375 56.400 -0.122 0.000 0.830 86 E CB 1.369 30.972 29.700 -0.162 0.000 0.775 86 E HN 0.693 8.835 8.360 -0.181 0.108 0.470 87 N N -3.438 115.158 118.700 -0.174 0.000 2.264 87 N HA 0.187 4.880 4.740 -0.078 0.000 0.288 87 N C -2.397 173.029 175.510 -0.141 0.000 1.094 87 N CA -0.408 52.569 53.050 -0.122 0.000 0.817 87 N CB 3.650 42.086 38.487 -0.084 0.000 1.604 87 N HN -0.642 7.598 8.380 -0.233 0.000 0.473 88 L N 3.032 124.184 121.223 -0.118 0.000 2.372 88 L HA 0.569 4.879 4.340 -0.271 -0.132 0.273 88 L C -1.306 175.496 176.870 -0.113 0.000 0.989 88 L CA -0.548 54.169 54.840 -0.205 0.000 0.841 88 L CB 2.256 44.163 42.059 -0.254 0.000 1.225 88 L HN 0.354 8.539 8.230 -0.074 0.000 0.414 89 I N 8.066 128.581 120.570 -0.090 0.000 2.382 89 I HA 0.301 4.462 4.170 -0.015 0.000 0.286 89 I C -1.497 174.633 176.117 0.021 0.000 1.002 89 I CA -0.830 60.445 61.300 -0.041 0.000 1.135 89 I CB 1.513 39.433 38.000 -0.134 0.000 1.288 89 I HN 0.967 9.112 8.210 -0.109 0.000 0.448 90 L N 5.009 126.269 121.223 0.060 0.000 2.331 90 L HA 0.372 4.766 4.340 0.089 0.000 0.268 90 L C -1.083 175.907 176.870 0.200 0.000 1.015 90 L CA -1.756 53.140 54.840 0.093 0.000 0.807 90 L CB 2.265 44.343 42.059 0.031 0.000 1.293 90 L HN 0.464 8.723 8.230 0.048 0.000 0.451 91 H N 0.888 119.975 119.070 0.028 0.000 2.548 91 H HA 0.015 4.636 4.556 0.108 0.000 0.331 91 H C -0.449 174.933 175.328 0.091 0.000 1.093 91 H CA 0.470 56.504 56.048 -0.024 0.000 1.367 91 H CB 1.872 31.440 29.762 -0.323 0.000 1.455 91 H HN -0.121 8.216 8.280 0.096 0.000 0.519 92 K N 6.769 127.155 120.400 -0.023 0.000 2.227 92 K HA 0.051 4.453 4.320 0.136 0.000 0.280 92 K C -1.599 175.091 176.600 0.150 0.000 1.041 92 K CA 0.013 56.349 56.287 0.082 0.000 0.905 92 K CB -0.650 31.887 32.500 0.062 0.000 1.068 92 K HN 0.319 8.384 8.250 -0.308 0.000 0.470 93 D N -3.539 116.981 120.400 0.199 0.000 2.967 93 D HA -0.303 4.410 4.640 0.120 0.000 0.201 93 D C -2.031 174.392 176.300 0.205 0.000 0.953 93 D CA 0.806 54.922 54.000 0.194 0.000 0.980 93 D CB -2.175 38.768 40.800 0.237 0.000 1.039 93 D HN 0.377 8.854 8.370 0.179 0.000 0.456 94 Y N 0.960 121.341 120.300 0.135 0.000 2.465 94 Y HA -0.162 4.647 4.550 0.087 -0.207 0.331 94 Y C -0.750 175.209 175.900 0.098 0.000 1.102 94 Y CA 0.979 59.142 58.100 0.104 0.000 1.358 94 Y CB 0.352 38.870 38.460 0.096 0.000 1.213 94 Y HN -0.803 7.632 8.280 0.339 0.049 0.525 95 S N 7.667 122.942 115.700 -0.708 0.000 2.632 95 S HA 0.310 4.480 4.470 -0.500 0.000 0.289 95 S C -1.777 172.451 174.600 -0.620 0.000 1.115 95 S CA -1.148 56.722 58.200 -0.549 0.000 0.889 95 S CB 3.904 66.955 63.200 -0.249 0.000 1.116 95 S HN 0.047 8.045 8.310 -0.520 0.000 0.486 96 A N 0.800 123.383 122.820 -0.395 0.000 2.527 96 A HA 0.593 4.836 4.320 -0.457 -0.198 0.293 96 A C 0.778 178.197 177.584 -0.275 0.000 1.117 96 A CA -1.208 50.613 52.037 -0.359 0.000 0.723 96 A CB 1.496 20.360 19.000 -0.228 0.000 1.313 96 A HN 0.274 8.243 8.150 -0.302 0.000 0.411 97 L N 0.386 121.341 121.223 -0.446 0.000 2.402 97 L HA -0.478 3.619 4.340 -0.404 0.000 0.240 97 L C 0.349 176.458 176.870 -1.269 0.000 1.135 97 L CA 2.141 56.600 54.840 -0.635 0.000 0.830 97 L CB -0.145 41.550 42.059 -0.605 0.000 0.988 97 L HN 0.386 8.330 8.230 -0.477 0.000 0.428 98 A N -4.475 117.337 122.820 -1.680 0.000 2.287 98 A HA 0.039 1.938 4.320 -4.036 0.000 0.273 98 A C -1.439 175.330 177.584 -1.357 0.000 1.091 98 A CA -0.666 49.975 52.037 -2.326 0.000 0.817 98 A CB 1.565 19.518 19.000 -1.746 0.000 1.069 98 A HN -0.385 7.044 8.150 -1.202 0.000 0.492 99 H N -1.285 117.243 119.070 -0.905 0.000 2.529 99 H HA 0.696 5.223 4.556 -0.365 -0.191 0.348 99 H C -0.631 174.493 175.328 -0.341 0.000 1.079 99 H CA -1.274 54.563 56.048 -0.352 0.000 1.198 99 H CB 2.569 32.362 29.762 0.051 0.000 1.521 99 H HN 0.228 7.857 8.280 -1.085 0.000 0.514 100 H N 2.598 121.619 119.070 -0.082 0.000 2.499 100 H HA 0.274 4.877 4.556 0.078 0.000 0.340 100 H C 0.150 175.500 175.328 0.036 0.000 1.148 100 H CA -0.799 55.245 56.048 -0.006 0.000 1.215 100 H CB 3.269 32.987 29.762 -0.073 0.000 1.529 100 H HN 0.727 8.832 8.280 -0.094 0.118 0.510 101 N N -1.198 117.576 118.700 0.123 0.000 2.725 101 N HA -0.361 4.201 4.740 -0.297 0.000 0.251 101 N C -1.275 174.104 175.510 -0.218 0.000 1.031 101 N CA 1.078 54.018 53.050 -0.185 0.000 0.720 101 N CB -0.676 37.714 38.487 -0.162 0.000 0.930 101 N HN 0.629 9.127 8.380 0.198 0.000 0.543 102 D N -1.458 118.881 120.400 -0.101 0.000 2.845 102 D HA 0.009 4.704 4.640 0.091 0.000 0.235 102 D C -1.746 174.395 176.300 -0.265 0.000 1.158 102 D CA -0.204 53.777 54.000 -0.032 0.000 0.990 102 D CB -0.863 40.038 40.800 0.170 0.000 1.094 102 D HN 0.118 8.456 8.370 -0.052 0.001 0.486 103 I N -0.192 120.111 120.570 -0.445 0.000 2.647 103 I HA 0.617 4.788 4.170 -0.237 -0.143 0.295 103 I C -2.672 173.353 176.117 -0.152 0.000 1.078 103 I CA -2.232 58.838 61.300 -0.382 0.000 1.048 103 I CB 3.684 41.243 38.000 -0.733 0.000 1.239 103 I HN -0.527 7.318 8.210 -0.514 0.057 0.421 104 A N 6.760 129.606 122.820 0.043 0.000 2.515 104 A HA 0.838 5.427 4.320 0.282 -0.100 0.296 104 A C -2.428 175.248 177.584 0.154 0.000 1.094 104 A CA -1.776 50.353 52.037 0.154 0.000 0.718 104 A CB 4.150 23.200 19.000 0.082 0.000 1.307 104 A HN 0.857 8.931 8.150 0.026 0.092 0.408 105 L N -1.297 119.982 121.223 0.093 0.000 2.381 105 L HA 0.818 5.382 4.340 0.113 -0.156 0.268 105 L C -1.608 175.288 176.870 0.044 0.000 0.997 105 L CA -1.323 53.572 54.840 0.093 0.000 0.818 105 L CB 4.140 46.220 42.059 0.035 0.000 1.310 105 L HN 0.623 8.895 8.230 0.071 0.000 0.416 106 L N 1.347 122.599 121.223 0.047 0.000 2.376 106 L HA 0.704 5.130 4.340 -0.194 -0.202 0.275 106 L C -1.681 175.048 176.870 -0.235 0.000 0.987 106 L CA -0.818 53.934 54.840 -0.146 0.000 0.828 106 L CB 3.099 45.025 42.059 -0.222 0.000 1.249 106 L HN 0.919 9.231 8.230 0.136 0.000 0.409 107 K N 4.548 124.662 120.400 -0.477 0.000 2.183 107 K HA 0.872 4.700 4.320 -1.161 -0.205 0.274 107 K C -0.803 175.491 176.600 -0.509 0.000 1.009 107 K CA -1.548 54.184 56.287 -0.925 0.000 0.888 107 K CB 2.559 34.353 32.500 -1.178 0.000 1.078 107 K HN 0.542 8.469 8.250 -0.359 0.108 0.459 108 I N 0.884 121.160 120.570 -0.489 0.000 2.607 108 I HA 1.070 5.327 4.170 -0.195 -0.204 0.305 108 I C -1.174 174.822 176.117 -0.202 0.000 0.995 108 I CA -2.544 58.566 61.300 -0.317 0.000 1.148 108 I CB 3.027 40.712 38.000 -0.525 0.000 1.323 108 I HN 0.417 8.266 8.210 -0.602 0.000 0.461 109 R N 2.915 123.435 120.500 0.033 0.000 2.698 109 R HA 0.462 4.850 4.340 0.081 0.000 0.275 109 R C -0.226 176.231 176.300 0.262 0.000 1.001 109 R CA -1.941 54.221 56.100 0.103 0.000 0.896 109 R CB 4.204 34.501 30.300 -0.006 0.000 1.218 109 R HN 0.483 8.810 8.270 0.094 0.000 0.462 110 R N 1.272 121.802 120.500 0.050 0.000 2.212 110 R HA -0.327 4.038 4.340 0.042 0.000 0.323 110 R C -0.994 175.402 176.300 0.160 0.000 0.986 110 R CA 1.444 57.590 56.100 0.077 0.000 1.031 110 R CB -0.286 30.057 30.300 0.072 0.000 0.772 110 R HN 0.412 8.713 8.270 0.051 0.000 0.427 111 c N -1.393 117.266 118.600 0.099 0.000 2.548 111 c HA 0.100 4.639 4.570 -0.052 0.000 0.412 111 c C 0.403 174.549 174.090 0.094 0.000 1.588 111 c CA -1.530 54.804 56.329 0.007 0.000 1.861 111 c CB 1.560 44.013 42.510 -0.095 0.000 1.983 111 c HN 0.134 8.401 8.230 0.061 0.000 0.497 112 A N 0.302 123.059 122.820 -0.105 0.000 2.466 112 A HA -0.138 4.388 4.320 0.344 0.000 0.238 112 A C -0.928 176.717 177.584 0.102 0.000 1.074 112 A CA 0.846 52.925 52.037 0.070 0.000 0.774 112 A CB 0.693 19.662 19.000 -0.052 0.000 1.015 112 A HN 0.361 8.243 8.150 -0.297 0.089 0.498 113 Q N 0.138 120.022 119.800 0.139 0.000 2.353 113 Q HA 0.379 4.766 4.340 0.078 0.000 0.268 113 Q C -2.559 173.494 176.000 0.089 0.000 1.045 113 Q CA -3.213 52.648 55.803 0.098 0.000 0.811 113 Q CB 1.555 30.349 28.738 0.093 0.000 1.305 113 Q HN -0.098 8.286 8.270 0.190 0.000 0.447 114 P HA 0.123 4.748 4.420 0.080 -0.156 0.276 114 P C -1.240 176.098 177.300 0.062 0.000 1.235 114 P CA -0.522 62.620 63.100 0.070 0.000 0.772 114 P CB 0.844 32.581 31.700 0.062 0.000 0.871 115 S N 4.662 120.399 115.700 0.062 0.000 2.880 115 S HA 0.433 4.929 4.470 0.043 0.000 0.308 115 S C -0.625 173.998 174.600 0.038 0.000 1.195 115 S CA -1.232 56.997 58.200 0.049 0.000 0.866 115 S CB 2.403 65.635 63.200 0.053 0.000 1.254 115 S HN 0.242 8.592 8.310 0.068 0.000 0.571 116 R N -2.565 117.951 120.500 0.027 0.000 2.275 116 R HA 0.054 4.401 4.340 0.012 0.000 0.199 116 R C 0.206 176.505 176.300 -0.002 0.000 0.989 116 R CA 1.834 57.941 56.100 0.012 0.000 1.016 116 R CB 0.057 30.363 30.300 0.009 0.000 0.918 116 R HN 0.360 8.647 8.270 0.029 0.000 0.473 117 T N -4.207 110.355 114.554 0.014 0.000 3.044 117 T HA 0.210 4.543 4.350 -0.028 0.000 0.260 117 T C -0.863 173.853 174.700 0.026 0.000 1.019 117 T CA 0.045 62.150 62.100 0.008 0.000 0.921 117 T CB 1.387 70.274 68.868 0.032 0.000 1.053 117 T HN -0.447 7.773 8.240 0.030 0.039 0.533 118 I N 2.080 122.679 120.570 0.047 0.000 2.468 118 I HA 0.554 4.989 4.170 0.085 -0.215 0.284 118 I C -2.565 173.608 176.117 0.093 0.000 1.038 118 I CA -0.881 60.469 61.300 0.082 0.000 1.083 118 I CB 2.000 40.068 38.000 0.113 0.000 1.223 118 I HN -0.353 7.766 8.210 0.045 0.119 0.443 119 Q N 7.630 127.509 119.800 0.131 0.000 2.565 119 Q HA 0.437 4.871 4.340 0.157 0.000 0.294 119 Q C -2.386 173.800 176.000 0.311 0.000 1.005 119 Q CA -1.735 54.190 55.803 0.203 0.000 0.771 119 Q CB 4.810 33.688 28.738 0.233 0.000 1.486 119 Q HN 0.482 8.720 8.270 0.132 0.111 0.422 120 T N -1.220 113.498 114.554 0.273 0.000 2.912 120 T HA 0.428 5.041 4.350 0.249 -0.114 0.280 120 T C -0.922 173.898 174.700 0.200 0.000 0.989 120 T CA -2.267 59.968 62.100 0.224 0.000 0.995 120 T CB 1.580 70.517 68.868 0.116 0.000 1.077 120 T HN 0.038 8.409 8.240 0.218 0.000 0.531 121 I N -0.370 120.192 120.570 -0.013 0.000 2.797 121 I HA 0.299 4.136 4.170 -0.556 0.000 0.307 121 I C -1.643 174.338 176.117 -0.226 0.000 1.033 121 I CA -2.188 58.867 61.300 -0.410 0.000 1.071 121 I CB 3.897 41.411 38.000 -0.809 0.000 1.255 121 I HN 0.195 8.418 8.210 0.022 0.000 0.445 122 C N 5.426 124.574 119.300 -0.253 0.000 2.398 122 C HA 0.257 4.661 4.460 -0.093 0.000 0.364 122 C C -1.061 173.858 174.990 -0.120 0.000 1.219 122 C CA -0.214 58.721 59.018 -0.138 0.000 2.312 122 C CB 1.019 28.690 27.740 -0.114 0.000 2.428 122 C HN -0.106 7.907 8.230 -0.361 0.000 0.564 123 L N 1.599 122.779 121.223 -0.073 0.000 2.344 123 L HA 0.352 4.661 4.340 -0.052 0.000 0.272 123 L C -1.136 175.710 176.870 -0.041 0.000 1.035 123 L CA -3.025 51.786 54.840 -0.049 0.000 0.807 123 L CB -0.131 41.909 42.059 -0.031 0.000 1.237 123 L HN 0.184 8.377 8.230 -0.061 0.000 0.442 124 P HA 0.046 4.452 4.420 -0.024 0.000 0.286 124 P C -1.596 175.692 177.300 -0.020 0.000 1.293 124 P CA -0.735 62.353 63.100 -0.019 0.000 0.770 124 P CB 1.051 32.749 31.700 -0.003 0.000 1.206 125 S N -1.986 113.707 115.700 -0.012 0.000 2.681 125 S HA 0.163 4.621 4.470 -0.020 0.000 0.299 125 S C 0.222 174.808 174.600 -0.024 0.000 1.113 125 S CA -0.865 57.328 58.200 -0.012 0.000 1.013 125 S CB 2.248 65.451 63.200 0.005 0.000 1.076 125 S HN 0.109 8.418 8.310 -0.002 0.000 0.534 126 M N 1.662 121.243 119.600 -0.033 0.000 2.330 126 M HA -0.442 3.849 4.480 -0.315 0.000 0.436 126 M C -0.493 175.835 176.300 0.047 0.000 1.536 126 M CA 1.323 56.578 55.300 -0.076 0.000 0.842 126 M CB -1.705 30.960 32.600 0.108 0.000 2.060 126 M HN 0.265 8.546 8.290 -0.015 0.000 0.511 127 Y N -2.719 117.530 120.300 -0.085 0.000 3.305 127 Y HA -0.502 4.066 4.550 -0.047 -0.046 0.214 127 Y C -1.057 174.862 175.900 0.031 0.000 1.185 127 Y CA 0.927 58.969 58.100 -0.095 0.000 1.326 127 Y CB -3.086 35.215 38.460 -0.264 0.000 1.367 127 Y HN 0.309 8.016 8.280 -0.826 0.077 0.588 128 N N 0.259 119.029 118.700 0.116 0.000 2.417 128 N HA 0.124 4.932 4.740 0.113 0.000 0.274 128 N C -2.048 173.514 175.510 0.087 0.000 0.987 128 N CA -0.937 52.171 53.050 0.097 0.000 0.912 128 N CB 1.914 40.435 38.487 0.056 0.000 1.177 128 N HN -0.477 7.919 8.380 0.054 0.017 0.490 129 D N 6.330 126.787 120.400 0.095 0.000 2.490 129 D HA 0.372 5.043 4.640 0.052 0.000 0.232 129 D C -2.329 173.998 176.300 0.045 0.000 1.053 129 D CA -2.028 52.015 54.000 0.072 0.000 0.914 129 D CB 2.628 43.490 40.800 0.104 0.000 1.431 129 D HN -0.017 8.417 8.370 0.106 0.000 0.483 130 P HA 0.079 4.494 4.420 -0.009 0.000 0.271 130 P C -1.123 176.182 177.300 0.009 0.000 1.244 130 P CA -0.194 62.902 63.100 -0.006 0.000 0.793 130 P CB 0.718 32.398 31.700 -0.033 0.000 0.984 131 Q N -1.548 118.235 119.800 -0.028 0.000 2.306 131 Q HA 0.136 4.518 4.340 0.069 0.000 0.241 131 Q C 0.599 176.559 176.000 -0.067 0.000 0.948 131 Q CA -0.991 54.793 55.803 -0.032 0.000 0.886 131 Q CB 1.386 30.041 28.738 -0.139 0.000 1.227 131 Q HN 0.297 8.534 8.270 -0.055 0.000 0.457 132 F N -0.674 119.258 119.950 -0.029 0.000 2.589 132 F HA -0.502 3.986 4.527 -0.066 0.000 0.352 132 F C 0.771 176.541 175.800 -0.049 0.000 1.168 132 F CA 0.330 58.299 58.000 -0.052 0.000 1.353 132 F CB -0.163 38.804 39.000 -0.055 0.000 1.116 132 F HN 0.051 8.603 8.300 0.419 0.000 0.608 133 G N 2.510 111.241 108.800 -0.116 0.000 2.349 133 G HA2 -0.364 3.536 3.960 -0.100 0.000 0.213 133 G HA3 -0.364 3.381 3.960 -0.359 0.000 0.213 133 G C -0.749 174.065 174.900 -0.143 0.000 1.044 133 G CA -0.029 44.954 45.100 -0.196 0.000 0.633 133 G HN 0.585 8.779 8.290 0.030 0.114 0.506 134 T N 5.334 119.805 114.554 -0.139 0.000 2.939 134 T HA -0.310 3.976 4.350 -0.107 0.000 0.312 134 T C -0.762 173.883 174.700 -0.091 0.000 1.064 134 T CA 2.318 64.355 62.100 -0.105 0.000 1.136 134 T CB 0.302 69.117 68.868 -0.089 0.000 1.035 134 T HN -0.530 7.538 8.240 -0.157 0.077 0.538 135 S N 4.564 120.215 115.700 -0.082 0.000 2.457 135 S HA 0.530 5.107 4.470 -0.087 -0.159 0.289 135 S C -0.352 174.203 174.600 -0.074 0.000 1.163 135 S CA -0.335 57.818 58.200 -0.078 0.000 1.078 135 S CB 0.789 63.949 63.200 -0.068 0.000 0.987 135 S HN 0.078 8.342 8.310 -0.077 0.000 0.482 136 c N 4.324 122.873 118.600 -0.085 0.000 2.771 136 c HA 0.507 5.090 4.570 -0.062 -0.051 0.333 136 c C -1.485 172.564 174.090 -0.069 0.000 1.267 136 c CA -1.618 54.662 56.329 -0.083 0.000 1.721 136 c CB 4.258 46.693 42.510 -0.125 0.000 2.222 136 c HN 1.115 9.288 8.230 -0.096 0.000 0.485 137 E N -1.114 119.060 120.200 -0.042 0.000 2.238 137 E HA 1.026 5.510 4.350 -0.039 -0.158 0.267 137 E C -1.010 175.587 176.600 -0.005 0.000 0.887 137 E CA -2.201 54.185 56.400 -0.023 0.000 0.769 137 E CB 2.711 32.414 29.700 0.004 0.000 1.187 137 E HN 0.780 9.121 8.360 -0.033 0.000 0.416 138 I N -4.270 116.297 120.570 -0.005 0.000 2.797 138 I HA 1.078 5.494 4.170 0.066 -0.206 0.307 138 I C -1.112 174.997 176.117 -0.012 0.000 1.033 138 I CA -2.547 58.774 61.300 0.034 0.000 1.071 138 I CB 3.326 41.373 38.000 0.078 0.000 1.255 138 I HN 0.325 8.522 8.210 -0.022 0.000 0.445 139 T N 0.659 115.199 114.554 -0.023 0.000 2.864 139 T HA 0.583 4.922 4.350 -0.217 -0.119 0.299 139 T C -1.349 173.177 174.700 -0.290 0.000 1.166 139 T CA -2.048 59.926 62.100 -0.209 0.000 1.007 139 T CB 2.372 71.073 68.868 -0.278 0.000 1.219 139 T HN -0.256 8.019 8.240 0.058 0.000 0.506 140 G N 1.809 110.273 108.800 -0.559 0.000 2.361 140 G HA2 0.055 3.525 3.960 -0.816 0.000 0.305 140 G HA3 0.055 4.074 3.960 -0.090 -0.114 0.305 140 G C -1.621 173.025 174.900 -0.423 0.000 1.367 140 G CA 0.229 45.049 45.100 -0.467 0.000 0.951 140 G HN -0.204 7.714 8.290 -0.619 0.000 0.615 141 F N 0.667 120.561 119.950 -0.094 0.000 2.660 141 F HA 0.226 4.678 4.527 -0.125 0.000 0.302 141 F C 1.019 176.667 175.800 -0.254 0.000 1.103 141 F CA -0.720 57.168 58.000 -0.185 0.000 1.340 141 F CB 0.172 38.925 39.000 -0.412 0.000 1.048 141 F HN 0.465 8.850 8.300 0.142 0.000 0.551 142 G N 0.177 108.937 108.800 -0.066 0.000 2.712 142 G HA2 -0.071 3.543 3.960 -0.593 0.000 0.258 142 G HA3 -0.071 4.123 3.960 -0.087 -0.287 0.258 142 G C -0.875 174.033 174.900 0.013 0.000 1.241 142 G CA -0.469 44.523 45.100 -0.181 0.000 0.923 142 G HN -0.598 7.839 8.290 -0.019 -0.157 0.548 143 K N -0.880 119.600 120.400 0.134 0.000 2.440 143 K HA -0.284 4.206 4.320 0.283 0.000 0.270 143 K C -0.258 176.407 176.600 0.110 0.000 0.980 143 K CA 1.536 57.948 56.287 0.208 0.000 0.953 143 K CB 0.389 33.015 32.500 0.211 0.000 0.925 143 K HN 0.004 8.326 8.250 0.119 0.000 0.497 144 E N -1.257 119.002 120.200 0.098 0.000 2.476 144 E HA 0.179 4.822 4.350 0.027 -0.276 0.199 144 E C -0.739 175.889 176.600 0.045 0.000 1.021 144 E CA 0.396 56.828 56.400 0.052 0.000 0.907 144 E CB 1.330 31.062 29.700 0.054 0.000 0.974 144 E HN -0.155 8.417 8.360 0.118 -0.141 0.489 145 A N -2.425 120.432 122.820 0.062 0.000 2.555 145 A HA 0.385 4.736 4.320 0.051 0.000 0.297 145 A C -0.974 176.655 177.584 0.075 0.000 1.060 145 A CA -0.428 51.643 52.037 0.058 0.000 0.710 145 A CB 2.065 21.095 19.000 0.051 0.000 1.282 145 A HN -0.786 7.412 8.150 0.080 0.001 0.399 146 S N 2.268 118.012 115.700 0.073 0.000 2.469 146 S HA -0.182 4.348 4.470 0.099 0.000 0.238 146 S C 1.262 175.916 174.600 0.089 0.000 0.998 146 S CA 2.211 60.462 58.200 0.085 0.000 0.957 146 S CB -0.467 62.777 63.200 0.073 0.000 0.764 146 S HN 0.653 9.001 8.310 0.063 0.000 0.514 147 T N -3.054 111.549 114.554 0.083 0.000 3.081 147 T HA -0.012 4.394 4.350 0.094 0.000 0.255 147 T C 0.502 175.278 174.700 0.126 0.000 1.113 147 T CA 0.015 62.172 62.100 0.094 0.000 1.082 147 T CB -0.169 68.746 68.868 0.079 0.000 0.939 147 T HN -0.382 7.864 8.240 0.072 0.038 0.506 148 D N 2.952 123.412 120.400 0.100 0.000 2.361 148 D HA -0.064 4.616 4.640 0.066 0.000 0.239 148 D C -0.275 176.092 176.300 0.112 0.000 1.200 148 D CA 0.298 54.333 54.000 0.059 0.000 0.915 148 D CB 0.993 41.788 40.800 -0.007 0.000 1.170 148 D HN -0.460 7.803 8.370 0.088 0.159 0.444 149 Y N -5.092 115.219 120.300 0.019 0.000 2.527 149 Y HA 0.097 4.639 4.550 -0.013 0.000 0.247 149 Y C -1.480 174.366 175.900 -0.091 0.000 1.138 149 Y CA -0.077 58.010 58.100 -0.022 0.000 1.228 149 Y CB 0.478 38.926 38.460 -0.019 0.000 1.252 149 Y HN -0.139 7.854 8.280 -0.479 0.000 0.531 150 L N -1.560 119.437 121.223 -0.377 0.000 2.279 150 L HA 0.211 4.344 4.340 -0.345 0.000 0.262 150 L C -1.225 175.563 176.870 -0.137 0.000 1.019 150 L CA -1.339 53.312 54.840 -0.316 0.000 0.823 150 L CB 1.968 43.865 42.059 -0.270 0.000 1.358 150 L HN -0.834 7.127 8.230 -0.448 0.000 0.432 151 Y N -1.251 119.041 120.300 -0.012 0.000 2.496 151 Y HA 0.376 4.956 4.550 0.051 0.000 0.331 151 Y C -1.652 174.259 175.900 0.019 0.000 1.140 151 Y CA -3.751 54.367 58.100 0.031 0.000 1.166 151 Y CB -0.061 38.426 38.460 0.047 0.000 1.249 151 Y HN -0.030 8.176 8.280 -0.124 0.000 0.479 152 P HA 0.009 4.520 4.420 0.151 0.000 0.270 152 P C -1.572 175.831 177.300 0.170 0.000 1.223 152 P CA -0.427 62.802 63.100 0.216 0.000 0.785 152 P CB 1.413 33.305 31.700 0.320 0.000 0.923 153 E N -2.312 117.942 120.200 0.091 0.000 2.364 153 E HA -0.036 4.280 4.350 -0.056 0.000 0.196 153 E C 0.021 176.696 176.600 0.124 0.000 0.990 153 E CA 1.099 57.509 56.400 0.017 0.000 0.886 153 E CB 0.658 30.331 29.700 -0.046 0.000 0.866 153 E HN 0.327 8.724 8.360 0.062 0.000 0.493 154 Q N -1.012 118.872 119.800 0.139 0.000 2.266 154 Q HA 0.262 4.842 4.340 0.183 -0.131 0.261 154 Q C -0.196 175.969 176.000 0.274 0.000 0.985 154 Q CA -1.194 54.696 55.803 0.145 0.000 0.873 154 Q CB 1.723 30.323 28.738 -0.230 0.000 1.306 154 Q HN -0.546 7.780 8.270 0.093 0.000 0.447 155 L N 4.743 126.006 121.223 0.067 0.000 2.483 155 L HA -0.045 3.710 4.340 -0.976 0.000 0.276 155 L C -1.174 175.613 176.870 -0.137 0.000 1.213 155 L CA 0.961 55.545 54.840 -0.426 0.000 0.843 155 L CB 0.990 42.749 42.059 -0.501 0.000 1.107 155 L HN 0.145 8.438 8.230 0.105 0.000 0.487 156 K N 2.237 122.465 120.400 -0.287 0.000 2.433 156 K HA 0.918 5.319 4.320 -0.150 -0.170 0.252 156 K C -1.571 174.873 176.600 -0.261 0.000 1.015 156 K CA -1.753 54.407 56.287 -0.212 0.000 0.860 156 K CB 4.216 36.583 32.500 -0.223 0.000 1.359 156 K HN -0.317 7.632 8.250 -0.501 0.000 0.452 157 M N -1.100 118.375 119.600 -0.208 0.000 2.603 157 M HA 0.727 5.267 4.480 -0.166 -0.159 0.275 157 M C -2.506 173.715 176.300 -0.131 0.000 1.226 157 M CA -0.178 55.024 55.300 -0.164 0.000 0.870 157 M CB 4.720 37.232 32.600 -0.147 0.000 1.716 157 M HN 0.425 8.585 8.290 -0.216 0.000 0.482 158 T N 0.810 115.308 114.554 -0.094 0.000 2.718 158 T HA 0.417 4.893 4.350 -0.084 -0.176 0.306 158 T C -2.352 172.313 174.700 -0.058 0.000 1.485 158 T CA -1.015 61.038 62.100 -0.078 0.000 0.997 158 T CB 2.752 71.577 68.868 -0.072 0.000 1.504 158 T HN 0.040 8.232 8.240 -0.080 0.000 0.497 159 V N 3.033 122.912 119.914 -0.058 0.000 2.540 159 V HA 0.829 5.105 4.120 -0.055 -0.189 0.302 159 V C -1.482 174.572 176.094 -0.067 0.000 1.035 159 V CA -1.117 61.148 62.300 -0.058 0.000 0.873 159 V CB 2.538 34.328 31.823 -0.055 0.000 0.992 159 V HN 0.347 8.499 8.190 -0.062 0.000 0.428 160 V N 6.297 126.166 119.914 -0.076 0.000 3.160 160 V HA 0.356 4.419 4.120 -0.095 0.000 0.310 160 V C -2.500 173.531 176.094 -0.104 0.000 1.181 160 V CA -2.405 59.842 62.300 -0.088 0.000 1.047 160 V CB 5.224 37.010 31.823 -0.062 0.000 1.068 160 V HN 0.996 9.139 8.190 -0.079 0.000 0.441 161 K N 1.624 121.956 120.400 -0.113 0.000 2.208 161 K HA 0.780 5.234 4.320 -0.100 -0.194 0.247 161 K C -0.926 175.619 176.600 -0.092 0.000 0.953 161 K CA -2.349 53.877 56.287 -0.102 0.000 0.837 161 K CB 3.400 35.843 32.500 -0.095 0.000 1.131 161 K HN 0.277 8.451 8.250 -0.126 0.000 0.431 162 L N 0.232 121.411 121.223 -0.074 0.000 2.395 162 L HA 0.238 4.659 4.340 -0.078 -0.128 0.269 162 L C 0.403 177.288 176.870 0.025 0.000 1.133 162 L CA -0.082 54.729 54.840 -0.048 0.000 0.812 162 L CB 0.463 42.499 42.059 -0.037 0.000 1.125 162 L HN -0.015 8.169 8.230 -0.076 0.000 0.452 163 I N -3.934 116.642 120.570 0.011 0.000 3.170 163 I HA 0.467 4.718 4.170 0.135 0.000 0.312 163 I C -1.298 174.782 176.117 -0.062 0.000 1.085 163 I CA -2.032 59.286 61.300 0.030 0.000 0.999 163 I CB 2.818 40.823 38.000 0.007 0.000 1.233 163 I HN 0.331 8.523 8.210 -0.030 0.000 0.467 164 S N -1.695 113.893 115.700 -0.187 0.000 2.669 164 S HA 0.123 4.446 4.470 -0.244 0.000 0.270 164 S C 0.881 175.303 174.600 -0.296 0.000 1.225 164 S CA -0.866 57.152 58.200 -0.304 0.000 0.991 164 S CB 1.798 64.676 63.200 -0.535 0.000 0.987 164 S HN 0.317 8.500 8.310 -0.211 0.000 0.552 165 H N 2.598 121.616 119.070 -0.087 0.000 2.395 165 H HA -0.168 4.379 4.556 -0.015 0.000 0.299 165 H C 2.290 177.564 175.328 -0.090 0.000 1.070 165 H CA 4.555 60.575 56.048 -0.047 0.000 1.356 165 H CB -0.162 29.591 29.762 -0.015 0.000 1.401 165 H HN 0.703 8.948 8.280 -0.058 0.000 0.524 166 R N -0.834 119.655 120.500 -0.019 0.000 2.113 166 R HA -0.391 3.925 4.340 -0.039 0.000 0.244 166 R C 1.614 177.810 176.300 -0.173 0.000 1.142 166 R CA 3.369 59.418 56.100 -0.085 0.000 0.953 166 R CB -0.722 29.503 30.300 -0.124 0.000 0.860 166 R HN 0.381 8.647 8.270 -0.007 0.000 0.438 167 E N -2.204 117.848 120.200 -0.247 0.000 2.072 167 E HA -0.256 3.835 4.350 -0.432 0.000 0.190 167 E C 1.979 178.210 176.600 -0.614 0.000 0.982 167 E CA 2.578 58.730 56.400 -0.412 0.000 0.803 167 E CB -0.013 29.492 29.700 -0.326 0.000 0.755 167 E HN -0.615 7.599 8.360 -0.237 0.003 0.453 168 c N -0.926 117.499 118.600 -0.292 0.000 2.468 168 c HA -0.184 4.359 4.570 -0.044 0.000 0.277 168 c C -0.270 173.825 174.090 0.009 0.000 1.400 168 c CA 1.487 57.763 56.329 -0.088 0.000 1.770 168 c CB -0.746 41.806 42.510 0.070 0.000 1.905 168 c HN -0.445 7.589 8.230 -0.200 0.076 0.519 169 Q N -0.294 119.493 119.800 -0.023 0.000 2.673 169 Q HA 0.299 4.892 4.340 0.146 -0.166 0.224 169 Q C 0.435 176.435 176.000 0.000 0.000 1.226 169 Q CA -1.274 54.565 55.803 0.061 0.000 1.019 169 Q CB -1.543 27.245 28.738 0.084 0.000 1.312 169 Q HN 0.110 8.300 8.270 -0.074 0.036 0.566 170 H N -0.016 119.120 119.070 0.109 0.000 2.590 170 H HA -0.438 4.137 4.556 0.032 0.000 0.337 170 H C -0.588 174.778 175.328 0.063 0.000 0.901 170 H CA 1.790 57.885 56.048 0.079 0.000 1.152 170 H CB -1.238 28.560 29.762 0.059 0.000 1.429 170 H HN 0.419 9.033 8.280 0.556 0.000 0.391 171 Y N -1.512 118.594 120.300 -0.324 0.000 2.710 171 Y HA 0.440 4.863 4.550 -0.578 -0.220 0.117 171 Y C 1.109 176.784 175.900 -0.376 0.000 0.875 171 Y CA -0.648 57.156 58.100 -0.493 0.000 1.795 171 Y CB 1.747 39.940 38.460 -0.444 0.000 1.154 171 Y HN -0.486 7.846 8.280 0.087 0.000 0.308 172 Y N -3.995 116.436 120.300 0.220 0.000 2.588 172 Y HA 0.113 4.766 4.550 0.173 0.000 0.247 172 Y C -0.046 175.952 175.900 0.163 0.000 1.157 172 Y CA -1.248 56.971 58.100 0.199 0.000 1.215 172 Y CB 0.753 39.386 38.460 0.288 0.000 1.245 172 Y HN -0.293 8.093 8.280 0.177 0.000 0.534 173 G N 0.524 109.471 108.800 0.244 0.000 2.594 173 G HA2 -0.485 3.679 3.960 0.129 0.000 0.297 173 G HA3 -0.485 3.567 3.960 0.154 0.000 0.297 173 G C -0.216 174.791 174.900 0.178 0.000 1.273 173 G CA 1.187 46.389 45.100 0.170 0.000 0.974 173 G HN -0.679 7.729 8.290 0.197 0.000 0.552 174 S N 0.450 116.233 115.700 0.138 0.000 2.763 174 S HA 0.038 4.589 4.470 0.135 0.000 0.237 174 S C -0.113 174.574 174.600 0.147 0.000 0.966 174 S CA 0.184 58.460 58.200 0.127 0.000 1.017 174 S CB -0.602 62.646 63.200 0.080 0.000 0.780 174 S HN 0.250 8.629 8.310 0.114 0.000 0.476 175 E N 0.253 120.566 120.200 0.188 0.000 2.230 175 E HA -0.121 4.290 4.350 0.101 0.000 0.192 175 E C -0.731 176.015 176.600 0.244 0.000 0.987 175 E CA 1.216 57.705 56.400 0.148 0.000 0.841 175 E CB 0.646 30.403 29.700 0.096 0.000 0.783 175 E HN -0.256 8.132 8.360 0.232 0.112 0.481 176 V N -0.322 119.786 119.914 0.325 0.000 2.465 176 V HA 0.007 4.367 4.120 0.401 0.000 0.279 176 V C -0.790 175.451 176.094 0.245 0.000 1.045 176 V CA 0.568 63.072 62.300 0.341 0.000 0.938 176 V CB 0.704 32.737 31.823 0.349 0.000 0.986 176 V HN -0.906 7.445 8.190 0.315 0.028 0.467 177 T N 0.981 115.665 114.554 0.216 0.000 2.910 177 T HA 0.367 4.777 4.350 0.101 0.000 0.287 177 T C 0.757 175.482 174.700 0.042 0.000 1.050 177 T CA -2.505 59.674 62.100 0.132 0.000 1.011 177 T CB 2.834 71.804 68.868 0.171 0.000 1.195 177 T HN -0.656 7.724 8.240 0.234 0.000 0.540 178 T N -4.770 109.739 114.554 -0.075 0.000 2.977 178 T HA -0.233 3.796 4.350 -0.535 0.000 0.271 178 T C 1.001 175.597 174.700 -0.174 0.000 1.105 178 T CA 2.735 64.699 62.100 -0.226 0.000 1.116 178 T CB -0.583 68.201 68.868 -0.140 0.000 0.878 178 T HN 0.241 8.456 8.240 -0.041 0.000 0.509 179 K N 0.427 120.801 120.400 -0.042 0.000 2.437 179 K HA 0.160 4.306 4.320 -0.290 0.000 0.198 179 K C -1.268 175.392 176.600 0.099 0.000 1.024 179 K CA -0.485 55.772 56.287 -0.050 0.000 1.148 179 K CB -0.604 31.931 32.500 0.058 0.000 0.860 179 K HN -0.618 7.594 8.250 0.031 0.056 0.515 180 M N -2.234 117.437 119.600 0.119 0.000 2.690 180 M HA 0.691 5.427 4.480 0.182 -0.146 0.302 180 M C -1.837 174.589 176.300 0.209 0.000 1.234 180 M CA -0.912 54.495 55.300 0.179 0.000 0.853 180 M CB 5.594 38.315 32.600 0.201 0.000 1.748 180 M HN -0.211 8.033 8.290 0.097 0.104 0.469 181 L N -2.999 118.313 121.223 0.148 0.000 2.422 181 L HA 0.510 4.828 4.340 -0.036 0.000 0.264 181 L C -1.951 174.964 176.870 0.075 0.000 0.984 181 L CA -1.268 53.607 54.840 0.059 0.000 0.819 181 L CB 4.782 46.865 42.059 0.041 0.000 1.330 181 L HN 0.181 8.502 8.230 0.152 0.000 0.410 182 c N 0.777 119.374 118.600 -0.005 0.000 2.456 182 c HA 1.000 5.854 4.570 0.157 -0.189 0.325 182 c C -1.305 172.818 174.090 0.054 0.000 1.217 182 c CA -1.355 55.021 56.329 0.078 0.000 1.687 182 c CB 2.468 45.019 42.510 0.067 0.000 2.270 182 c HN 0.885 9.040 8.230 -0.126 0.000 0.499 183 A N 2.098 124.993 122.820 0.124 0.000 2.427 183 A HA 1.085 5.521 4.320 -0.036 -0.137 0.298 183 A C -2.455 175.153 177.584 0.040 0.000 1.036 183 A CA -0.986 51.056 52.037 0.008 0.000 0.701 183 A CB 3.329 22.236 19.000 -0.156 0.000 1.250 183 A HN 0.486 8.789 8.150 0.256 0.000 0.412 184 A N 1.890 124.669 122.820 -0.069 0.000 4.238 184 A HA 0.469 4.760 4.320 -0.049 0.000 0.196 184 A C -0.440 176.975 177.584 -0.281 0.000 0.732 184 A CA -0.649 51.286 52.037 -0.170 0.000 0.721 184 A CB 2.036 20.806 19.000 -0.383 0.000 1.642 184 A HN 0.647 8.737 8.150 -0.101 0.000 0.861 185 Q N -0.778 118.822 119.800 -0.334 0.000 2.053 185 Q HA -0.439 3.910 4.340 0.015 0.000 0.284 185 Q C -0.819 175.195 176.000 0.024 0.000 0.998 185 Q CA 0.758 56.499 55.803 -0.103 0.000 0.968 185 Q CB -1.550 27.172 28.738 -0.026 0.000 1.391 185 Q HN 0.515 8.614 8.270 -0.284 0.000 0.582 186 W N -7.973 113.318 121.300 -0.014 0.000 7.168 186 W HA -0.295 4.351 4.660 -0.022 0.000 0.415 186 W C -0.464 176.044 176.519 -0.018 0.000 1.614 186 W CA 0.086 57.417 57.345 -0.023 0.000 1.165 186 W CB -2.782 26.655 29.460 -0.038 0.000 2.824 186 W HN 0.013 7.641 8.180 -0.921 0.000 1.619 187 K N -2.843 117.606 120.400 0.083 0.000 2.262 187 K HA 0.194 4.559 4.320 0.076 0.000 0.200 187 K C 0.399 177.019 176.600 0.033 0.000 1.058 187 K CA 0.540 56.859 56.287 0.053 0.000 0.974 187 K CB 1.816 34.324 32.500 0.013 0.000 0.910 187 K HN -0.105 8.452 8.250 0.002 -0.306 0.484 188 T N -2.212 112.348 114.554 0.010 0.000 2.942 188 T HA 0.308 4.720 4.350 0.004 -0.060 0.289 188 T C -1.632 173.083 174.700 0.025 0.000 1.044 188 T CA -1.485 60.616 62.100 0.001 0.000 1.023 188 T CB 1.823 70.671 68.868 -0.033 0.000 1.123 188 T HN -0.403 7.831 8.240 -0.009 0.000 0.512 189 D N 2.199 122.618 120.400 0.032 0.000 2.808 189 D HA 0.153 4.836 4.640 0.072 0.000 0.294 189 D C -2.102 174.234 176.300 0.059 0.000 1.278 189 D CA -0.576 53.463 54.000 0.065 0.000 0.756 189 D CB 2.211 43.068 40.800 0.095 0.000 1.271 189 D HN -0.394 7.985 8.370 0.015 0.000 0.425 190 S N -1.558 114.190 115.700 0.080 0.000 2.669 190 S HA 0.131 4.631 4.470 0.049 0.000 0.270 190 S C -1.548 173.077 174.600 0.041 0.000 1.225 190 S CA -0.087 58.149 58.200 0.059 0.000 0.991 190 S CB 1.245 64.487 63.200 0.071 0.000 0.987 190 S HN 0.299 8.672 8.310 0.106 0.000 0.552 191 c N -1.050 117.574 118.600 0.040 0.000 3.316 191 c HA 0.289 4.893 4.570 0.057 0.000 0.360 191 c C -1.151 172.980 174.090 0.068 0.000 1.560 191 c CA -1.039 55.325 56.329 0.058 0.000 1.229 191 c CB 2.969 45.521 42.510 0.070 0.000 1.823 191 c HN 0.389 8.925 8.230 0.036 -0.285 0.440 192 Q N 1.247 121.110 119.800 0.105 0.000 2.349 192 Q HA -0.166 4.249 4.340 0.125 0.000 0.287 192 Q C 1.095 177.164 176.000 0.116 0.000 1.044 192 Q CA 2.255 58.143 55.803 0.142 0.000 0.918 192 Q CB 0.438 29.292 28.738 0.192 0.000 1.242 192 Q HN 0.518 8.855 8.270 0.111 0.000 0.405 193 G N 4.077 112.913 108.800 0.060 0.000 2.217 193 G HA2 -0.378 3.507 3.960 -0.125 0.000 0.246 193 G HA3 -0.378 3.107 3.960 -0.793 0.000 0.246 193 G C 0.277 175.131 174.900 -0.077 0.000 0.990 193 G CA 0.843 45.803 45.100 -0.232 0.000 0.627 193 G HN 0.690 9.046 8.290 0.111 0.000 0.522 194 D N 0.418 120.820 120.400 0.003 0.000 2.366 194 D HA 0.102 4.811 4.640 0.115 0.000 0.205 194 D C 0.339 176.679 176.300 0.066 0.000 1.022 194 D CA 0.727 54.765 54.000 0.064 0.000 0.868 194 D CB 0.792 41.623 40.800 0.053 0.000 0.953 194 D HN 0.087 8.371 8.370 0.018 0.097 0.514 195 S N -0.799 114.917 115.700 0.027 0.000 2.542 195 S HA -0.545 4.078 4.470 0.014 -0.145 0.287 195 S C 1.187 175.742 174.600 -0.074 0.000 1.315 195 S CA 3.317 61.508 58.200 -0.014 0.000 1.037 195 S CB 0.292 63.480 63.200 -0.020 0.000 0.822 195 S HN -0.436 7.896 8.310 0.037 0.000 0.513 196 G N 2.724 111.469 108.800 -0.092 0.000 2.328 196 G HA2 -0.494 3.485 3.960 -0.089 0.000 0.256 196 G HA3 -0.494 3.509 3.960 -0.134 -0.124 0.256 196 G C -0.054 174.865 174.900 0.031 0.000 1.014 196 G CA 0.421 45.474 45.100 -0.078 0.000 0.620 196 G HN 0.448 8.689 8.290 -0.081 0.000 0.530 197 G N 0.888 109.753 108.800 0.108 0.000 2.599 197 G HA2 0.315 4.414 3.960 0.232 0.000 0.264 197 G HA3 0.315 4.483 3.960 0.346 0.000 0.264 197 G C -2.751 172.286 174.900 0.230 0.000 1.200 197 G CA -1.900 43.345 45.100 0.241 0.000 0.896 197 G HN -0.522 7.688 8.290 0.091 0.135 0.536 198 P HA 0.568 5.229 4.420 0.159 -0.146 0.285 198 P C -1.884 175.512 177.300 0.160 0.000 1.269 198 P CA -1.521 61.699 63.100 0.201 0.000 0.844 198 P CB 2.209 34.044 31.700 0.225 0.000 1.094 199 L N 2.151 123.416 121.223 0.070 0.000 2.345 199 L HA 0.481 4.939 4.340 -0.043 -0.145 0.274 199 L C -1.800 175.037 176.870 -0.055 0.000 0.999 199 L CA -0.855 53.949 54.840 -0.060 0.000 0.849 199 L CB 1.875 43.771 42.059 -0.273 0.000 1.220 199 L HN -0.004 8.261 8.230 0.058 0.000 0.422 200 V N 8.418 128.313 119.914 -0.031 0.000 2.581 200 V HA 0.842 5.115 4.120 -0.094 -0.209 0.303 200 V C -1.120 174.940 176.094 -0.058 0.000 1.041 200 V CA -1.529 60.738 62.300 -0.055 0.000 0.907 200 V CB 2.778 34.592 31.823 -0.015 0.000 0.994 200 V HN 0.787 8.975 8.190 -0.004 0.000 0.442 201 c N 3.946 122.502 118.600 -0.074 0.000 3.236 201 c HA 0.417 4.956 4.570 -0.052 0.000 0.312 201 c C -1.501 172.554 174.090 -0.058 0.000 1.374 201 c CA -1.525 54.767 56.329 -0.062 0.000 1.455 201 c CB 4.227 46.695 42.510 -0.070 0.000 1.834 201 c HN 0.745 8.920 8.230 -0.091 0.000 0.460 202 S N 0.622 116.294 115.700 -0.045 0.000 2.541 202 S HA 0.872 5.547 4.470 -0.046 -0.232 0.283 202 S C -0.697 173.880 174.600 -0.039 0.000 1.196 202 S CA -0.947 57.229 58.200 -0.040 0.000 1.062 202 S CB 0.901 64.085 63.200 -0.027 0.000 1.009 202 S HN 0.356 8.639 8.310 -0.044 0.000 0.502 203 L N 1.945 123.146 121.223 -0.037 0.000 2.464 203 L HA 0.325 4.650 4.340 -0.026 0.000 0.266 203 L C -0.529 176.327 176.870 -0.023 0.000 0.965 203 L CA -0.153 54.670 54.840 -0.028 0.000 0.833 203 L CB 3.643 45.687 42.059 -0.026 0.000 1.296 203 L HN 0.627 8.725 8.230 -0.040 0.108 0.405 204 Q N 3.070 122.859 119.800 -0.017 0.000 2.407 204 Q HA -0.353 3.981 4.340 -0.011 0.000 0.277 204 Q C -0.538 175.454 176.000 -0.013 0.000 1.161 204 Q CA 1.333 57.129 55.803 -0.013 0.000 0.924 204 Q CB -1.284 27.448 28.738 -0.010 0.000 1.318 204 Q HN 0.939 9.199 8.270 -0.016 0.000 0.513 205 G N -5.696 103.095 108.800 -0.015 0.000 2.254 205 G HA2 -0.374 3.580 3.960 -0.010 0.000 0.225 205 G HA3 -0.374 3.581 3.960 -0.008 0.000 0.225 205 G C -0.740 174.152 174.900 -0.013 0.000 1.003 205 G CA -0.330 44.763 45.100 -0.011 0.000 0.622 205 G HN -0.065 8.175 8.290 -0.018 0.039 0.507 206 R N 0.243 120.729 120.500 -0.023 0.000 2.573 206 R HA 0.267 4.593 4.340 -0.023 0.000 0.272 206 R C -0.905 175.360 176.300 -0.058 0.000 1.009 206 R CA -1.497 54.582 56.100 -0.036 0.000 1.059 206 R CB 1.426 31.698 30.300 -0.047 0.000 1.112 206 R HN 0.186 8.278 8.270 -0.025 0.164 0.517 207 M N 2.011 121.561 119.600 -0.084 0.000 2.135 207 M HA 0.315 4.888 4.480 -0.088 -0.146 0.345 207 M C -0.215 175.949 176.300 -0.226 0.000 1.340 207 M CA -1.713 53.508 55.300 -0.132 0.000 1.162 207 M CB -1.200 31.319 32.600 -0.134 0.000 1.570 207 M HN 0.323 8.569 8.290 -0.073 0.000 0.454 208 T N 5.554 120.003 114.554 -0.175 0.000 2.888 208 T HA 0.424 4.801 4.350 -0.205 -0.150 0.284 208 T C -1.412 173.184 174.700 -0.173 0.000 1.017 208 T CA -0.624 61.374 62.100 -0.170 0.000 1.022 208 T CB 2.572 71.383 68.868 -0.095 0.000 1.013 208 T HN 0.993 9.157 8.240 -0.127 0.000 0.465 209 L N 5.852 126.975 121.223 -0.167 0.000 2.385 209 L HA 0.110 4.486 4.340 -0.131 -0.114 0.285 209 L C -0.435 176.403 176.870 -0.054 0.000 1.125 209 L CA -0.039 54.729 54.840 -0.119 0.000 0.890 209 L CB -0.162 41.837 42.059 -0.099 0.000 1.251 209 L HN 0.477 8.608 8.230 -0.165 0.000 0.445 210 T N 6.144 120.667 114.554 -0.052 0.000 2.976 210 T HA 0.149 4.496 4.350 -0.004 0.000 0.257 210 T C 0.141 174.841 174.700 0.001 0.000 1.051 210 T CA 3.024 65.108 62.100 -0.027 0.000 1.141 210 T CB 1.182 70.016 68.868 -0.058 0.000 0.881 210 T HN 0.129 8.325 8.240 -0.073 0.000 0.461 211 G N -2.338 106.455 108.800 -0.012 0.000 2.694 211 G HA2 0.717 4.978 3.960 0.109 0.000 0.290 211 G HA3 0.717 4.698 3.960 0.034 0.000 0.290 211 G C -3.346 171.645 174.900 0.152 0.000 1.386 211 G CA -0.864 44.279 45.100 0.072 0.000 0.872 211 G HN -0.566 7.699 8.290 -0.042 0.000 0.475 212 I N -1.192 119.516 120.570 0.231 0.000 2.465 212 I HA 0.539 5.014 4.170 0.183 -0.195 0.291 212 I C -0.275 175.980 176.117 0.229 0.000 1.014 212 I CA -1.322 60.089 61.300 0.186 0.000 1.093 212 I CB 3.690 41.731 38.000 0.067 0.000 1.267 212 I HN -0.447 7.993 8.210 0.247 -0.082 0.431 213 V N 7.359 127.385 119.914 0.186 0.000 2.540 213 V HA -0.259 3.527 4.120 -0.557 0.000 0.297 213 V C -1.182 174.856 176.094 -0.093 0.000 1.024 213 V CA 2.092 64.333 62.300 -0.097 0.000 1.105 213 V CB -0.867 30.973 31.823 0.027 0.000 0.938 213 V HN 0.645 8.958 8.190 0.204 0.000 0.482 214 S N 7.019 122.609 115.700 -0.184 0.000 3.334 214 S HA 0.450 5.119 4.470 0.179 -0.091 0.224 214 S C -1.332 173.401 174.600 0.222 0.000 0.959 214 S CA 0.508 58.764 58.200 0.093 0.000 0.815 214 S CB 1.989 65.282 63.200 0.154 0.000 0.861 214 S HN -0.180 7.835 8.310 -0.492 0.000 0.596 215 W N -2.466 118.773 121.300 -0.101 0.000 3.069 215 W HA 0.277 4.905 4.660 -0.053 0.000 0.390 215 W C -2.518 173.915 176.519 -0.143 0.000 1.130 215 W CA -1.306 55.987 57.345 -0.087 0.000 1.138 215 W CB 1.037 30.450 29.460 -0.077 0.000 1.497 215 W HN -0.521 7.392 8.180 -0.444 0.000 0.600 216 G N -3.457 105.430 108.800 0.145 0.000 2.384 216 G HA2 -0.033 3.800 3.960 -0.213 0.000 0.300 216 G HA3 -0.033 3.904 3.960 -0.038 0.000 0.300 216 G C -2.397 172.613 174.900 0.183 0.000 1.582 216 G CA 0.251 45.353 45.100 0.003 0.000 0.875 216 G HN -0.180 8.347 8.290 0.396 0.000 0.628 220 c N 1.333 119.974 118.600 0.068 0.000 2.446 220 c HA 0.201 4.951 4.570 0.079 -0.133 0.329 220 c C -0.329 173.807 174.090 0.075 0.000 1.166 220 c CA -0.645 55.728 56.329 0.073 0.000 1.341 220 c CB 0.702 43.254 42.510 0.070 0.000 1.970 220 c HN 0.305 8.570 8.230 0.059 0.000 0.452 221 A N 4.500 127.381 122.820 0.102 0.000 2.734 221 A HA -0.368 4.073 4.320 0.202 0.000 0.296 221 A C -1.958 175.696 177.584 0.117 0.000 1.474 221 A CA 0.815 52.937 52.037 0.141 0.000 0.735 221 A CB -1.690 17.373 19.000 0.104 0.000 1.062 221 A HN 0.738 9.313 8.150 0.109 -0.360 0.463 222 L N -2.086 119.178 121.223 0.068 0.000 2.638 222 L HA 0.002 4.302 4.340 -0.067 0.000 0.205 222 L C 1.007 177.679 176.870 -0.330 0.000 1.696 222 L CA -0.778 54.012 54.840 -0.084 0.000 3.037 222 L CB 0.769 42.771 42.059 -0.094 0.000 2.844 222 L HN -0.697 7.591 8.230 0.096 0.000 0.836 223 D N -3.806 115.223 120.400 -2.286 0.000 3.146 223 D HA -0.350 3.069 4.640 -2.036 0.000 0.200 223 D C -1.088 174.405 176.300 -1.345 0.000 1.153 223 D CA 1.967 54.882 54.000 -1.808 0.000 0.659 223 D CB -1.259 38.776 40.800 -1.274 0.000 1.072 223 D HN 0.192 6.113 8.370 -4.082 0.000 0.402 224 K N -3.100 116.779 120.400 -0.868 0.000 2.624 224 K HA 0.549 4.368 4.320 -0.835 0.000 0.200 224 K C -2.418 174.179 176.600 -0.006 0.000 1.036 224 K CA -4.106 51.911 56.287 -0.449 0.000 1.029 224 K CB 0.021 32.409 32.500 -0.186 0.000 1.317 224 K HN -0.663 6.994 8.250 -0.988 0.000 0.555 225 P HA -0.062 4.577 4.420 0.365 0.000 0.272 225 P C -1.008 176.419 177.300 0.211 0.000 1.254 225 P CA -0.163 63.104 63.100 0.278 0.000 0.795 225 P CB 0.986 32.847 31.700 0.269 0.000 1.022 226 G N -2.564 106.326 108.800 0.150 0.000 2.367 226 G HA2 0.516 4.396 3.960 -0.133 0.000 0.314 226 G HA3 0.516 4.475 3.960 -0.002 0.000 0.314 226 G C -2.085 172.705 174.900 -0.183 0.000 1.130 226 G CA -1.022 44.047 45.100 -0.052 0.000 0.864 226 G HN -0.267 8.147 8.290 0.206 0.000 0.486 227 V N 3.226 122.739 119.914 -0.668 0.000 2.513 227 V HA 0.688 4.832 4.120 -0.218 -0.154 0.299 227 V C -0.935 174.745 176.094 -0.689 0.000 1.035 227 V CA -1.000 60.890 62.300 -0.684 0.000 0.889 227 V CB 2.193 33.062 31.823 -1.590 0.000 0.988 227 V HN 0.319 8.019 8.190 -0.815 0.000 0.440 228 Y N 4.336 124.525 120.300 -0.185 0.000 2.602 228 Y HA 0.627 5.270 4.550 -0.052 -0.124 0.342 228 Y C 0.222 176.127 175.900 0.008 0.000 1.029 228 Y CA -2.323 55.740 58.100 -0.062 0.000 1.080 228 Y CB 3.704 42.144 38.460 -0.033 0.000 1.284 228 Y HN 1.095 9.484 8.280 0.182 0.000 0.485 229 T N 3.402 118.068 114.554 0.187 0.000 2.832 229 T HA 0.037 4.503 4.350 0.194 0.000 0.296 229 T C -0.771 174.058 174.700 0.216 0.000 0.968 229 T CA 1.519 63.716 62.100 0.162 0.000 1.107 229 T CB 0.582 69.448 68.868 -0.002 0.000 0.916 229 T HN 0.328 8.675 8.240 0.179 0.000 0.517 230 R N 8.056 128.723 120.500 0.278 0.000 2.429 230 R HA 0.037 4.460 4.340 0.139 0.000 0.302 230 R C 1.197 177.701 176.300 0.339 0.000 1.268 230 R CA -0.213 56.001 56.100 0.190 0.000 1.090 230 R CB -0.442 29.846 30.300 -0.022 0.000 1.102 230 R HN -0.017 8.458 8.270 0.342 0.000 0.522 231 V N 8.038 128.113 119.914 0.268 0.000 2.282 231 V HA -0.597 3.762 4.120 0.398 0.000 0.249 231 V C 1.335 177.568 176.094 0.231 0.000 1.057 231 V CA 4.365 66.833 62.300 0.281 0.000 1.032 231 V CB -0.221 31.681 31.823 0.131 0.000 0.645 231 V HN -0.042 8.257 8.190 0.182 0.000 0.447 232 S N -0.599 115.189 115.700 0.147 0.000 2.462 232 S HA -0.378 4.074 4.470 -0.030 0.000 0.243 232 S C 1.271 175.755 174.600 -0.193 0.000 1.003 232 S CA 3.333 61.553 58.200 0.033 0.000 0.970 232 S CB -0.309 62.959 63.200 0.114 0.000 0.762 232 S HN 0.378 8.777 8.310 0.148 0.000 0.510 233 H N 0.113 119.002 119.070 -0.302 0.000 2.575 233 H HA 0.079 4.117 4.556 -0.863 0.000 0.267 233 H C 0.488 175.406 175.328 -0.683 0.000 0.966 233 H CA 1.685 57.388 56.048 -0.574 0.000 1.165 233 H CB 0.406 29.902 29.762 -0.442 0.000 1.433 233 H HN -0.562 7.773 8.280 0.210 0.071 0.544 234 F N -3.000 116.964 119.950 0.024 0.000 2.704 234 F HA 0.019 4.633 4.527 0.144 0.000 0.304 234 F C 0.475 176.361 175.800 0.144 0.000 1.094 234 F CA 0.907 58.977 58.000 0.117 0.000 1.275 234 F CB 1.069 40.147 39.000 0.131 0.000 1.073 234 F HN -0.118 8.071 8.300 0.119 0.183 0.586 235 L N 0.924 122.212 121.223 0.108 0.000 2.054 235 L HA -0.376 4.017 4.340 0.089 0.000 0.220 235 L C -0.848 176.073 176.870 0.084 0.000 1.081 235 L CA 5.534 60.407 54.840 0.054 0.000 0.780 235 L CB -3.384 38.628 42.059 -0.078 0.000 0.893 235 L HN -0.577 7.647 8.230 -0.010 0.000 0.438 236 P HA -0.213 4.234 4.420 0.044 0.000 0.215 236 P C 1.494 178.889 177.300 0.158 0.000 1.153 236 P CA 3.117 66.278 63.100 0.101 0.000 0.853 236 P CB -0.487 31.279 31.700 0.110 0.000 0.788 237 W N -1.071 120.303 121.300 0.123 0.000 2.354 237 W HA -0.210 4.561 4.660 0.184 0.000 0.315 237 W C 2.165 178.805 176.519 0.202 0.000 1.206 237 W CA 3.857 61.329 57.345 0.213 0.000 1.290 237 W CB -0.104 29.582 29.460 0.378 0.000 1.152 237 W HN -0.556 7.871 8.180 0.442 0.018 0.489 238 I N -0.559 120.119 120.570 0.181 0.000 2.118 238 I HA -0.737 3.134 4.170 -0.498 0.000 0.241 238 I C 2.267 178.227 176.117 -0.261 0.000 1.070 238 I CA 4.693 65.897 61.300 -0.160 0.000 1.327 238 I CB -0.559 37.457 38.000 0.026 0.000 1.034 238 I HN -0.194 8.309 8.210 0.488 0.000 0.405 239 R N -0.518 119.900 120.500 -0.137 0.000 2.094 239 R HA -0.366 3.859 4.340 -0.192 0.000 0.239 239 R C 2.556 178.725 176.300 -0.217 0.000 1.137 239 R CA 3.234 59.237 56.100 -0.162 0.000 0.943 239 R CB -0.112 30.137 30.300 -0.085 0.000 0.850 239 R HN 0.134 8.381 8.270 -0.037 0.000 0.433 240 S N -2.685 112.882 115.700 -0.222 0.000 2.465 240 S HA -0.117 4.209 4.470 -0.240 0.000 0.241 240 S C 0.831 175.123 174.600 -0.513 0.000 1.000 240 S CA 2.591 60.593 58.200 -0.329 0.000 0.964 240 S CB -0.329 62.670 63.200 -0.334 0.000 0.763 240 S HN 0.025 8.136 8.310 -0.151 0.108 0.512 241 H N -0.301 118.492 119.070 -0.461 0.000 2.615 241 H HA 0.255 4.606 4.556 -0.342 0.000 0.275 241 H C 0.148 175.111 175.328 -0.609 0.000 0.981 241 H CA 1.403 57.144 56.048 -0.511 0.000 1.252 241 H CB 1.489 30.824 29.762 -0.712 0.000 1.447 241 H HN -0.305 7.573 8.280 -0.377 0.176 0.498 242 T N 0.000 114.177 114.554 -0.629 0.000 3.816 242 T HA 0.000 3.602 4.350 -1.246 0.000 0.228 242 T CA 0.000 61.611 62.100 -0.815 0.000 1.349 242 T CB 0.000 68.320 68.868 -0.913 0.000 0.612 242 T HN 0.000 7.921 8.240 -0.532 0.000 0.658