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 1o5b_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 WKTDAcQGDS 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 4.162 4.170 -0.014 0.000 0.288 16 I C 0.000 176.090 176.117 -0.045 0.000 1.063 16 I CA 0.000 61.275 61.300 -0.042 0.000 1.566 16 I CB 0.000 37.942 38.000 -0.097 0.000 1.214 17 I N 4.609 125.165 120.570 -0.024 0.000 2.353 17 I HA 0.403 4.725 4.170 -0.024 -0.166 0.293 17 I C 0.722 176.808 176.117 -0.051 0.000 0.992 17 I CA -2.456 58.831 61.300 -0.021 0.000 1.268 17 I CB -1.007 37.001 38.000 0.014 0.000 1.387 17 I HN 0.388 8.593 8.210 -0.009 0.000 0.478 18 G N 4.852 113.606 108.800 -0.076 0.000 2.562 18 G HA2 -0.385 3.517 3.960 -0.098 0.000 0.250 18 G HA3 -0.385 3.534 3.960 -0.068 0.000 0.250 18 G C -1.050 173.760 174.900 -0.151 0.000 1.269 18 G CA -0.097 44.945 45.100 -0.096 0.000 0.919 18 G HN 0.278 8.524 8.290 -0.073 0.000 0.574 19 G N 1.569 110.287 108.800 -0.137 0.000 2.698 19 G HA2 -0.397 3.490 3.960 -0.127 0.000 0.225 19 G HA3 -0.397 3.504 3.960 -0.189 -0.055 0.225 19 G C -1.552 173.217 174.900 -0.220 0.000 1.345 19 G CA -0.354 44.645 45.100 -0.167 0.000 0.871 19 G HN -0.096 8.131 8.290 -0.105 0.000 0.540 20 E N -2.391 117.668 120.200 -0.235 0.000 2.410 20 E HA 0.390 4.579 4.350 -0.268 0.000 0.269 20 E C -1.269 175.162 176.600 -0.281 0.000 0.937 20 E CA -2.115 54.149 56.400 -0.227 0.000 0.793 20 E CB 2.671 32.313 29.700 -0.097 0.000 1.314 20 E HN 0.091 8.326 8.360 -0.209 0.000 0.447 21 F N -0.097 119.814 119.950 -0.065 0.000 2.371 21 F HA 0.583 5.180 4.527 -0.103 -0.132 0.329 21 F C 0.745 176.489 175.800 -0.092 0.000 1.107 21 F CA 0.585 58.537 58.000 -0.080 0.000 1.137 21 F CB 2.036 41.004 39.000 -0.053 0.000 1.214 21 F HN 0.257 8.570 8.300 0.022 0.000 0.536 22 T N -2.606 111.998 114.554 0.083 0.000 2.647 22 T HA 0.369 4.722 4.350 0.005 0.000 0.295 22 T C -1.981 172.698 174.700 -0.036 0.000 1.126 22 T CA -2.221 59.870 62.100 -0.016 0.000 1.040 22 T CB 2.535 71.347 68.868 -0.094 0.000 1.472 22 T HN 0.693 8.892 8.240 0.103 0.103 0.500 23 T N -3.156 111.361 114.554 -0.063 0.000 2.916 23 T HA 0.279 4.606 4.350 -0.039 0.000 0.292 23 T C 0.332 174.976 174.700 -0.093 0.000 1.064 23 T CA -1.916 60.152 62.100 -0.055 0.000 1.011 23 T CB 2.341 71.188 68.868 -0.034 0.000 1.152 23 T HN -0.521 7.676 8.240 -0.071 0.000 0.510 24 I N 1.739 122.271 120.570 -0.064 0.000 2.614 24 I HA -0.266 3.827 4.170 -0.129 0.000 0.258 24 I C 1.231 177.270 176.117 -0.131 0.000 1.189 24 I CA 0.601 61.852 61.300 -0.082 0.000 1.462 24 I CB 0.213 38.224 38.000 0.017 0.000 1.092 24 I HN 0.517 8.713 8.210 -0.023 0.000 0.442 25 E N -2.229 117.914 120.200 -0.096 0.000 2.187 25 E HA -0.312 4.135 4.350 -0.096 -0.155 0.199 25 E C 0.648 177.150 176.600 -0.162 0.000 1.004 25 E CA 2.550 58.889 56.400 -0.103 0.000 0.813 25 E CB -0.731 28.932 29.700 -0.061 0.000 0.736 25 E HN 0.540 8.826 8.360 -0.065 0.035 0.468 26 N N -3.811 114.788 118.700 -0.168 0.000 2.446 26 N HA -0.070 4.582 4.740 -0.146 0.000 0.179 26 N C -0.081 175.235 175.510 -0.324 0.000 1.054 26 N CA 1.290 54.228 53.050 -0.186 0.000 0.905 26 N CB 0.890 39.301 38.487 -0.125 0.000 0.973 26 N HN -0.635 7.625 8.380 -0.141 0.035 0.448 27 Q N -2.735 116.792 119.800 -0.457 0.000 2.903 27 Q HA 0.472 4.110 4.340 -1.169 0.000 0.342 27 Q C -1.936 173.516 176.000 -0.914 0.000 0.808 27 Q CA -1.977 53.360 55.803 -0.777 0.000 1.004 27 Q CB 0.310 28.817 28.738 -0.385 0.000 1.470 27 Q HN -0.077 7.795 8.270 -0.352 0.187 0.387 28 P HA 0.052 4.495 4.420 -0.241 -0.168 0.239 28 P C -0.348 176.830 177.300 -0.204 0.000 1.184 28 P CA 1.547 64.386 63.100 -0.436 0.000 0.760 28 P CB 0.007 31.530 31.700 -0.296 0.000 0.884 29 W N -4.866 116.512 121.300 0.131 0.000 3.220 29 W HA 0.412 5.264 4.660 0.093 -0.137 0.328 29 W C -1.196 175.412 176.519 0.149 0.000 1.205 29 W CA -3.481 53.933 57.345 0.115 0.000 1.773 29 W CB -0.666 28.846 29.460 0.087 0.000 1.086 29 W HN -0.689 6.483 8.180 -1.515 0.099 0.622 30 F N 4.162 124.141 119.950 0.048 0.000 2.456 30 F HA 0.331 5.167 4.527 0.234 -0.169 0.358 30 F C -1.980 173.918 175.800 0.163 0.000 1.095 30 F CA -0.132 57.949 58.000 0.134 0.000 1.216 30 F CB 1.843 40.852 39.000 0.016 0.000 1.125 30 F HN -0.223 7.920 8.300 0.013 0.164 0.549 31 A N 6.563 129.058 122.820 -0.541 0.000 2.342 31 A HA 0.763 5.209 4.320 -0.016 -0.136 0.323 31 A C -2.439 174.865 177.584 -0.466 0.000 1.125 31 A CA -2.324 49.549 52.037 -0.273 0.000 0.785 31 A CB 3.363 22.297 19.000 -0.110 0.000 1.221 31 A HN 0.509 8.090 8.150 -0.772 0.105 0.463 32 A N 2.467 125.312 122.820 0.042 0.000 2.288 32 A HA 0.471 4.923 4.320 0.220 0.000 0.320 32 A C -2.001 175.730 177.584 0.245 0.000 1.217 32 A CA -1.883 50.330 52.037 0.294 0.000 0.840 32 A CB 1.797 21.208 19.000 0.686 0.000 1.179 32 A HN 0.678 8.960 8.150 0.221 0.000 0.504 33 I N 3.485 124.007 120.570 -0.081 0.000 2.404 33 I HA 0.716 5.233 4.170 0.283 -0.178 0.293 33 I C -1.155 174.867 176.117 -0.159 0.000 0.992 33 I CA -1.171 60.142 61.300 0.021 0.000 1.149 33 I CB 1.913 39.899 38.000 -0.023 0.000 1.315 33 I HN 0.126 8.135 8.210 -0.334 0.000 0.446 34 Y N 4.610 125.029 120.300 0.199 0.000 2.633 34 Y HA 0.730 5.460 4.550 0.114 -0.111 0.339 34 Y C -1.328 174.691 175.900 0.199 0.000 1.045 34 Y CA -2.251 55.963 58.100 0.191 0.000 1.098 34 Y CB 4.613 43.223 38.460 0.249 0.000 1.296 34 Y HN 1.076 9.715 8.280 0.597 0.000 0.494 35 R N -0.556 120.099 120.500 0.258 0.000 2.621 35 R HA 0.798 5.272 4.340 -0.079 -0.182 0.292 35 R C -1.192 175.127 176.300 0.031 0.000 0.969 35 R CA -1.917 54.186 56.100 0.005 0.000 0.887 35 R CB 4.492 34.709 30.300 -0.139 0.000 1.180 35 R HN 0.868 9.308 8.270 0.282 0.000 0.450 36 R N 5.516 125.998 120.500 -0.030 0.000 2.349 36 R HA 0.155 4.514 4.340 0.032 0.000 0.299 36 R C -0.943 175.340 176.300 -0.029 0.000 1.027 36 R CA -0.275 55.823 56.100 -0.003 0.000 0.958 36 R CB 0.880 31.176 30.300 -0.006 0.000 1.047 36 R HN 0.711 8.921 8.270 -0.099 0.000 0.468 37 S N 0.584 116.293 115.700 0.015 0.000 3.309 37 S HA -0.350 4.133 4.470 0.022 0.000 0.475 37 S C -0.581 174.043 174.600 0.042 0.000 1.207 37 S CA 1.200 59.416 58.200 0.026 0.000 0.905 37 S CB 0.224 63.442 63.200 0.029 0.000 0.735 37 S HN 0.096 8.414 8.310 0.013 0.000 0.396 38 V N -1.930 118.021 119.914 0.063 0.000 2.540 38 V HA 0.664 5.058 4.120 0.101 -0.214 0.302 38 V C -0.763 175.443 176.094 0.186 0.000 1.035 38 V CA -1.730 60.637 62.300 0.111 0.000 0.873 38 V CB 2.258 34.128 31.823 0.078 0.000 0.992 38 V HN -0.150 8.074 8.190 0.056 0.000 0.428 39 T N 1.935 116.627 114.554 0.230 0.000 2.924 39 T HA 0.229 4.745 4.350 0.278 0.000 0.291 39 T C -1.641 173.266 174.700 0.344 0.000 1.045 39 T CA -2.206 60.052 62.100 0.263 0.000 1.015 39 T CB 2.364 71.326 68.868 0.157 0.000 1.103 39 T HN 0.356 8.714 8.240 0.197 0.000 0.496 40 Y N 3.481 123.878 120.300 0.162 0.000 2.336 40 Y HA -0.024 4.394 4.550 -0.393 -0.104 0.331 40 Y C -1.241 174.682 175.900 0.038 0.000 1.211 40 Y CA 1.253 59.304 58.100 -0.082 0.000 1.346 40 Y CB 0.976 39.377 38.460 -0.099 0.000 1.271 40 Y HN 0.233 8.762 8.280 0.414 0.000 0.538 41 V N 5.352 124.903 119.914 -0.606 0.000 3.240 41 V HA 0.010 4.049 4.120 -0.136 0.000 0.218 41 V C -1.328 174.395 176.094 -0.618 0.000 1.190 41 V CA 0.691 62.759 62.300 -0.387 0.000 1.280 41 V CB 2.130 33.818 31.823 -0.225 0.000 1.244 41 V HN 0.453 7.966 8.190 -1.128 0.000 0.512 42 c N -5.237 112.861 118.600 -0.837 0.000 3.340 42 c HA 0.176 4.519 4.570 -0.377 0.000 0.333 42 c C -1.723 172.096 174.090 -0.451 0.000 1.464 42 c CA -0.717 55.283 56.329 -0.548 0.000 1.337 42 c CB 3.917 46.180 42.510 -0.413 0.000 1.740 42 c HN -0.739 6.991 8.230 -0.833 0.000 0.450 43 G N -1.400 107.351 108.800 -0.082 0.000 2.531 43 G HA2 0.770 4.759 3.960 -0.171 0.000 0.313 43 G HA3 0.770 4.851 3.960 0.201 0.000 0.313 43 G C -2.384 172.417 174.900 -0.166 0.000 1.238 43 G CA -1.357 43.705 45.100 -0.063 0.000 0.994 43 G HN 0.473 8.748 8.290 -0.026 0.000 0.493 44 G N -3.752 104.861 108.800 -0.311 0.000 2.548 44 G HA2 0.611 4.821 3.960 -0.032 0.000 0.301 44 G HA3 0.611 4.511 3.960 -0.101 0.000 0.301 44 G C -2.745 172.099 174.900 -0.092 0.000 1.349 44 G CA 0.222 45.249 45.100 -0.123 0.000 0.792 44 G HN -0.350 7.494 8.290 -0.745 0.000 0.481 45 S N -0.956 114.759 115.700 0.024 0.000 2.549 45 S HA 0.878 5.685 4.470 0.187 -0.224 0.280 45 S C -1.601 173.059 174.600 0.100 0.000 1.109 45 S CA -0.780 57.496 58.200 0.127 0.000 0.905 45 S CB 4.354 67.645 63.200 0.152 0.000 1.081 45 S HN 0.277 8.601 8.310 0.022 0.000 0.477 46 L N 4.199 125.512 121.223 0.150 0.000 2.281 46 L HA 0.254 4.760 4.340 0.062 -0.129 0.285 46 L C -1.007 175.925 176.870 0.102 0.000 1.074 46 L CA -0.122 54.782 54.840 0.107 0.000 0.817 46 L CB 0.897 43.030 42.059 0.125 0.000 1.168 46 L HN 0.491 8.768 8.230 0.249 0.103 0.434 47 M N 6.058 125.708 119.600 0.084 0.000 2.429 47 M HA 0.069 4.565 4.480 0.026 0.000 0.265 47 M C 0.099 176.437 176.300 0.065 0.000 1.120 47 M CA 2.446 57.780 55.300 0.057 0.000 1.173 47 M CB 1.551 34.179 32.600 0.047 0.000 1.343 47 M HN 0.607 8.955 8.290 0.097 0.000 0.464 48 S N -4.521 111.241 115.700 0.103 0.000 2.656 48 S HA 0.448 4.962 4.470 0.074 0.000 0.273 48 S C -1.795 172.853 174.600 0.079 0.000 1.168 48 S CA -1.861 56.400 58.200 0.102 0.000 0.817 48 S CB 0.984 64.269 63.200 0.142 0.000 1.146 48 S HN -0.829 7.559 8.310 0.131 0.000 0.475 49 P HA -0.168 4.246 4.420 -0.010 0.000 0.216 49 P C -0.003 177.233 177.300 -0.107 0.000 1.154 49 P CA 2.578 65.672 63.100 -0.010 0.000 0.865 49 P CB 0.084 31.790 31.700 0.009 0.000 0.789 50 c N -7.995 110.539 118.600 -0.110 0.000 3.038 50 c HA 0.271 4.614 4.570 -0.378 0.000 0.279 50 c C -1.043 172.755 174.090 -0.486 0.000 1.276 50 c CA -1.007 55.114 56.329 -0.345 0.000 1.697 50 c CB -1.025 41.226 42.510 -0.431 0.000 2.032 50 c HN -0.007 8.218 8.230 0.004 0.008 0.636 51 W N -1.381 119.839 121.300 -0.133 0.000 2.656 51 W HA 0.511 5.262 4.660 -0.141 -0.175 0.327 51 W C -1.636 174.814 176.519 -0.115 0.000 1.041 51 W CA -1.164 56.106 57.345 -0.125 0.000 1.229 51 W CB 2.796 32.198 29.460 -0.097 0.000 1.397 51 W HN -0.424 7.708 8.180 0.108 0.112 0.479 52 V N 2.477 122.469 119.914 0.129 0.000 2.628 52 V HA 0.827 5.170 4.120 0.058 -0.189 0.306 52 V C -1.871 174.269 176.094 0.077 0.000 1.045 52 V CA -1.604 60.727 62.300 0.051 0.000 0.905 52 V CB 3.677 35.477 31.823 -0.039 0.000 0.997 52 V HN 0.992 9.254 8.190 0.120 0.000 0.436 53 I N 6.008 126.612 120.570 0.058 0.000 2.474 53 I HA 0.823 5.197 4.170 0.059 -0.169 0.294 53 I C -2.142 173.994 176.117 0.033 0.000 1.005 53 I CA -2.494 58.838 61.300 0.054 0.000 1.113 53 I CB 2.769 40.804 38.000 0.059 0.000 1.289 53 I HN 0.609 8.850 8.210 0.053 0.000 0.436 54 S N 6.671 122.389 115.700 0.030 0.000 3.341 54 S HA 0.529 5.207 4.470 0.012 -0.201 0.326 54 S C -2.134 172.460 174.600 -0.011 0.000 1.178 54 S CA -1.904 56.313 58.200 0.028 0.000 1.002 54 S CB 2.183 65.448 63.200 0.109 0.000 1.385 54 S HN 0.321 8.650 8.310 0.032 0.000 0.710 55 A N -1.295 121.490 122.820 -0.057 0.000 2.350 55 A HA 0.483 4.843 4.320 -0.154 -0.132 0.324 55 A C 0.768 178.247 177.584 -0.176 0.000 1.118 55 A CA -1.349 50.577 52.037 -0.184 0.000 0.783 55 A CB 1.865 20.651 19.000 -0.357 0.000 1.236 55 A HN 0.219 8.339 8.150 -0.051 0.000 0.457 56 T N 5.732 120.156 114.554 -0.216 0.000 2.788 56 T HA -0.396 3.950 4.350 -0.006 0.000 0.268 56 T C 1.568 176.010 174.700 -0.430 0.000 1.044 56 T CA 4.712 66.655 62.100 -0.262 0.000 1.139 56 T CB -0.156 68.454 68.868 -0.430 0.000 0.867 56 T HN 0.482 8.599 8.240 -0.222 -0.010 0.454 57 H N -0.745 117.981 119.070 -0.574 0.000 2.518 57 H HA -0.283 3.951 4.556 -0.536 0.000 0.292 57 H C 0.846 175.955 175.328 -0.365 0.000 1.068 57 H CA 2.566 58.312 56.048 -0.503 0.000 1.275 57 H CB -0.658 28.738 29.762 -0.610 0.000 1.375 57 H HN -0.057 8.268 8.280 -0.496 -0.343 0.563 58 c N -1.883 116.330 118.600 -0.645 0.000 2.446 58 c HA -0.168 4.124 4.570 -0.464 0.000 0.279 58 c C -0.095 173.445 174.090 -0.916 0.000 1.366 58 c CA 1.969 57.817 56.329 -0.802 0.000 1.763 58 c CB -1.476 40.322 42.510 -1.187 0.000 1.929 58 c HN -0.773 6.967 8.230 -0.733 0.050 0.509 59 F N -1.828 117.996 119.950 -0.210 0.000 2.457 59 F HA 0.417 4.912 4.527 -0.054 0.000 0.330 59 F C -0.986 174.789 175.800 -0.041 0.000 1.069 59 F CA -2.371 55.546 58.000 -0.139 0.000 1.009 59 F CB 0.742 39.585 39.000 -0.261 0.000 1.276 59 F HN -0.552 7.399 8.300 -0.350 0.139 0.492 60 P HA 0.322 4.933 4.420 0.319 0.000 0.445 60 P C -1.607 175.821 177.300 0.213 0.000 1.222 60 P CA -0.183 63.059 63.100 0.237 0.000 1.585 60 P CB 0.376 32.161 31.700 0.141 0.000 2.283 61 K N 0.781 121.337 120.400 0.261 0.000 2.210 61 K HA 0.244 4.638 4.320 0.122 0.000 0.236 61 K C 0.941 177.687 176.600 0.244 0.000 1.016 61 K CA -1.365 55.020 56.287 0.163 0.000 0.913 61 K CB 0.934 33.477 32.500 0.073 0.000 1.141 61 K HN -0.372 8.074 8.250 0.327 0.000 0.462 62 E N -1.779 118.485 120.200 0.106 0.000 3.820 62 E HA -0.387 3.995 4.350 0.053 0.000 0.244 62 E C 1.605 178.225 176.600 0.033 0.000 0.698 62 E CA 2.814 59.248 56.400 0.056 0.000 0.976 62 E CB -0.264 29.452 29.700 0.027 0.000 1.529 62 E HN 0.813 9.229 8.360 0.092 0.000 0.419 63 D N -2.076 118.315 120.400 -0.014 0.000 2.328 63 D HA 0.107 4.707 4.640 -0.065 0.000 0.221 63 D C -1.493 174.698 176.300 -0.182 0.000 1.072 63 D CA -0.143 53.780 54.000 -0.130 0.000 0.850 63 D CB 0.381 41.041 40.800 -0.234 0.000 0.922 63 D HN 0.047 8.315 8.370 0.010 0.108 0.516 64 Y N -1.874 118.474 120.300 0.079 0.000 2.420 64 Y HA 0.515 5.319 4.550 0.139 -0.171 0.334 64 Y C -0.742 175.215 175.900 0.095 0.000 1.094 64 Y CA -0.421 57.749 58.100 0.116 0.000 1.126 64 Y CB 2.800 41.351 38.460 0.151 0.000 1.217 64 Y HN -0.619 7.627 8.280 0.213 0.162 0.462 65 I N -0.333 120.419 120.570 0.303 0.000 2.545 65 I HA 0.422 4.783 4.170 0.091 -0.136 0.292 65 I C -1.476 174.794 176.117 0.255 0.000 1.040 65 I CA -2.498 58.907 61.300 0.175 0.000 1.068 65 I CB 3.071 41.147 38.000 0.127 0.000 1.251 65 I HN 0.655 8.998 8.210 0.396 0.104 0.424 66 V N 6.330 126.316 119.914 0.119 0.000 2.495 66 V HA 0.612 5.112 4.120 0.322 -0.187 0.298 66 V C -1.598 174.571 176.094 0.124 0.000 1.031 66 V CA -1.596 60.827 62.300 0.205 0.000 0.871 66 V CB 2.572 34.483 31.823 0.145 0.000 0.988 66 V HN 0.449 8.652 8.190 0.022 0.000 0.432 67 Y N 4.755 125.259 120.300 0.339 0.000 2.425 67 Y HA 0.812 5.749 4.550 0.267 -0.227 0.344 67 Y C -1.045 175.031 175.900 0.293 0.000 0.969 67 Y CA -1.937 56.341 58.100 0.297 0.000 1.052 67 Y CB 4.143 42.763 38.460 0.266 0.000 1.215 67 Y HN 0.858 9.462 8.280 0.540 0.000 0.451 68 L N -0.597 120.885 121.223 0.432 0.000 2.341 68 L HA 0.561 5.074 4.340 0.288 0.000 0.267 68 L C 0.713 177.757 176.870 0.289 0.000 1.009 68 L CA -1.530 53.505 54.840 0.325 0.000 0.819 68 L CB 3.679 45.927 42.059 0.314 0.000 1.323 68 L HN 0.508 8.993 8.230 0.426 0.000 0.425 69 G N -1.223 107.714 108.800 0.228 0.000 2.246 69 G HA2 -0.454 3.727 3.960 0.126 0.000 0.273 69 G HA3 -0.454 3.596 3.960 0.150 0.000 0.273 69 G C -1.514 173.497 174.900 0.184 0.000 1.055 69 G CA 0.305 45.506 45.100 0.168 0.000 0.851 69 G HN 0.518 8.937 8.290 0.215 0.000 0.500 70 R N -1.761 118.891 120.500 0.253 0.000 2.310 70 R HA 0.065 4.515 4.340 0.184 0.000 0.324 70 R C -1.606 174.870 176.300 0.294 0.000 0.955 70 R CA -0.745 55.516 56.100 0.269 0.000 0.830 70 R CB 1.170 31.686 30.300 0.360 0.000 1.154 70 R HN -0.224 8.226 8.270 0.301 0.000 0.458 71 S N 3.594 119.416 115.700 0.203 0.000 2.503 71 S HA 0.007 4.542 4.470 0.108 0.000 0.215 71 S C -0.548 174.223 174.600 0.285 0.000 1.003 71 S CA 1.418 59.715 58.200 0.162 0.000 0.910 71 S CB 1.329 64.568 63.200 0.065 0.000 0.790 71 S HN 0.667 9.066 8.310 0.148 0.000 0.514 72 R N -1.363 119.310 120.500 0.289 0.000 2.854 72 R HA 0.593 5.329 4.340 0.364 -0.177 0.271 72 R C -0.698 175.590 176.300 -0.020 0.000 0.994 72 R CA -1.315 54.911 56.100 0.211 0.000 0.945 72 R CB 3.347 33.677 30.300 0.049 0.000 1.194 72 R HN -1.026 7.375 8.270 0.218 0.000 0.476 73 L N 0.481 121.509 121.223 -0.326 0.000 2.049 73 L HA -0.055 3.687 4.340 -0.997 0.000 0.203 73 L C 0.713 177.460 176.870 -0.205 0.000 1.074 73 L CA 1.893 56.356 54.840 -0.628 0.000 0.749 73 L CB 1.227 42.832 42.059 -0.756 0.000 0.907 73 L HN 0.523 8.557 8.230 -0.141 0.111 0.439 74 N N -2.659 115.956 118.700 -0.142 0.000 2.282 74 N HA 0.078 4.737 4.740 -0.134 0.000 0.240 74 N C -1.056 174.381 175.510 -0.123 0.000 1.182 74 N CA 0.335 53.319 53.050 -0.110 0.000 0.874 74 N CB 1.184 39.637 38.487 -0.058 0.000 1.126 74 N HN -0.094 8.520 8.380 -0.137 -0.316 0.516 75 S N 0.234 115.861 115.700 -0.121 0.000 2.548 75 S HA 0.273 4.682 4.470 -0.101 0.000 0.286 75 S C -1.407 173.130 174.600 -0.106 0.000 1.098 75 S CA -1.339 56.802 58.200 -0.097 0.000 0.930 75 S CB 2.419 65.581 63.200 -0.064 0.000 1.070 75 S HN -0.406 7.775 8.310 -0.121 0.056 0.480 76 N N 2.583 121.224 118.700 -0.098 0.000 2.444 76 N HA -0.037 4.781 4.740 -0.125 -0.154 0.255 76 N C -0.325 175.165 175.510 -0.033 0.000 1.255 76 N CA 0.391 53.391 53.050 -0.084 0.000 0.933 76 N CB 0.860 39.307 38.487 -0.066 0.000 1.143 76 N HN 0.166 8.493 8.380 -0.087 0.000 0.453 77 T N 1.339 115.888 114.554 -0.009 0.000 2.887 77 T HA 0.192 4.548 4.350 0.010 0.000 0.288 77 T C -0.991 173.723 174.700 0.023 0.000 1.021 77 T CA -0.574 61.537 62.100 0.019 0.000 1.000 77 T CB 1.966 70.865 68.868 0.052 0.000 1.034 77 T HN 0.017 8.572 8.240 -0.013 -0.323 0.467 78 Q N 4.393 124.204 119.800 0.019 0.000 2.288 78 Q HA -0.079 4.272 4.340 0.018 0.000 0.254 78 Q C 0.676 176.695 176.000 0.033 0.000 0.932 78 Q CA 0.886 56.701 55.803 0.020 0.000 0.902 78 Q CB 0.248 28.993 28.738 0.012 0.000 1.203 78 Q HN 0.308 8.587 8.270 0.016 0.000 0.415 79 G N 3.994 112.816 108.800 0.037 0.000 2.213 79 G HA2 -0.240 3.744 3.960 0.040 0.000 0.226 79 G HA3 -0.240 3.748 3.960 0.048 0.000 0.226 79 G C -0.348 174.595 174.900 0.073 0.000 0.992 79 G CA -0.557 44.572 45.100 0.048 0.000 0.632 79 G HN 0.352 8.661 8.290 0.031 0.000 0.511 80 E N 0.845 121.099 120.200 0.089 0.000 2.422 80 E HA -0.066 4.549 4.350 0.168 -0.164 0.260 80 E C -0.652 176.022 176.600 0.123 0.000 1.108 80 E CA -0.038 56.451 56.400 0.147 0.000 0.943 80 E CB 0.750 30.563 29.700 0.188 0.000 0.961 80 E HN -0.635 7.702 8.360 0.073 0.066 0.443 81 M N 0.448 120.133 119.600 0.141 0.000 2.464 81 M HA 0.308 4.705 4.480 -0.139 0.000 0.308 81 M C -1.656 174.515 176.300 -0.214 0.000 1.127 81 M CA -0.686 54.563 55.300 -0.084 0.000 0.913 81 M CB 4.741 37.310 32.600 -0.052 0.000 1.689 81 M HN 0.363 8.793 8.290 0.233 0.000 0.445 82 K N 2.704 122.767 120.400 -0.561 0.000 2.221 82 K HA 0.713 4.642 4.320 -0.920 -0.161 0.258 82 K C -1.355 174.713 176.600 -0.887 0.000 0.944 82 K CA -0.968 54.858 56.287 -0.767 0.000 0.823 82 K CB 2.683 34.808 32.500 -0.624 0.000 1.113 82 K HN 0.220 8.137 8.250 -0.554 0.000 0.431 83 F N 2.595 122.370 119.950 -0.292 0.000 2.629 83 F HA 0.405 4.940 4.527 -0.141 -0.092 0.316 83 F C -1.260 174.453 175.800 -0.145 0.000 1.081 83 F CA -1.167 56.733 58.000 -0.167 0.000 0.954 83 F CB 4.662 43.587 39.000 -0.125 0.000 1.337 83 F HN 0.716 8.854 8.300 -0.270 0.000 0.474 84 E N -1.424 118.841 120.200 0.109 0.000 2.222 84 E HA 0.447 4.823 4.350 0.043 0.000 0.267 84 E C -0.953 175.668 176.600 0.035 0.000 0.963 84 E CA -1.819 54.608 56.400 0.045 0.000 0.837 84 E CB 3.679 33.386 29.700 0.012 0.000 1.183 84 E HN 0.793 9.142 8.360 0.159 0.107 0.403 85 V N 2.357 122.281 119.914 0.017 0.000 2.353 85 V HA 0.007 4.213 4.120 -0.095 -0.143 0.264 85 V C -0.690 175.364 176.094 -0.066 0.000 1.049 85 V CA 0.444 62.715 62.300 -0.048 0.000 0.896 85 V CB -0.885 30.921 31.823 -0.028 0.000 1.025 85 V HN 0.686 8.905 8.190 0.047 0.000 0.475 86 E N 7.691 127.818 120.200 -0.121 0.000 2.076 86 E HA -0.296 4.010 4.350 -0.074 0.000 0.190 86 E C -1.192 175.337 176.600 -0.119 0.000 0.979 86 E CA 2.420 58.750 56.400 -0.118 0.000 0.807 86 E CB 1.323 30.924 29.700 -0.165 0.000 0.761 86 E HN 0.613 8.775 8.360 -0.165 0.100 0.454 87 N N -4.204 114.394 118.700 -0.170 0.000 2.242 87 N HA 0.182 4.880 4.740 -0.070 0.000 0.292 87 N C -2.307 173.128 175.510 -0.125 0.000 1.125 87 N CA -0.608 52.373 53.050 -0.114 0.000 0.783 87 N CB 3.509 41.948 38.487 -0.080 0.000 1.558 87 N HN -0.689 7.550 8.380 -0.235 0.000 0.472 88 L N 2.671 123.836 121.223 -0.097 0.000 2.406 88 L HA 0.595 4.931 4.340 -0.238 -0.139 0.270 88 L C -1.297 175.511 176.870 -0.102 0.000 0.982 88 L CA -0.520 54.214 54.840 -0.177 0.000 0.843 88 L CB 2.331 44.260 42.059 -0.217 0.000 1.225 88 L HN 0.351 8.547 8.230 -0.058 0.000 0.412 89 I N 8.169 128.687 120.570 -0.086 0.000 2.355 89 I HA 0.280 4.439 4.170 -0.018 0.000 0.288 89 I C -1.454 174.679 176.117 0.027 0.000 0.999 89 I CA -0.859 60.417 61.300 -0.040 0.000 1.163 89 I CB 1.270 39.187 38.000 -0.138 0.000 1.316 89 I HN 1.047 9.089 8.210 -0.105 0.105 0.454 90 L N 5.573 126.829 121.223 0.055 0.000 2.358 90 L HA 0.392 4.764 4.340 0.054 0.000 0.268 90 L C -1.086 175.893 176.870 0.182 0.000 1.032 90 L CA -1.792 53.093 54.840 0.076 0.000 0.805 90 L CB 2.062 44.136 42.059 0.025 0.000 1.253 90 L HN 0.452 8.707 8.230 0.042 0.000 0.452 91 H N 1.724 120.798 119.070 0.006 0.000 2.548 91 H HA 0.049 4.646 4.556 0.068 0.000 0.331 91 H C -0.619 174.754 175.328 0.076 0.000 1.093 91 H CA 0.182 56.191 56.048 -0.065 0.000 1.367 91 H CB 2.123 31.654 29.762 -0.386 0.000 1.455 91 H HN -0.025 8.301 8.280 0.077 0.000 0.519 92 K N 6.646 127.058 120.400 0.020 0.000 2.258 92 K HA 0.047 4.463 4.320 0.159 0.000 0.284 92 K C -1.383 175.360 176.600 0.238 0.000 1.051 92 K CA 0.078 56.440 56.287 0.124 0.000 0.923 92 K CB -0.657 31.899 32.500 0.093 0.000 1.046 92 K HN 0.371 8.473 8.250 -0.247 0.000 0.474 93 D N -4.036 116.508 120.400 0.240 0.000 2.865 93 D HA -0.321 4.398 4.640 0.131 0.000 0.196 93 D C -1.912 174.507 176.300 0.198 0.000 0.948 93 D CA 0.833 54.960 54.000 0.210 0.000 0.990 93 D CB -2.474 38.474 40.800 0.246 0.000 1.039 93 D HN 0.361 8.851 8.370 0.200 0.000 0.456 94 Y N 1.038 121.422 120.300 0.140 0.000 2.526 94 Y HA -0.205 4.602 4.550 0.063 -0.220 0.330 94 Y C -0.612 175.348 175.900 0.101 0.000 1.156 94 Y CA 1.149 59.306 58.100 0.095 0.000 1.419 94 Y CB 0.479 38.991 38.460 0.087 0.000 1.250 94 Y HN -0.751 7.687 8.280 0.352 0.053 0.540 95 S N 7.468 122.714 115.700 -0.757 0.000 2.569 95 S HA 0.301 4.467 4.470 -0.506 0.000 0.280 95 S C -1.848 172.364 174.600 -0.647 0.000 1.111 95 S CA -0.980 56.883 58.200 -0.561 0.000 0.887 95 S CB 3.984 67.062 63.200 -0.203 0.000 1.095 95 S HN 0.198 8.144 8.310 -0.606 0.000 0.476 96 A N 1.910 124.479 122.820 -0.419 0.000 2.430 96 A HA 0.718 4.954 4.320 -0.453 -0.188 0.300 96 A C 0.685 178.114 177.584 -0.258 0.000 1.124 96 A CA -1.537 50.297 52.037 -0.338 0.000 0.766 96 A CB 1.740 20.666 19.000 -0.123 0.000 1.328 96 A HN 0.417 8.384 8.150 -0.304 0.000 0.424 97 L N 0.616 121.565 121.223 -0.456 0.000 2.403 97 L HA -0.482 3.612 4.340 -0.409 0.000 0.237 97 L C 0.149 176.252 176.870 -1.278 0.000 1.138 97 L CA 2.030 56.492 54.840 -0.631 0.000 0.841 97 L CB -0.163 41.563 42.059 -0.555 0.000 0.979 97 L HN 0.420 8.343 8.230 -0.512 0.000 0.435 98 A N -4.844 116.999 122.820 -1.629 0.000 2.287 98 A HA 0.040 2.066 4.320 -3.824 0.000 0.273 98 A C -1.490 175.229 177.584 -1.443 0.000 1.091 98 A CA -0.650 50.043 52.037 -2.240 0.000 0.817 98 A CB 1.603 19.611 19.000 -1.653 0.000 1.069 98 A HN -0.385 7.073 8.150 -1.154 0.000 0.492 99 H N -1.385 117.116 119.070 -0.948 0.000 2.529 99 H HA 0.723 5.207 4.556 -0.422 -0.182 0.348 99 H C -0.639 174.446 175.328 -0.405 0.000 1.079 99 H CA -1.329 54.484 56.048 -0.392 0.000 1.198 99 H CB 2.549 32.348 29.762 0.062 0.000 1.521 99 H HN 0.206 7.796 8.280 -1.149 0.000 0.514 100 H N 2.575 121.598 119.070 -0.078 0.000 2.492 100 H HA 0.277 4.872 4.556 0.064 0.000 0.345 100 H C 0.000 175.342 175.328 0.023 0.000 1.136 100 H CA -0.941 55.096 56.048 -0.019 0.000 1.202 100 H CB 3.215 32.923 29.762 -0.091 0.000 1.524 100 H HN 0.839 8.882 8.280 -0.210 0.112 0.506 101 N N 0.156 118.927 118.700 0.118 0.000 2.714 101 N HA -0.341 4.249 4.740 -0.250 0.000 0.253 101 N C -1.448 173.939 175.510 -0.206 0.000 1.024 101 N CA 0.971 53.904 53.050 -0.195 0.000 0.726 101 N CB -0.987 37.304 38.487 -0.327 0.000 0.908 101 N HN 0.695 9.197 8.380 0.203 0.000 0.542 102 D N -1.178 119.159 120.400 -0.104 0.000 2.619 102 D HA 0.066 4.736 4.640 0.051 0.000 0.224 102 D C -1.913 174.229 176.300 -0.263 0.000 1.133 102 D CA -0.275 53.703 54.000 -0.038 0.000 1.017 102 D CB -0.694 40.203 40.800 0.162 0.000 1.077 102 D HN 0.064 8.388 8.370 -0.076 0.000 0.503 103 I N 1.035 121.375 120.570 -0.383 0.000 2.802 103 I HA 0.765 4.975 4.170 -0.226 -0.176 0.298 103 I C -2.938 173.076 176.117 -0.171 0.000 1.176 103 I CA -2.131 58.960 61.300 -0.349 0.000 1.025 103 I CB 4.074 41.671 38.000 -0.671 0.000 1.243 103 I HN -0.521 7.422 8.210 -0.381 0.038 0.424 104 A N 5.780 128.606 122.820 0.010 0.000 2.587 104 A HA 0.931 5.517 4.320 0.251 -0.115 0.293 104 A C -2.461 175.188 177.584 0.108 0.000 1.087 104 A CA -1.548 50.547 52.037 0.098 0.000 0.692 104 A CB 4.056 23.029 19.000 -0.044 0.000 1.291 104 A HN 0.503 8.579 8.150 0.005 0.077 0.407 105 L N -1.197 120.064 121.223 0.063 0.000 2.381 105 L HA 0.860 5.422 4.340 0.088 -0.169 0.268 105 L C -1.639 175.251 176.870 0.033 0.000 0.997 105 L CA -1.347 53.537 54.840 0.075 0.000 0.818 105 L CB 4.321 46.384 42.059 0.007 0.000 1.310 105 L HN 0.677 8.823 8.230 0.046 0.111 0.416 106 L N 1.608 122.861 121.223 0.049 0.000 2.376 106 L HA 0.634 5.047 4.340 -0.181 -0.182 0.275 106 L C -1.686 175.066 176.870 -0.197 0.000 0.987 106 L CA -0.782 53.977 54.840 -0.135 0.000 0.828 106 L CB 2.905 44.828 42.059 -0.227 0.000 1.249 106 L HN 0.993 9.304 8.230 0.135 0.000 0.409 107 K N 5.081 125.215 120.400 -0.443 0.000 2.201 107 K HA 0.812 4.662 4.320 -1.127 -0.206 0.278 107 K C -0.850 175.457 176.600 -0.490 0.000 1.027 107 K CA -1.302 54.447 56.287 -0.897 0.000 0.909 107 K CB 2.221 34.013 32.500 -1.181 0.000 1.062 107 K HN 0.625 8.566 8.250 -0.333 0.110 0.465 108 I N 1.259 121.547 120.570 -0.469 0.000 2.525 108 I HA 1.029 5.287 4.170 -0.188 -0.201 0.301 108 I C -1.212 174.789 176.117 -0.193 0.000 0.992 108 I CA -2.459 58.656 61.300 -0.308 0.000 1.162 108 I CB 2.557 40.241 38.000 -0.526 0.000 1.332 108 I HN 0.521 8.387 8.210 -0.574 0.000 0.458 109 R N 3.332 123.848 120.500 0.025 0.000 2.725 109 R HA 0.474 4.857 4.340 0.071 0.000 0.277 109 R C -0.399 176.044 176.300 0.238 0.000 0.987 109 R CA -2.191 53.965 56.100 0.092 0.000 0.901 109 R CB 4.301 34.596 30.300 -0.008 0.000 1.207 109 R HN 0.555 8.869 8.270 0.073 0.000 0.463 110 R N 1.370 121.898 120.500 0.048 0.000 2.212 110 R HA -0.339 4.024 4.340 0.038 0.000 0.323 110 R C -0.902 175.490 176.300 0.152 0.000 0.986 110 R CA 1.479 57.622 56.100 0.071 0.000 1.031 110 R CB -0.283 30.057 30.300 0.067 0.000 0.772 110 R HN 0.340 8.640 8.270 0.050 0.000 0.427 111 c N -1.148 117.512 118.600 0.099 0.000 2.534 111 c HA 0.126 4.691 4.570 -0.008 0.000 0.398 111 c C 0.535 174.713 174.090 0.148 0.000 1.609 111 c CA -1.561 54.785 56.329 0.029 0.000 1.916 111 c CB 1.230 43.686 42.510 -0.091 0.000 1.954 111 c HN 0.147 8.412 8.230 0.059 0.000 0.508 112 A N 0.233 123.024 122.820 -0.048 0.000 2.507 112 A HA -0.150 4.446 4.320 0.460 0.000 0.235 112 A C -0.857 176.802 177.584 0.124 0.000 1.070 112 A CA 0.875 52.989 52.037 0.129 0.000 0.768 112 A CB 0.660 19.648 19.000 -0.020 0.000 1.011 112 A HN 0.173 8.154 8.150 -0.281 0.000 0.502 113 Q N -0.035 119.857 119.800 0.153 0.000 2.342 113 Q HA 0.390 4.779 4.340 0.082 0.000 0.267 113 Q C -2.477 173.579 176.000 0.094 0.000 1.038 113 Q CA -3.238 52.626 55.803 0.101 0.000 0.832 113 Q CB 1.241 30.034 28.738 0.091 0.000 1.323 113 Q HN -0.171 8.224 8.270 0.209 0.000 0.448 114 P HA 0.078 4.690 4.420 0.085 -0.141 0.276 114 P C -1.243 176.096 177.300 0.066 0.000 1.235 114 P CA -0.458 62.687 63.100 0.074 0.000 0.772 114 P CB 0.812 32.551 31.700 0.065 0.000 0.871 115 S N 4.697 120.436 115.700 0.065 0.000 2.880 115 S HA 0.449 4.947 4.470 0.046 0.000 0.308 115 S C -0.559 174.066 174.600 0.042 0.000 1.195 115 S CA -1.195 57.036 58.200 0.051 0.000 0.866 115 S CB 2.414 65.647 63.200 0.056 0.000 1.254 115 S HN 0.181 8.534 8.310 0.071 0.000 0.571 116 R N -2.574 117.945 120.500 0.030 0.000 2.299 116 R HA 0.089 4.440 4.340 0.018 0.000 0.197 116 R C 0.133 176.434 176.300 0.002 0.000 0.971 116 R CA 1.593 57.703 56.100 0.016 0.000 1.030 116 R CB 0.119 30.425 30.300 0.011 0.000 0.932 116 R HN 0.339 8.627 8.270 0.031 0.000 0.477 117 T N -4.031 110.533 114.554 0.016 0.000 3.040 117 T HA 0.213 4.547 4.350 -0.026 0.000 0.266 117 T C -0.841 173.875 174.700 0.027 0.000 1.005 117 T CA 0.111 62.217 62.100 0.009 0.000 0.906 117 T CB 1.528 70.415 68.868 0.032 0.000 1.082 117 T HN -0.297 7.908 8.240 0.033 0.055 0.531 118 I N 2.105 122.706 120.570 0.052 0.000 2.478 118 I HA 0.587 5.024 4.170 0.085 -0.216 0.287 118 I C -2.637 173.539 176.117 0.098 0.000 1.042 118 I CA -0.923 60.429 61.300 0.086 0.000 1.067 118 I CB 2.653 40.724 38.000 0.118 0.000 1.233 118 I HN -0.297 7.829 8.210 0.051 0.115 0.431 119 Q N 7.431 127.314 119.800 0.139 0.000 2.462 119 Q HA 0.406 4.847 4.340 0.168 0.000 0.285 119 Q C -2.443 173.754 176.000 0.329 0.000 1.035 119 Q CA -1.723 54.211 55.803 0.218 0.000 0.799 119 Q CB 4.892 33.784 28.738 0.257 0.000 1.452 119 Q HN 0.729 8.976 8.270 0.140 0.107 0.404 120 T N -0.595 114.121 114.554 0.270 0.000 2.918 120 T HA 0.379 5.001 4.350 0.234 -0.132 0.283 120 T C -0.720 174.081 174.700 0.167 0.000 1.001 120 T CA -1.914 60.313 62.100 0.212 0.000 1.041 120 T CB 1.288 70.220 68.868 0.105 0.000 1.028 120 T HN 0.047 8.414 8.240 0.212 0.000 0.511 121 I N 0.477 121.029 120.570 -0.030 0.000 2.822 121 I HA 0.276 4.056 4.170 -0.650 0.000 0.312 121 I C -1.445 174.530 176.117 -0.238 0.000 1.011 121 I CA -2.070 58.962 61.300 -0.447 0.000 1.105 121 I CB 3.553 41.081 38.000 -0.787 0.000 1.291 121 I HN 0.128 8.351 8.210 0.021 0.000 0.474 122 C N 5.315 124.456 119.300 -0.265 0.000 2.382 122 C HA 0.238 4.639 4.460 -0.099 0.000 0.363 122 C C -0.956 173.960 174.990 -0.124 0.000 1.213 122 C CA 0.008 58.939 59.018 -0.145 0.000 2.363 122 C CB 0.872 28.538 27.740 -0.124 0.000 2.397 122 C HN -0.145 7.858 8.230 -0.380 0.000 0.573 123 L N 1.360 122.537 121.223 -0.076 0.000 2.344 123 L HA 0.367 4.673 4.340 -0.056 0.000 0.272 123 L C -0.934 175.909 176.870 -0.045 0.000 1.035 123 L CA -2.980 51.828 54.840 -0.053 0.000 0.807 123 L CB -0.105 41.932 42.059 -0.035 0.000 1.237 123 L HN 0.202 8.394 8.230 -0.064 0.000 0.442 124 P HA 0.091 4.495 4.420 -0.026 0.000 0.279 124 P C -1.461 175.825 177.300 -0.022 0.000 1.282 124 P CA -0.974 62.113 63.100 -0.022 0.000 0.788 124 P CB 1.100 32.797 31.700 -0.005 0.000 1.139 125 S N -1.596 114.095 115.700 -0.014 0.000 2.687 125 S HA 0.122 4.579 4.470 -0.022 0.000 0.283 125 S C 0.443 175.026 174.600 -0.028 0.000 1.170 125 S CA -0.506 57.685 58.200 -0.015 0.000 1.008 125 S CB 1.658 64.860 63.200 0.002 0.000 1.026 125 S HN 0.143 8.450 8.310 -0.005 0.000 0.541 126 M N 1.411 120.989 119.600 -0.037 0.000 2.301 126 M HA -0.423 3.875 4.480 -0.302 0.000 0.404 126 M C 0.311 176.621 176.300 0.016 0.000 1.497 126 M CA 1.331 56.581 55.300 -0.084 0.000 0.867 126 M CB -1.679 30.976 32.600 0.091 0.000 2.037 126 M HN 0.371 8.650 8.290 -0.018 0.000 0.496 127 Y N -1.529 118.719 120.300 -0.086 0.000 3.220 127 Y HA -0.509 4.049 4.550 -0.086 -0.060 0.214 127 Y C -0.942 174.976 175.900 0.031 0.000 1.166 127 Y CA 1.107 59.141 58.100 -0.110 0.000 1.264 127 Y CB -3.244 35.048 38.460 -0.279 0.000 1.324 127 Y HN 0.386 8.119 8.280 -0.912 0.000 0.586 128 N N 0.002 118.771 118.700 0.116 0.000 2.424 128 N HA 0.122 4.931 4.740 0.115 0.000 0.271 128 N C -2.070 173.496 175.510 0.093 0.000 0.985 128 N CA -0.927 52.182 53.050 0.099 0.000 0.921 128 N CB 2.103 40.623 38.487 0.056 0.000 1.149 128 N HN -0.607 7.775 8.380 0.051 0.029 0.492 129 D N 5.178 125.640 120.400 0.103 0.000 2.477 129 D HA 0.460 5.135 4.640 0.060 0.000 0.234 129 D C -2.414 173.917 176.300 0.052 0.000 1.048 129 D CA -2.068 51.981 54.000 0.082 0.000 0.959 129 D CB 2.412 43.283 40.800 0.118 0.000 1.408 129 D HN -0.062 8.376 8.370 0.112 0.000 0.496 130 P HA 0.005 4.422 4.420 -0.004 0.000 0.274 130 P C -1.062 176.247 177.300 0.015 0.000 1.260 130 P CA -0.135 62.965 63.100 -0.001 0.000 0.793 130 P CB 1.055 32.738 31.700 -0.030 0.000 1.048 131 Q N -2.135 117.651 119.800 -0.022 0.000 2.260 131 Q HA 0.231 4.620 4.340 0.082 0.000 0.238 131 Q C 0.852 176.811 176.000 -0.068 0.000 0.948 131 Q CA -1.203 54.584 55.803 -0.026 0.000 0.895 131 Q CB 1.508 30.163 28.738 -0.138 0.000 1.218 131 Q HN 0.358 8.598 8.270 -0.051 0.000 0.470 132 F N -0.727 119.211 119.950 -0.020 0.000 2.595 132 F HA -0.498 4.051 4.527 -0.058 -0.057 0.359 132 F C 0.357 176.132 175.800 -0.042 0.000 1.147 132 F CA 0.510 58.485 58.000 -0.043 0.000 1.341 132 F CB 0.075 39.049 39.000 -0.044 0.000 1.104 132 F HN 0.055 8.602 8.300 0.412 0.000 0.603 133 G N 3.241 111.983 108.800 -0.098 0.000 2.349 133 G HA2 -0.369 3.545 3.960 -0.077 0.000 0.213 133 G HA3 -0.369 3.396 3.960 -0.325 0.000 0.213 133 G C -0.748 174.071 174.900 -0.134 0.000 1.044 133 G CA -0.015 44.981 45.100 -0.173 0.000 0.633 133 G HN 0.849 9.045 8.290 0.037 0.116 0.506 134 T N 5.461 119.934 114.554 -0.135 0.000 2.939 134 T HA -0.294 3.995 4.350 -0.103 0.000 0.312 134 T C -0.837 173.812 174.700 -0.087 0.000 1.064 134 T CA 2.349 64.388 62.100 -0.101 0.000 1.136 134 T CB 0.325 69.141 68.868 -0.087 0.000 1.035 134 T HN -0.449 7.617 8.240 -0.157 0.080 0.538 135 S N 4.379 120.032 115.700 -0.078 0.000 2.480 135 S HA 0.668 5.272 4.470 -0.082 -0.183 0.286 135 S C -0.470 174.088 174.600 -0.070 0.000 1.180 135 S CA -0.424 57.732 58.200 -0.074 0.000 1.075 135 S CB 1.038 64.200 63.200 -0.063 0.000 0.996 135 S HN 0.100 8.366 8.310 -0.073 0.000 0.487 136 c N 3.805 122.357 118.600 -0.080 0.000 2.913 136 c HA 0.581 5.182 4.570 -0.058 -0.066 0.322 136 c C -1.519 172.534 174.090 -0.062 0.000 1.292 136 c CA -1.551 54.732 56.329 -0.077 0.000 1.649 136 c CB 4.541 46.978 42.510 -0.120 0.000 2.139 136 c HN 1.095 9.271 8.230 -0.089 0.000 0.475 137 E N -1.021 119.157 120.200 -0.036 0.000 2.256 137 E HA 1.052 5.544 4.350 -0.031 -0.160 0.267 137 E C -1.008 175.595 176.600 0.006 0.000 0.892 137 E CA -2.219 54.172 56.400 -0.015 0.000 0.775 137 E CB 2.891 32.596 29.700 0.008 0.000 1.207 137 E HN 0.701 9.044 8.360 -0.028 0.000 0.420 138 I N -4.323 116.251 120.570 0.007 0.000 2.693 138 I HA 1.124 5.584 4.170 0.083 -0.240 0.303 138 I C -1.133 174.978 176.117 -0.011 0.000 1.025 138 I CA -2.638 58.691 61.300 0.048 0.000 1.086 138 I CB 3.279 41.339 38.000 0.099 0.000 1.268 138 I HN 0.469 8.672 8.210 -0.012 0.000 0.440 139 T N 1.442 115.982 114.554 -0.024 0.000 2.883 139 T HA 0.716 5.073 4.350 -0.234 -0.148 0.301 139 T C -1.356 173.157 174.700 -0.312 0.000 1.158 139 T CA -1.930 60.036 62.100 -0.223 0.000 1.007 139 T CB 2.396 71.097 68.868 -0.278 0.000 1.186 139 T HN -0.255 8.023 8.240 0.063 0.000 0.499 140 G N 2.837 111.309 108.800 -0.546 0.000 2.313 140 G HA2 0.244 3.790 3.960 -0.691 0.000 0.296 140 G HA3 0.244 4.293 3.960 -0.096 -0.146 0.296 140 G C -2.472 172.155 174.900 -0.454 0.000 1.356 140 G CA 0.670 45.507 45.100 -0.437 0.000 0.833 140 G HN 0.087 8.027 8.290 -0.584 0.000 0.552 141 F N -0.237 119.602 119.950 -0.186 0.000 2.668 141 F HA 0.349 4.751 4.527 -0.210 0.000 0.301 141 F C 0.621 176.195 175.800 -0.377 0.000 1.106 141 F CA -1.395 56.421 58.000 -0.306 0.000 1.289 141 F CB 0.989 39.625 39.000 -0.607 0.000 1.006 141 F HN 0.489 8.848 8.300 0.100 0.000 0.535 142 G N -0.008 108.723 108.800 -0.115 0.000 2.651 142 G HA2 0.048 3.684 3.960 -0.543 0.000 0.260 142 G HA3 0.048 4.056 3.960 -0.049 -0.077 0.260 142 G C -1.000 173.941 174.900 0.068 0.000 1.216 142 G CA -0.533 44.478 45.100 -0.149 0.000 0.913 142 G HN -0.608 7.813 8.290 -0.055 -0.164 0.535 143 K N -0.811 119.724 120.400 0.225 0.000 2.542 143 K HA -0.339 4.143 4.320 0.270 0.000 0.276 143 K C -0.538 176.127 176.600 0.108 0.000 0.963 143 K CA 1.931 58.349 56.287 0.219 0.000 0.975 143 K CB 0.270 32.892 32.500 0.204 0.000 0.901 143 K HN -0.002 8.416 8.250 0.280 0.000 0.506 144 E N -1.561 118.692 120.200 0.088 0.000 2.460 144 E HA 0.213 4.759 4.350 0.011 -0.189 0.200 144 E C -0.511 176.111 176.600 0.037 0.000 1.011 144 E CA 0.638 57.060 56.400 0.038 0.000 0.912 144 E CB 1.532 31.252 29.700 0.034 0.000 0.953 144 E HN -0.190 8.377 8.360 0.105 -0.144 0.494 145 A N -2.465 120.388 122.820 0.055 0.000 2.459 145 A HA 0.451 4.798 4.320 0.045 0.000 0.296 145 A C -0.838 176.786 177.584 0.067 0.000 1.039 145 A CA -0.794 51.274 52.037 0.052 0.000 0.698 145 A CB 2.075 21.103 19.000 0.047 0.000 1.261 145 A HN -0.746 7.487 8.150 0.071 -0.040 0.405 146 S N 2.547 118.287 115.700 0.066 0.000 2.440 146 S HA -0.319 4.204 4.470 0.088 0.000 0.238 146 S C 1.258 175.905 174.600 0.078 0.000 1.010 146 S CA 3.062 61.308 58.200 0.075 0.000 0.972 146 S CB -0.179 63.059 63.200 0.064 0.000 0.774 146 S HN 0.693 9.037 8.310 0.057 0.000 0.501 147 T N -3.636 110.962 114.554 0.073 0.000 3.088 147 T HA -0.068 4.331 4.350 0.082 0.000 0.259 147 T C 0.496 175.264 174.700 0.115 0.000 1.122 147 T CA 0.223 62.374 62.100 0.084 0.000 1.095 147 T CB -0.243 68.667 68.868 0.070 0.000 0.930 147 T HN -0.404 7.838 8.240 0.064 0.037 0.508 148 D N 2.986 123.442 120.400 0.093 0.000 2.361 148 D HA -0.078 4.613 4.640 0.085 0.000 0.239 148 D C -0.283 176.077 176.300 0.099 0.000 1.200 148 D CA 0.321 54.359 54.000 0.063 0.000 0.915 148 D CB 0.962 41.762 40.800 -0.001 0.000 1.170 148 D HN -0.257 7.999 8.370 0.079 0.161 0.444 149 Y N -4.559 115.732 120.300 -0.015 0.000 2.675 149 Y HA 0.223 4.735 4.550 -0.062 0.000 0.248 149 Y C -1.751 174.068 175.900 -0.135 0.000 1.161 149 Y CA -0.880 57.183 58.100 -0.061 0.000 1.203 149 Y CB 0.394 38.828 38.460 -0.043 0.000 1.262 149 Y HN 0.040 8.082 8.280 -0.398 0.000 0.544 150 L N -1.164 119.799 121.223 -0.433 0.000 2.303 150 L HA 0.221 4.315 4.340 -0.410 0.000 0.256 150 L C -1.005 175.749 176.870 -0.194 0.000 1.034 150 L CA -1.412 53.193 54.840 -0.392 0.000 0.832 150 L CB 3.405 45.246 42.059 -0.364 0.000 1.403 150 L HN -0.828 7.105 8.230 -0.386 0.065 0.419 151 Y N -0.956 119.317 120.300 -0.045 0.000 2.457 151 Y HA 0.384 4.946 4.550 0.020 0.000 0.333 151 Y C -1.662 174.237 175.900 -0.001 0.000 1.119 151 Y CA -3.682 54.416 58.100 -0.005 0.000 1.143 151 Y CB 0.164 38.613 38.460 -0.018 0.000 1.230 151 Y HN 0.025 8.238 8.280 -0.113 0.000 0.469 152 P HA 0.027 4.538 4.420 0.151 0.000 0.270 152 P C -1.412 175.993 177.300 0.175 0.000 1.223 152 P CA -0.504 62.723 63.100 0.210 0.000 0.785 152 P CB 1.264 33.153 31.700 0.315 0.000 0.923 153 E N -1.092 119.169 120.200 0.102 0.000 2.400 153 E HA 0.013 4.350 4.350 -0.023 0.000 0.195 153 E C -0.766 175.920 176.600 0.144 0.000 1.012 153 E CA 1.439 57.864 56.400 0.041 0.000 0.875 153 E CB 0.924 30.608 29.700 -0.027 0.000 0.859 153 E HN 0.483 8.887 8.360 0.073 0.000 0.498 154 Q N -1.080 118.818 119.800 0.162 0.000 2.274 154 Q HA 0.328 4.916 4.340 0.190 -0.134 0.260 154 Q C -0.296 175.868 176.000 0.274 0.000 0.974 154 Q CA -0.990 54.910 55.803 0.162 0.000 0.876 154 Q CB 1.996 30.631 28.738 -0.172 0.000 1.297 154 Q HN -0.679 7.634 8.270 0.134 0.037 0.446 155 L N 5.663 126.910 121.223 0.040 0.000 2.461 155 L HA 0.014 3.769 4.340 -0.976 0.000 0.272 155 L C -1.205 175.563 176.870 -0.171 0.000 1.197 155 L CA 0.676 55.231 54.840 -0.475 0.000 0.836 155 L CB 1.072 42.777 42.059 -0.590 0.000 1.105 155 L HN 0.072 8.352 8.230 0.084 0.000 0.477 156 K N 3.102 123.313 120.400 -0.315 0.000 2.443 156 K HA 0.836 5.199 4.320 -0.184 -0.154 0.251 156 K C -1.730 174.700 176.600 -0.283 0.000 0.972 156 K CA -1.676 54.462 56.287 -0.248 0.000 0.833 156 K CB 4.078 36.411 32.500 -0.278 0.000 1.317 156 K HN -0.082 7.858 8.250 -0.516 0.000 0.441 157 M N 0.350 119.818 119.600 -0.219 0.000 2.569 157 M HA 0.900 5.459 4.480 -0.171 -0.181 0.279 157 M C -2.346 173.874 176.300 -0.132 0.000 1.253 157 M CA -0.689 54.510 55.300 -0.168 0.000 0.867 157 M CB 4.989 37.502 32.600 -0.145 0.000 1.727 157 M HN 0.585 8.744 8.290 -0.220 0.000 0.467 158 T N 1.640 116.138 114.554 -0.093 0.000 2.802 158 T HA 0.479 4.969 4.350 -0.084 -0.191 0.311 158 T C -2.230 172.437 174.700 -0.055 0.000 1.405 158 T CA -0.925 61.129 62.100 -0.077 0.000 1.016 158 T CB 3.020 71.844 68.868 -0.075 0.000 1.352 158 T HN 0.106 8.300 8.240 -0.077 0.000 0.498 159 V N 3.903 123.784 119.914 -0.055 0.000 2.513 159 V HA 0.843 5.120 4.120 -0.048 -0.186 0.299 159 V C -1.425 174.632 176.094 -0.062 0.000 1.035 159 V CA -1.122 61.146 62.300 -0.053 0.000 0.889 159 V CB 2.243 34.035 31.823 -0.052 0.000 0.988 159 V HN 0.358 8.513 8.190 -0.060 0.000 0.440 160 V N 6.075 125.948 119.914 -0.068 0.000 3.130 160 V HA 0.342 4.406 4.120 -0.092 0.000 0.310 160 V C -2.453 173.582 176.094 -0.097 0.000 1.158 160 V CA -2.374 59.877 62.300 -0.082 0.000 1.029 160 V CB 5.268 37.061 31.823 -0.050 0.000 1.057 160 V HN 1.018 9.166 8.190 -0.069 0.000 0.436 161 K N 2.175 122.510 120.400 -0.108 0.000 2.208 161 K HA 0.770 5.231 4.320 -0.092 -0.196 0.247 161 K C -0.799 175.750 176.600 -0.085 0.000 0.953 161 K CA -2.263 53.966 56.287 -0.096 0.000 0.837 161 K CB 3.260 35.704 32.500 -0.092 0.000 1.131 161 K HN 0.459 8.530 8.250 -0.125 0.103 0.431 162 L N 0.933 122.115 121.223 -0.069 0.000 2.397 162 L HA 0.178 4.596 4.340 -0.078 -0.125 0.271 162 L C 0.135 177.020 176.870 0.026 0.000 1.148 162 L CA 0.064 54.877 54.840 -0.046 0.000 0.825 162 L CB 0.301 42.342 42.059 -0.031 0.000 1.117 162 L HN 0.429 8.616 8.230 -0.071 0.000 0.456 163 I N -3.332 117.242 120.570 0.008 0.000 2.957 163 I HA 0.469 4.719 4.170 0.133 0.000 0.310 163 I C -1.247 174.832 176.117 -0.064 0.000 1.063 163 I CA -1.955 59.362 61.300 0.028 0.000 1.033 163 I CB 2.864 40.864 38.000 -0.000 0.000 1.230 163 I HN 0.466 8.656 8.210 -0.034 0.000 0.447 164 S N 0.012 115.616 115.700 -0.160 0.000 2.617 164 S HA -0.064 4.303 4.470 -0.172 0.000 0.259 164 S C 1.008 175.437 174.600 -0.286 0.000 1.301 164 S CA 0.205 58.248 58.200 -0.262 0.000 0.984 164 S CB 1.243 64.148 63.200 -0.492 0.000 0.954 164 S HN 0.397 8.588 8.310 -0.198 0.000 0.572 165 H N 2.007 121.032 119.070 -0.075 0.000 2.403 165 H HA -0.100 4.453 4.556 -0.006 0.000 0.298 165 H C 2.312 177.593 175.328 -0.078 0.000 1.059 165 H CA 4.206 60.233 56.048 -0.036 0.000 1.363 165 H CB -0.143 29.616 29.762 -0.004 0.000 1.410 165 H HN 0.677 8.991 8.280 0.058 0.000 0.528 166 R N -0.452 120.035 120.500 -0.020 0.000 2.103 166 R HA -0.352 3.967 4.340 -0.035 0.000 0.242 166 R C 1.585 177.782 176.300 -0.172 0.000 1.142 166 R CA 3.125 59.176 56.100 -0.082 0.000 0.960 166 R CB -0.726 29.503 30.300 -0.118 0.000 0.858 166 R HN 0.304 8.568 8.270 -0.011 0.000 0.439 167 E N -2.036 118.015 120.200 -0.248 0.000 2.047 167 E HA -0.280 3.813 4.350 -0.428 0.000 0.191 167 E C 1.971 178.170 176.600 -0.668 0.000 0.987 167 E CA 2.651 58.797 56.400 -0.424 0.000 0.799 167 E CB -0.031 29.474 29.700 -0.326 0.000 0.752 167 E HN -0.699 7.514 8.360 -0.234 0.007 0.449 168 c N -1.303 117.098 118.600 -0.332 0.000 2.432 168 c HA -0.270 4.262 4.570 -0.064 0.000 0.280 168 c C 0.124 174.209 174.090 -0.009 0.000 1.353 168 c CA 1.705 57.968 56.329 -0.110 0.000 1.766 168 c CB -1.140 41.401 42.510 0.053 0.000 1.924 168 c HN -0.527 7.568 8.230 -0.225 0.000 0.509 169 Q N -0.327 119.456 119.800 -0.027 0.000 2.681 169 Q HA 0.213 4.807 4.340 0.153 -0.162 0.222 169 Q C 0.474 176.485 176.000 0.018 0.000 1.258 169 Q CA -1.098 54.744 55.803 0.065 0.000 1.014 169 Q CB -1.784 27.005 28.738 0.085 0.000 1.384 169 Q HN 0.012 8.214 8.270 -0.073 0.025 0.570 170 H N -0.379 118.759 119.070 0.114 0.000 2.590 170 H HA -0.445 4.124 4.556 0.021 0.000 0.337 170 H C -0.570 174.785 175.328 0.046 0.000 0.901 170 H CA 1.819 57.910 56.048 0.071 0.000 1.152 170 H CB -1.174 28.617 29.762 0.048 0.000 1.429 170 H HN 0.246 8.888 8.280 0.604 0.000 0.391 171 Y N -1.458 118.660 120.300 -0.304 0.000 2.583 171 Y HA 0.455 4.882 4.550 -0.588 -0.230 0.116 171 Y C 0.812 176.510 175.900 -0.337 0.000 0.926 171 Y CA -1.125 56.691 58.100 -0.475 0.000 1.758 171 Y CB 1.683 39.893 38.460 -0.417 0.000 1.119 171 Y HN -0.516 7.854 8.280 0.150 0.000 0.307 172 Y N -4.123 116.318 120.300 0.235 0.000 2.557 172 Y HA 0.077 4.735 4.550 0.180 0.000 0.247 172 Y C 0.056 176.059 175.900 0.173 0.000 1.164 172 Y CA -0.966 57.258 58.100 0.207 0.000 1.218 172 Y CB 0.764 39.400 38.460 0.293 0.000 1.210 172 Y HN -0.219 8.196 8.280 0.226 0.000 0.529 173 G N 0.287 109.242 108.800 0.258 0.000 2.581 173 G HA2 -0.475 3.725 3.960 0.140 0.000 0.291 173 G HA3 -0.475 3.581 3.960 0.161 0.000 0.291 173 G C -0.068 174.944 174.900 0.186 0.000 1.277 173 G CA 0.994 46.202 45.100 0.180 0.000 0.959 173 G HN -0.747 7.674 8.290 0.219 0.000 0.554 174 S N 0.339 116.124 115.700 0.141 0.000 2.840 174 S HA -0.026 4.528 4.470 0.139 0.000 0.235 174 S C -0.072 174.617 174.600 0.148 0.000 0.968 174 S CA 0.416 58.694 58.200 0.130 0.000 1.026 174 S CB -0.713 62.537 63.200 0.083 0.000 0.788 174 S HN 0.271 8.651 8.310 0.116 0.000 0.487 175 E N 0.131 120.445 120.200 0.190 0.000 2.371 175 E HA -0.111 4.294 4.350 0.092 0.000 0.194 175 E C -0.770 175.974 176.600 0.240 0.000 1.012 175 E CA 1.007 57.495 56.400 0.146 0.000 0.860 175 E CB 0.541 30.300 29.700 0.098 0.000 0.811 175 E HN -0.285 8.093 8.360 0.234 0.122 0.502 176 V N -0.088 120.019 119.914 0.322 0.000 2.439 176 V HA 0.069 4.440 4.120 0.417 0.000 0.282 176 V C -0.680 175.571 176.094 0.262 0.000 1.039 176 V CA -0.110 62.400 62.300 0.351 0.000 0.913 176 V CB 0.831 32.865 31.823 0.352 0.000 0.983 176 V HN -0.925 7.402 8.190 0.302 0.045 0.460 177 T N 2.052 116.755 114.554 0.248 0.000 2.841 177 T HA 0.393 4.821 4.350 0.131 0.000 0.276 177 T C 0.822 175.578 174.700 0.093 0.000 1.003 177 T CA -2.146 60.053 62.100 0.164 0.000 0.995 177 T CB 2.325 71.304 68.868 0.186 0.000 1.260 177 T HN -0.488 7.918 8.240 0.276 0.000 0.581 178 T N -5.267 109.279 114.554 -0.013 0.000 3.007 178 T HA -0.166 3.931 4.350 -0.421 0.000 0.270 178 T C 0.913 175.535 174.700 -0.130 0.000 1.107 178 T CA 2.606 64.608 62.100 -0.164 0.000 1.118 178 T CB -0.553 68.260 68.868 -0.090 0.000 0.889 178 T HN 0.202 8.449 8.240 0.012 0.000 0.506 179 K N 0.555 120.962 120.400 0.012 0.000 2.437 179 K HA 0.175 4.405 4.320 -0.150 0.000 0.198 179 K C -1.384 175.317 176.600 0.168 0.000 1.024 179 K CA -0.577 55.736 56.287 0.042 0.000 1.148 179 K CB -0.647 31.934 32.500 0.135 0.000 0.860 179 K HN -0.612 7.636 8.250 0.074 0.046 0.515 180 M N -2.419 117.279 119.600 0.164 0.000 2.727 180 M HA 0.745 5.503 4.480 0.210 -0.152 0.300 180 M C -1.681 174.764 176.300 0.241 0.000 1.246 180 M CA -0.948 54.480 55.300 0.215 0.000 0.835 180 M CB 5.434 38.180 32.600 0.243 0.000 1.755 180 M HN -0.494 7.781 8.290 0.137 0.097 0.473 181 L N -3.920 117.406 121.223 0.172 0.000 2.424 181 L HA 0.523 4.853 4.340 -0.016 0.000 0.258 181 L C -1.941 174.976 176.870 0.078 0.000 0.995 181 L CA -1.290 53.594 54.840 0.074 0.000 0.821 181 L CB 5.268 47.353 42.059 0.044 0.000 1.383 181 L HN 0.105 8.437 8.230 0.171 0.000 0.410 182 c N -0.875 117.719 118.600 -0.010 0.000 2.563 182 c HA 1.064 5.945 4.570 0.160 -0.215 0.314 182 c C -1.422 172.693 174.090 0.042 0.000 1.199 182 c CA -1.444 54.927 56.329 0.070 0.000 1.564 182 c CB 2.921 45.462 42.510 0.051 0.000 2.173 182 c HN 0.770 8.923 8.230 -0.129 0.000 0.485 183 A N 1.870 124.762 122.820 0.120 0.000 2.486 183 A HA 1.121 5.569 4.320 -0.034 -0.149 0.300 183 A C -2.607 175.006 177.584 0.048 0.000 1.048 183 A CA -1.135 50.910 52.037 0.014 0.000 0.696 183 A CB 3.554 22.479 19.000 -0.125 0.000 1.278 183 A HN 0.628 8.927 8.150 0.248 0.000 0.405 184 A N 0.988 123.769 122.820 -0.064 0.000 4.834 184 A HA 0.467 4.754 4.320 -0.055 0.000 0.203 184 A C -0.510 176.906 177.584 -0.279 0.000 0.816 184 A CA -0.297 51.641 52.037 -0.165 0.000 0.730 184 A CB 1.875 20.668 19.000 -0.344 0.000 1.852 184 A HN 0.700 8.792 8.150 -0.097 0.000 0.922 185 Q N -0.558 119.054 119.800 -0.313 0.000 2.136 185 Q HA -0.445 3.910 4.340 0.025 0.000 0.270 185 Q C -0.768 175.244 176.000 0.020 0.000 0.963 185 Q CA 0.872 56.619 55.803 -0.093 0.000 1.003 185 Q CB -1.487 27.238 28.738 -0.022 0.000 1.309 185 Q HN 0.534 8.645 8.270 -0.264 0.000 0.589 186 W N -8.158 113.132 121.300 -0.016 0.000 7.062 186 W HA -0.295 4.350 4.660 -0.025 0.000 0.409 186 W C -0.518 175.989 176.519 -0.021 0.000 1.561 186 W CA 0.080 57.410 57.345 -0.025 0.000 1.149 186 W CB -2.886 26.548 29.460 -0.043 0.000 2.750 186 W HN 0.030 7.654 8.180 -0.926 0.000 1.626 187 K N -3.250 117.190 120.400 0.066 0.000 2.276 187 K HA 0.156 4.518 4.320 0.069 0.000 0.198 187 K C 0.191 176.804 176.600 0.021 0.000 1.052 187 K CA 0.365 56.677 56.287 0.043 0.000 0.984 187 K CB 1.835 34.339 32.500 0.006 0.000 0.836 187 K HN -0.338 8.180 8.250 -0.022 -0.281 0.490 188 T N -3.048 111.506 114.554 0.000 0.000 2.916 188 T HA 0.352 4.842 4.350 -0.004 -0.142 0.292 188 T C -2.252 172.456 174.700 0.013 0.000 1.055 188 T CA -1.362 60.733 62.100 -0.008 0.000 1.009 188 T CB 2.475 71.320 68.868 -0.038 0.000 1.118 188 T HN -0.540 7.688 8.240 -0.020 0.000 0.497 189 D N 2.028 122.440 120.400 0.020 0.000 2.808 189 D HA 0.156 4.831 4.640 0.059 0.000 0.294 189 D C -2.682 173.643 176.300 0.043 0.000 1.278 189 D CA -0.561 53.469 54.000 0.050 0.000 0.756 189 D CB 2.663 43.510 40.800 0.079 0.000 1.271 189 D HN -0.377 7.995 8.370 0.004 0.000 0.425 190 A N -1.648 121.207 122.820 0.058 0.000 2.246 190 A HA 0.228 4.658 4.320 0.035 -0.089 0.291 190 A C -1.968 175.637 177.584 0.034 0.000 1.103 190 A CA -0.899 51.163 52.037 0.041 0.000 0.844 190 A CB 2.037 21.055 19.000 0.030 0.000 1.136 190 A HN 0.295 8.490 8.150 0.075 0.000 0.500 191 c N -3.449 115.175 118.600 0.042 0.000 3.272 191 c HA 0.143 4.749 4.570 0.060 0.000 0.363 191 c C -1.541 172.603 174.090 0.089 0.000 1.514 191 c CA -0.674 55.694 56.329 0.065 0.000 1.185 191 c CB 2.949 45.504 42.510 0.074 0.000 1.716 191 c HN 0.016 8.475 8.230 0.041 -0.205 0.440 192 Q N 2.090 121.964 119.800 0.124 0.000 2.286 192 Q HA -0.216 4.215 4.340 0.150 0.000 0.290 192 Q C 0.855 176.979 176.000 0.205 0.000 1.049 192 Q CA 2.359 58.265 55.803 0.172 0.000 0.923 192 Q CB 0.726 29.580 28.738 0.193 0.000 1.183 192 Q HN 0.593 8.934 8.270 0.118 0.000 0.383 193 G N 5.114 114.010 108.800 0.161 0.000 2.213 193 G HA2 -0.316 3.666 3.960 0.037 0.000 0.236 193 G HA3 -0.316 3.363 3.960 -0.468 0.000 0.236 193 G C -0.272 174.638 174.900 0.016 0.000 0.991 193 G CA 0.571 45.638 45.100 -0.055 0.000 0.629 193 G HN 0.671 9.065 8.290 0.173 0.000 0.517 194 D N 0.404 120.842 120.400 0.064 0.000 2.350 194 D HA 0.034 4.760 4.640 0.142 0.000 0.213 194 D C 0.113 176.477 176.300 0.105 0.000 1.031 194 D CA 0.727 54.786 54.000 0.099 0.000 0.861 194 D CB 0.712 41.551 40.800 0.065 0.000 0.926 194 D HN 0.094 8.420 8.370 0.076 0.090 0.520 195 S N -0.961 114.786 115.700 0.080 0.000 2.561 195 S HA -0.539 4.091 4.470 0.060 -0.124 0.294 195 S C 0.975 175.548 174.600 -0.045 0.000 1.294 195 S CA 3.352 61.572 58.200 0.034 0.000 1.055 195 S CB 0.228 63.468 63.200 0.067 0.000 0.819 195 S HN -0.387 7.933 8.310 0.095 0.047 0.503 196 G N 4.247 113.004 108.800 -0.071 0.000 2.320 196 G HA2 -0.473 3.511 3.960 -0.077 0.000 0.242 196 G HA3 -0.473 3.574 3.960 -0.098 -0.145 0.242 196 G C -0.038 174.893 174.900 0.052 0.000 1.033 196 G CA 0.303 45.371 45.100 -0.053 0.000 0.620 196 G HN 0.627 8.879 8.290 -0.063 0.000 0.517 197 G N 1.016 109.902 108.800 0.143 0.000 2.621 197 G HA2 0.365 4.470 3.960 0.241 0.000 0.271 197 G HA3 0.365 4.578 3.960 0.422 0.000 0.271 197 G C -2.798 172.251 174.900 0.248 0.000 1.236 197 G CA -1.835 43.429 45.100 0.274 0.000 0.958 197 G HN -0.519 7.750 8.290 0.136 0.102 0.512 198 P HA 0.660 5.356 4.420 0.173 -0.172 0.287 198 P C -1.971 175.432 177.300 0.172 0.000 1.279 198 P CA -1.793 61.433 63.100 0.211 0.000 0.867 198 P CB 2.640 34.471 31.700 0.218 0.000 1.127 199 L N 2.425 123.693 121.223 0.076 0.000 2.345 199 L HA 0.461 4.918 4.340 -0.048 -0.146 0.274 199 L C -2.074 174.759 176.870 -0.062 0.000 0.999 199 L CA -0.954 53.842 54.840 -0.073 0.000 0.849 199 L CB 1.692 43.548 42.059 -0.337 0.000 1.220 199 L HN 0.050 8.320 8.230 0.066 0.000 0.422 200 V N 8.034 127.930 119.914 -0.031 0.000 2.513 200 V HA 0.848 5.133 4.120 -0.087 -0.217 0.299 200 V C -0.982 175.078 176.094 -0.056 0.000 1.035 200 V CA -1.501 60.770 62.300 -0.049 0.000 0.889 200 V CB 2.197 34.025 31.823 0.008 0.000 0.988 200 V HN 0.739 8.926 8.190 -0.004 0.000 0.440 201 c N 5.008 123.564 118.600 -0.074 0.000 3.080 201 c HA 0.442 4.981 4.570 -0.052 0.000 0.307 201 c C -1.345 172.710 174.090 -0.059 0.000 1.311 201 c CA -1.653 54.639 56.329 -0.063 0.000 1.533 201 c CB 4.113 46.581 42.510 -0.070 0.000 1.970 201 c HN 0.969 9.145 8.230 -0.091 0.000 0.467 202 S N 1.336 117.008 115.700 -0.046 0.000 2.475 202 S HA 0.823 5.491 4.470 -0.048 -0.227 0.281 202 S C -0.811 173.765 174.600 -0.040 0.000 1.198 202 S CA -0.485 57.691 58.200 -0.041 0.000 1.063 202 S CB 0.550 63.733 63.200 -0.028 0.000 0.972 202 S HN 0.402 8.686 8.310 -0.043 0.000 0.486 203 L N 4.356 125.555 121.223 -0.040 0.000 2.381 203 L HA 0.275 4.599 4.340 -0.027 0.000 0.274 203 L C -0.604 176.252 176.870 -0.025 0.000 0.988 203 L CA -0.425 54.398 54.840 -0.030 0.000 0.824 203 L CB 2.366 44.408 42.059 -0.027 0.000 1.263 203 L HN 0.861 8.958 8.230 -0.046 0.106 0.410 204 Q N 4.058 123.847 119.800 -0.018 0.000 2.461 204 Q HA -0.414 3.919 4.340 -0.012 0.000 0.264 204 Q C -0.385 175.606 176.000 -0.015 0.000 1.085 204 Q CA 0.916 56.710 55.803 -0.014 0.000 1.006 204 Q CB -1.434 27.297 28.738 -0.011 0.000 1.437 204 Q HN 0.979 9.238 8.270 -0.018 0.000 0.514 205 G N -6.208 102.582 108.800 -0.017 0.000 2.194 205 G HA2 -0.369 3.584 3.960 -0.012 0.000 0.236 205 G HA3 -0.369 3.585 3.960 -0.010 0.000 0.236 205 G C -0.993 173.897 174.900 -0.017 0.000 0.987 205 G CA -0.372 44.720 45.100 -0.014 0.000 0.635 205 G HN -0.029 8.211 8.290 -0.020 0.038 0.520 206 R N 0.009 120.492 120.500 -0.028 0.000 2.787 206 R HA 0.329 4.651 4.340 -0.031 0.000 0.271 206 R C -1.391 174.869 176.300 -0.065 0.000 0.993 206 R CA -1.838 54.237 56.100 -0.042 0.000 0.993 206 R CB 2.102 32.370 30.300 -0.053 0.000 1.155 206 R HN 0.029 8.106 8.270 -0.030 0.175 0.486 207 M N 1.957 121.500 119.600 -0.096 0.000 2.108 207 M HA 0.330 4.896 4.480 -0.096 -0.144 0.347 207 M C -0.451 175.710 176.300 -0.232 0.000 1.326 207 M CA -1.830 53.383 55.300 -0.144 0.000 1.126 207 M CB -1.033 31.471 32.600 -0.159 0.000 1.606 207 M HN 0.725 8.961 8.290 -0.089 0.000 0.462 208 T N 5.660 120.107 114.554 -0.177 0.000 2.888 208 T HA 0.396 4.775 4.350 -0.202 -0.150 0.284 208 T C -1.393 173.205 174.700 -0.170 0.000 1.017 208 T CA -0.662 61.337 62.100 -0.169 0.000 1.022 208 T CB 2.346 71.156 68.868 -0.097 0.000 1.013 208 T HN 1.026 9.188 8.240 -0.130 0.000 0.465 209 L N 6.025 127.148 121.223 -0.167 0.000 2.342 209 L HA 0.037 4.406 4.340 -0.126 -0.105 0.285 209 L C -0.615 176.220 176.870 -0.059 0.000 1.095 209 L CA 0.161 54.930 54.840 -0.118 0.000 0.843 209 L CB -0.071 41.931 42.059 -0.096 0.000 1.201 209 L HN 0.176 8.305 8.230 -0.168 0.000 0.445 210 T N 6.421 120.941 114.554 -0.057 0.000 3.039 210 T HA 0.224 4.568 4.350 -0.010 0.000 0.250 210 T C 0.020 174.713 174.700 -0.012 0.000 1.052 210 T CA 2.572 64.652 62.100 -0.034 0.000 1.125 210 T CB 1.409 70.239 68.868 -0.063 0.000 0.908 210 T HN 0.573 8.768 8.240 -0.074 0.000 0.473 211 G N -1.882 106.903 108.800 -0.024 0.000 2.708 211 G HA2 0.654 4.856 3.960 0.089 0.000 0.289 211 G HA3 0.654 4.622 3.960 0.013 0.000 0.289 211 G C -3.319 171.667 174.900 0.143 0.000 1.416 211 G CA -0.489 44.644 45.100 0.055 0.000 0.829 211 G HN -0.569 7.693 8.290 -0.048 0.000 0.480 212 I N -1.140 119.565 120.570 0.225 0.000 2.465 212 I HA 0.579 5.065 4.170 0.191 -0.201 0.291 212 I C -0.399 175.861 176.117 0.239 0.000 1.014 212 I CA -1.360 60.053 61.300 0.189 0.000 1.093 212 I CB 3.955 41.992 38.000 0.061 0.000 1.267 212 I HN -0.401 8.026 8.210 0.236 -0.076 0.431 213 V N 7.133 127.159 119.914 0.187 0.000 2.540 213 V HA -0.244 3.529 4.120 -0.580 0.000 0.297 213 V C -0.925 175.131 176.094 -0.064 0.000 1.024 213 V CA 2.067 64.305 62.300 -0.104 0.000 1.105 213 V CB -0.765 31.060 31.823 0.004 0.000 0.938 213 V HN 0.606 8.922 8.190 0.210 0.000 0.482 214 S N 7.049 122.669 115.700 -0.133 0.000 3.148 214 S HA 0.381 5.071 4.470 0.235 -0.079 0.246 214 S C -1.404 173.382 174.600 0.310 0.000 1.041 214 S CA 0.488 58.784 58.200 0.160 0.000 0.813 214 S CB 2.104 65.436 63.200 0.219 0.000 0.813 214 S HN -0.098 7.955 8.310 -0.428 0.000 0.546 215 W N -2.784 118.472 121.300 -0.073 0.000 2.895 215 W HA 0.244 4.879 4.660 -0.043 0.000 0.377 215 W C -2.788 173.650 176.519 -0.134 0.000 1.191 215 W CA -1.033 56.269 57.345 -0.071 0.000 1.179 215 W CB 0.777 30.204 29.460 -0.055 0.000 1.469 215 W HN -0.546 7.407 8.180 -0.379 0.000 0.577 216 G N -3.192 105.693 108.800 0.141 0.000 2.387 216 G HA2 0.154 3.981 3.960 -0.222 0.000 0.294 216 G HA3 0.154 4.104 3.960 -0.016 0.000 0.294 216 G C -2.436 172.587 174.900 0.206 0.000 1.509 216 G CA 0.376 45.487 45.100 0.018 0.000 0.806 216 G HN -0.128 8.374 8.290 0.353 0.000 0.546 220 c N 1.177 119.818 118.600 0.067 0.000 2.381 220 c HA 0.131 4.747 4.570 0.075 0.000 0.328 220 c C -0.235 173.899 174.090 0.072 0.000 1.190 220 c CA -0.747 55.624 56.329 0.070 0.000 1.369 220 c CB -0.175 42.375 42.510 0.066 0.000 2.029 220 c HN 0.366 8.630 8.230 0.058 0.000 0.448 221 A N 4.203 127.081 122.820 0.097 0.000 2.930 221 A HA -0.389 4.044 4.320 0.187 0.000 0.273 221 A C -1.656 176.000 177.584 0.121 0.000 1.435 221 A CA 0.846 52.963 52.037 0.133 0.000 0.780 221 A CB -1.622 17.435 19.000 0.095 0.000 1.034 221 A HN 0.462 8.931 8.150 0.105 -0.257 0.562 222 L N -2.240 119.022 121.223 0.065 0.000 2.583 222 L HA -0.123 4.182 4.340 -0.058 0.000 0.165 222 L C 0.954 177.655 176.870 -0.281 0.000 1.560 222 L CA -0.326 54.471 54.840 -0.071 0.000 3.120 222 L CB 0.312 42.319 42.059 -0.087 0.000 2.974 222 L HN -0.452 7.827 8.230 0.081 0.000 0.955 223 D N -4.462 114.581 120.400 -2.261 0.000 3.079 223 D HA -0.363 3.012 4.640 -2.110 0.000 0.205 223 D C -1.141 174.367 176.300 -1.319 0.000 1.147 223 D CA 1.909 54.807 54.000 -1.837 0.000 0.620 223 D CB -1.649 38.350 40.800 -1.336 0.000 1.099 223 D HN 0.187 6.069 8.370 -4.145 0.000 0.405 224 K N -3.268 116.630 120.400 -0.837 0.000 2.753 224 K HA 0.536 4.329 4.320 -0.879 0.000 0.185 224 K C -2.548 174.058 176.600 0.010 0.000 1.071 224 K CA -3.970 52.044 56.287 -0.455 0.000 0.999 224 K CB 0.294 32.677 32.500 -0.194 0.000 1.244 224 K HN -0.626 7.083 8.250 -0.902 0.000 0.594 225 P HA -0.047 4.589 4.420 0.360 0.000 0.273 225 P C -1.100 176.327 177.300 0.212 0.000 1.250 225 P CA -0.247 63.026 63.100 0.288 0.000 0.793 225 P CB 1.085 32.955 31.700 0.283 0.000 1.011 226 G N -2.178 106.705 108.800 0.140 0.000 2.377 226 G HA2 0.515 4.390 3.960 -0.141 0.000 0.299 226 G HA3 0.515 4.452 3.960 -0.039 0.000 0.299 226 G C -1.958 172.837 174.900 -0.176 0.000 1.150 226 G CA -0.884 44.178 45.100 -0.064 0.000 0.847 226 G HN 0.059 8.461 8.290 0.186 0.000 0.501 227 V N 3.251 122.779 119.914 -0.643 0.000 2.667 227 V HA 0.817 4.994 4.120 -0.193 -0.173 0.308 227 V C -0.789 174.919 176.094 -0.643 0.000 1.048 227 V CA -1.329 60.582 62.300 -0.648 0.000 0.928 227 V CB 2.338 33.229 31.823 -1.553 0.000 1.004 227 V HN 0.570 8.281 8.190 -0.799 0.000 0.444 228 Y N 3.162 123.358 120.300 -0.174 0.000 2.576 228 Y HA 0.604 5.260 4.550 -0.037 -0.128 0.346 228 Y C 0.105 176.014 175.900 0.016 0.000 1.018 228 Y CA -2.078 55.991 58.100 -0.052 0.000 1.050 228 Y CB 3.970 42.413 38.460 -0.029 0.000 1.280 228 Y HN 1.030 9.414 8.280 0.173 0.000 0.474 229 T N 3.269 117.932 114.554 0.181 0.000 2.884 229 T HA 0.024 4.473 4.350 0.165 0.000 0.298 229 T C -0.811 173.990 174.700 0.170 0.000 0.998 229 T CA 1.646 63.818 62.100 0.120 0.000 1.124 229 T CB 0.692 69.518 68.868 -0.070 0.000 0.931 229 T HN 0.360 8.702 8.240 0.170 0.000 0.531 230 R N 7.696 128.344 120.500 0.246 0.000 2.608 230 R HA 0.137 4.563 4.340 0.142 0.000 0.277 230 R C 0.939 177.445 176.300 0.342 0.000 1.341 230 R CA -0.881 55.341 56.100 0.202 0.000 1.199 230 R CB -0.393 29.927 30.300 0.034 0.000 1.156 230 R HN 0.076 8.543 8.270 0.328 0.000 0.558 231 V N 7.713 127.774 119.914 0.244 0.000 2.250 231 V HA -0.619 3.689 4.120 0.313 0.000 0.250 231 V C 1.390 177.629 176.094 0.242 0.000 1.060 231 V CA 4.228 66.677 62.300 0.249 0.000 1.030 231 V CB -0.168 31.724 31.823 0.114 0.000 0.643 231 V HN 0.080 8.366 8.190 0.160 0.000 0.445 232 S N -0.759 115.043 115.700 0.170 0.000 2.441 232 S HA -0.414 4.048 4.470 -0.013 0.000 0.242 232 S C 1.326 175.852 174.600 -0.123 0.000 1.018 232 S CA 3.360 61.602 58.200 0.070 0.000 0.988 232 S CB -0.256 63.037 63.200 0.154 0.000 0.778 232 S HN 0.327 8.733 8.310 0.161 0.000 0.498 233 H N -0.203 118.750 119.070 -0.195 0.000 2.575 233 H HA 0.078 4.128 4.556 -0.843 0.000 0.267 233 H C 0.455 175.452 175.328 -0.552 0.000 0.966 233 H CA 1.521 57.303 56.048 -0.444 0.000 1.165 233 H CB 0.383 29.998 29.762 -0.244 0.000 1.433 233 H HN -0.323 7.993 8.280 0.356 0.178 0.544 234 F N -2.918 117.048 119.950 0.028 0.000 2.678 234 F HA 0.051 4.671 4.527 0.155 0.000 0.305 234 F C 0.287 176.168 175.800 0.135 0.000 1.090 234 F CA 0.665 58.736 58.000 0.120 0.000 1.272 234 F CB 0.868 39.953 39.000 0.143 0.000 1.060 234 F HN 0.034 8.295 8.300 0.251 0.189 0.576 235 L N 1.608 122.890 121.223 0.099 0.000 2.051 235 L HA -0.329 4.067 4.340 0.093 0.000 0.214 235 L C -0.633 176.282 176.870 0.074 0.000 1.076 235 L CA 5.253 60.123 54.840 0.051 0.000 0.758 235 L CB -3.350 38.663 42.059 -0.077 0.000 0.890 235 L HN -0.315 7.846 8.230 -0.030 0.051 0.433 236 P HA -0.191 4.250 4.420 0.034 0.000 0.215 236 P C 1.451 178.843 177.300 0.153 0.000 1.157 236 P CA 3.182 66.335 63.100 0.088 0.000 0.868 236 P CB -0.537 31.221 31.700 0.097 0.000 0.788 237 W N -1.068 120.302 121.300 0.117 0.000 2.355 237 W HA -0.183 4.587 4.660 0.183 0.000 0.309 237 W C 2.135 178.771 176.519 0.196 0.000 1.206 237 W CA 3.756 61.227 57.345 0.209 0.000 1.284 237 W CB -0.153 29.532 29.460 0.376 0.000 1.145 237 W HN -0.821 7.612 8.180 0.421 0.000 0.502 238 I N -0.467 120.247 120.570 0.240 0.000 2.099 238 I HA -0.753 3.215 4.170 -0.337 0.000 0.239 238 I C 2.222 178.198 176.117 -0.234 0.000 1.066 238 I CA 4.859 66.106 61.300 -0.087 0.000 1.324 238 I CB -0.417 37.607 38.000 0.040 0.000 1.037 238 I HN 0.186 8.669 8.210 0.455 0.000 0.401 239 R N -0.557 119.865 120.500 -0.130 0.000 2.115 239 R HA -0.437 3.789 4.340 -0.191 0.000 0.239 239 R C 2.642 178.801 176.300 -0.234 0.000 1.133 239 R CA 3.521 59.522 56.100 -0.165 0.000 0.935 239 R CB -0.175 30.070 30.300 -0.092 0.000 0.853 239 R HN 0.205 8.452 8.270 -0.038 0.000 0.433 240 S N -2.350 113.204 115.700 -0.244 0.000 2.461 240 S HA -0.147 4.155 4.470 -0.280 0.000 0.246 240 S C 0.896 175.139 174.600 -0.595 0.000 1.007 240 S CA 2.519 60.488 58.200 -0.385 0.000 0.976 240 S CB -0.391 62.557 63.200 -0.420 0.000 0.763 240 S HN 0.028 8.240 8.310 -0.163 0.000 0.508 241 H N -1.019 117.762 119.070 -0.482 0.000 2.615 241 H HA 0.244 4.583 4.556 -0.363 0.000 0.275 241 H C 0.122 175.071 175.328 -0.631 0.000 0.981 241 H CA 1.085 56.809 56.048 -0.540 0.000 1.252 241 H CB 1.528 30.829 29.762 -0.768 0.000 1.447 241 H HN -0.099 7.749 8.280 -0.413 0.185 0.498 242 T N 0.000 114.162 114.554 -0.653 0.000 3.816 242 T HA 0.000 3.609 4.350 -1.235 0.000 0.228 242 T CA 0.000 61.628 62.100 -0.787 0.000 1.349 242 T CB 0.000 68.370 68.868 -0.831 0.000 0.612 242 T HN 0.000 7.909 8.240 -0.552 0.000 0.658