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 2yuj_1_A DATA FIRST_RESID 1 DATA SEQUENCE GSSGSSGIPR VFQNRFSTQY RCFSVSMLAG PNDRSDVEKG GKIIMPPSAL DATA SEQUENCE DQLSRLNITY PMLFKLTNKN SDRMTHCGVL EFVADEGICY LPHWMMQNLL DATA SEQUENCE LEEGGLVQVE SVNLQVATYS KFQPQSPDFL DITNPKAVLE NALRNFACLT DATA SEQUENCE TGDVIAINYN EKIYELRVME TKPDKAVSII ECDMNVDFDA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.940 3.960 -0.033 0.000 0.244 1 G C 0.000 174.880 174.900 -0.034 0.000 0.946 1 G CA 0.000 45.075 45.100 -0.042 0.000 0.502 2 S N 1.122 116.803 115.700 -0.030 0.000 2.595 2 S HA 0.220 4.676 4.470 -0.022 0.000 0.281 2 S C -0.420 174.171 174.600 -0.014 0.000 1.117 2 S CA -0.706 57.479 58.200 -0.025 0.000 0.873 2 S CB 2.325 65.503 63.200 -0.036 0.000 1.108 2 S HN -0.159 8.133 8.310 -0.030 0.000 0.477 3 S N 1.563 117.256 115.700 -0.012 0.000 2.543 3 S HA 0.244 4.713 4.470 -0.002 0.000 0.299 3 S C -0.296 174.299 174.600 -0.009 0.000 1.125 3 S CA -0.247 57.949 58.200 -0.006 0.000 1.098 3 S CB -0.108 63.090 63.200 -0.004 0.000 1.063 3 S HN 0.326 8.627 8.310 -0.014 0.000 0.493 4 G N 4.649 113.444 108.800 -0.008 0.000 4.399 4 G HA2 -0.143 3.813 3.960 -0.007 0.000 0.159 4 G HA3 -0.143 3.809 3.960 -0.013 0.000 0.159 4 G C -1.424 173.470 174.900 -0.009 0.000 1.458 4 G CA 0.326 45.420 45.100 -0.009 0.000 0.942 4 G HN 0.103 8.390 8.290 -0.006 0.000 0.306 5 S N 0.177 115.870 115.700 -0.013 0.000 3.551 5 S HA -0.071 4.387 4.470 -0.019 0.000 0.547 5 S C -0.302 174.291 174.600 -0.012 0.000 0.699 5 S CA -0.207 57.986 58.200 -0.012 0.000 1.399 5 S CB 0.341 63.540 63.200 -0.001 0.000 0.922 5 S HN -0.175 8.124 8.310 -0.018 0.000 0.818 6 S N 1.658 117.347 115.700 -0.019 0.000 2.357 6 S HA -0.092 4.369 4.470 -0.015 0.000 0.221 6 S C 1.342 175.933 174.600 -0.016 0.000 1.031 6 S CA 1.934 60.123 58.200 -0.018 0.000 0.982 6 S CB 0.331 63.516 63.200 -0.024 0.000 0.853 6 S HN 0.047 8.343 8.310 -0.024 0.000 0.458 7 G N -0.482 108.307 108.800 -0.018 0.000 3.393 7 G HA2 0.045 3.998 3.960 -0.011 0.000 0.255 7 G HA3 0.045 3.994 3.960 -0.019 0.000 0.255 7 G C -1.259 173.637 174.900 -0.007 0.000 1.097 7 G CA -0.643 44.449 45.100 -0.014 0.000 0.780 7 G HN -0.419 7.857 8.290 -0.024 0.000 0.540 8 I N -1.752 118.816 120.570 -0.004 0.000 7.356 8 I HA -0.402 3.774 4.170 0.010 0.000 0.126 8 I C -2.336 173.788 176.117 0.012 0.000 1.829 8 I CA -0.768 60.537 61.300 0.008 0.000 2.068 8 I CB -1.102 36.907 38.000 0.014 0.000 3.620 8 I HN -0.474 7.555 8.210 -0.007 0.177 0.179 9 P HA 0.003 4.413 4.420 -0.016 0.000 0.272 9 P C -1.053 176.270 177.300 0.038 0.000 1.243 9 P CA 0.263 63.358 63.100 -0.008 0.000 0.803 9 P CB 0.523 32.193 31.700 -0.051 0.000 0.974 10 R N -2.979 117.547 120.500 0.045 0.000 2.472 10 R HA 0.109 4.585 4.340 0.226 0.000 0.368 10 R C -1.284 175.108 176.300 0.153 0.000 0.825 10 R CA -0.008 56.173 56.100 0.135 0.000 1.025 10 R CB 0.751 31.112 30.300 0.102 0.000 1.541 10 R HN 0.177 8.448 8.270 0.002 0.000 0.589 11 V N -2.953 116.979 119.914 0.030 0.000 2.370 11 V HA 0.321 4.499 4.120 0.096 0.000 0.283 11 V C -1.293 174.717 176.094 -0.141 0.000 1.023 11 V CA -0.398 61.903 62.300 0.001 0.000 0.857 11 V CB 0.534 32.319 31.823 -0.064 0.000 0.985 11 V HN -0.415 7.734 8.190 -0.067 0.000 0.443 12 F N 4.499 124.454 119.950 0.008 0.000 2.455 12 F HA 0.091 4.620 4.527 0.004 0.000 0.278 12 F C 0.315 176.123 175.800 0.013 0.000 0.887 12 F CA 0.242 58.247 58.000 0.008 0.000 1.104 12 F CB 1.402 40.406 39.000 0.007 0.000 0.949 12 F HN 0.454 8.902 8.300 0.247 0.000 0.750 13 Q N 1.606 121.532 119.800 0.211 0.000 2.841 13 Q HA -0.164 4.251 4.340 0.126 0.000 0.198 13 Q C -0.576 175.479 176.000 0.091 0.000 1.135 13 Q CA 0.011 55.891 55.803 0.128 0.000 1.167 13 Q CB 0.592 29.392 28.738 0.102 0.000 1.288 13 Q HN -0.245 8.167 8.270 0.236 0.000 0.670 14 N N 1.164 119.911 118.700 0.078 0.000 2.420 14 N HA 0.006 4.786 4.740 0.067 0.000 0.249 14 N C -0.702 174.861 175.510 0.088 0.000 1.033 14 N CA 0.262 53.355 53.050 0.073 0.000 0.944 14 N CB 0.016 38.541 38.487 0.064 0.000 1.113 14 N HN 0.129 8.554 8.380 0.075 0.000 0.502 15 R N 2.357 122.920 120.500 0.105 0.000 2.753 15 R HA 0.076 4.512 4.340 0.161 0.000 0.272 15 R C -2.192 174.233 176.300 0.208 0.000 1.034 15 R CA -0.684 55.506 56.100 0.151 0.000 0.869 15 R CB 3.242 33.619 30.300 0.128 0.000 1.264 15 R HN 0.104 8.428 8.270 0.090 0.000 0.481 16 F N 3.343 123.363 119.950 0.116 0.000 2.541 16 F HA -0.059 4.542 4.527 0.125 0.000 0.378 16 F C -1.586 174.309 175.800 0.158 0.000 1.068 16 F CA 0.297 58.394 58.000 0.162 0.000 1.199 16 F CB 1.095 40.262 39.000 0.279 0.000 1.091 16 F HN -0.007 8.531 8.300 0.397 0.000 0.555 17 S N 5.897 121.405 115.700 -0.320 0.000 2.609 17 S HA 0.798 5.424 4.470 -0.143 -0.241 0.250 17 S C -1.175 173.197 174.600 -0.381 0.000 1.112 17 S CA -0.986 57.069 58.200 -0.241 0.000 1.102 17 S CB 1.487 64.630 63.200 -0.094 0.000 1.124 17 S HN 0.073 8.103 8.310 -0.468 0.000 0.460 18 T N 2.121 116.422 114.554 -0.422 0.000 2.700 18 T HA 0.142 4.311 4.350 -0.302 0.000 0.307 18 T C -2.328 172.187 174.700 -0.309 0.000 1.580 18 T CA -0.601 61.257 62.100 -0.403 0.000 0.992 18 T CB 0.966 69.492 68.868 -0.570 0.000 1.577 18 T HN 0.235 8.261 8.240 -0.356 0.000 0.496 19 Q N 0.333 119.940 119.800 -0.321 0.000 2.205 19 Q HA 0.566 5.067 4.340 -0.124 -0.235 0.249 19 Q C -1.068 174.714 176.000 -0.363 0.000 0.948 19 Q CA -0.473 55.193 55.803 -0.229 0.000 0.895 19 Q CB 2.513 31.151 28.738 -0.167 0.000 1.249 19 Q HN 0.135 8.202 8.270 -0.338 0.000 0.458 20 Y N -0.362 119.888 120.300 -0.084 0.000 2.544 20 Y HA 0.096 4.613 4.550 -0.054 0.000 0.342 20 Y C -1.767 174.094 175.900 -0.066 0.000 1.062 20 Y CA -0.517 57.542 58.100 -0.068 0.000 1.023 20 Y CB 4.811 43.226 38.460 -0.074 0.000 1.308 20 Y HN -0.292 8.001 8.280 0.021 0.000 0.457 21 R N 2.449 123.050 120.500 0.167 0.000 2.288 21 R HA 0.023 4.413 4.340 -0.005 -0.053 0.330 21 R C -0.478 175.853 176.300 0.052 0.000 1.069 21 R CA -0.348 55.796 56.100 0.074 0.000 0.941 21 R CB -0.883 29.503 30.300 0.144 0.000 0.998 21 R HN 0.613 9.032 8.270 0.248 0.000 0.452 22 C N 5.196 124.454 119.300 -0.070 0.000 2.576 22 C HA -0.032 4.534 4.460 -0.020 -0.117 0.401 22 C C -1.011 173.865 174.990 -0.191 0.000 1.314 22 C CA 1.286 60.253 59.018 -0.086 0.000 1.855 22 C CB 0.212 27.886 27.740 -0.111 0.000 2.537 22 C HN 0.596 8.648 8.230 -0.100 0.118 0.578 23 F N 3.660 123.607 119.950 -0.005 0.000 2.675 23 F HA 0.288 4.826 4.527 0.018 0.000 0.324 23 F C -1.501 174.341 175.800 0.070 0.000 1.106 23 F CA -0.706 57.324 58.000 0.051 0.000 0.970 23 F CB 4.875 43.946 39.000 0.119 0.000 1.385 23 F HN 0.664 9.060 8.300 0.160 0.000 0.489 24 S N -0.481 115.416 115.700 0.327 0.000 2.632 24 S HA 0.295 4.883 4.470 0.002 -0.116 0.267 24 S C 1.081 175.714 174.600 0.054 0.000 1.276 24 S CA 0.146 58.395 58.200 0.082 0.000 0.998 24 S CB 1.364 64.538 63.200 -0.042 0.000 0.953 24 S HN 0.200 8.813 8.310 0.506 0.000 0.547 25 V N -2.260 117.620 119.914 -0.058 0.000 2.649 25 V HA -0.032 3.953 4.120 -0.225 0.000 0.248 25 V C 1.381 177.335 176.094 -0.234 0.000 1.054 25 V CA 2.371 64.579 62.300 -0.153 0.000 1.073 25 V CB -0.134 31.645 31.823 -0.073 0.000 0.699 25 V HN 0.327 8.476 8.190 -0.069 0.000 0.463 26 S N 0.222 115.831 115.700 -0.151 0.000 2.399 26 S HA -0.249 4.272 4.470 -0.126 -0.126 0.231 26 S C 1.199 175.697 174.600 -0.169 0.000 1.022 26 S CA 2.288 60.407 58.200 -0.134 0.000 0.983 26 S CB -0.501 62.648 63.200 -0.085 0.000 0.803 26 S HN 0.135 8.372 8.310 -0.121 0.000 0.480 27 M N -0.102 119.387 119.600 -0.185 0.000 2.267 27 M HA -0.115 4.294 4.480 -0.118 0.000 0.263 27 M C 0.859 176.975 176.300 -0.308 0.000 1.063 27 M CA 1.615 56.805 55.300 -0.183 0.000 1.090 27 M CB -0.268 32.277 32.600 -0.092 0.000 1.392 27 M HN -0.466 7.709 8.290 -0.150 0.026 0.422 28 L N 0.155 121.037 121.223 -0.568 0.000 2.492 28 L HA -0.157 3.817 4.340 -0.610 0.000 0.280 28 L C -0.562 176.160 176.870 -0.247 0.000 1.240 28 L CA 0.134 54.633 54.840 -0.569 0.000 0.831 28 L CB 0.832 42.503 42.059 -0.645 0.000 1.100 28 L HN -0.695 7.012 8.230 -0.621 0.150 0.505 29 A N 4.478 127.206 122.820 -0.153 0.000 2.407 29 A HA -0.182 4.091 4.320 -0.078 0.000 0.257 29 A C -0.697 176.838 177.584 -0.082 0.000 1.131 29 A CA 0.692 52.677 52.037 -0.087 0.000 0.803 29 A CB 0.398 19.370 19.000 -0.047 0.000 1.083 29 A HN 0.161 8.228 8.150 -0.138 0.000 0.512 30 G N -2.884 105.883 108.800 -0.055 0.000 2.576 30 G HA2 -0.089 3.849 3.960 -0.035 0.000 0.686 30 G HA3 -0.089 3.839 3.960 -0.053 0.000 0.686 30 G C -2.249 172.627 174.900 -0.041 0.000 1.242 30 G CA -0.682 44.391 45.100 -0.046 0.000 0.819 30 G HN -0.380 7.882 8.290 -0.046 0.000 0.655 31 P HA 0.038 4.443 4.420 -0.024 0.000 0.217 31 P C -0.088 177.196 177.300 -0.025 0.000 1.151 31 P CA 1.050 64.136 63.100 -0.024 0.000 0.828 31 P CB 0.343 32.032 31.700 -0.018 0.000 0.788 32 N N -1.709 116.976 118.700 -0.026 0.000 2.471 32 N HA 0.171 4.898 4.740 -0.021 0.000 0.288 32 N C -1.668 173.822 175.510 -0.034 0.000 1.220 32 N CA -0.993 52.043 53.050 -0.024 0.000 0.893 32 N CB 1.814 40.291 38.487 -0.016 0.000 1.256 32 N HN -0.420 7.943 8.380 -0.027 0.000 0.534 33 D N 0.787 121.170 120.400 -0.029 0.000 2.233 33 D HA 0.160 4.767 4.640 -0.055 0.000 0.240 33 D C -0.222 176.064 176.300 -0.023 0.000 1.074 33 D CA -0.413 53.566 54.000 -0.036 0.000 0.838 33 D CB 1.132 41.913 40.800 -0.031 0.000 1.124 33 D HN 0.159 8.518 8.370 -0.020 0.000 0.475 34 R N 2.959 123.440 120.500 -0.031 0.000 2.442 34 R HA 0.067 4.401 4.340 -0.010 0.000 0.291 34 R C 0.658 176.960 176.300 0.004 0.000 1.069 34 R CA 0.435 56.526 56.100 -0.016 0.000 1.022 34 R CB 0.580 30.866 30.300 -0.024 0.000 0.976 34 R HN 0.344 8.583 8.270 -0.051 0.000 0.443 35 S N 4.635 120.346 115.700 0.018 0.000 2.514 35 S HA 0.063 4.563 4.470 0.050 0.000 0.223 35 S C 1.003 175.628 174.600 0.043 0.000 1.046 35 S CA 1.596 59.819 58.200 0.039 0.000 0.914 35 S CB 0.824 64.048 63.200 0.040 0.000 0.807 35 S HN 0.382 8.700 8.310 0.013 0.000 0.497 36 D N 1.129 121.545 120.400 0.027 0.000 2.149 36 D HA -0.299 4.355 4.640 0.024 0.000 0.198 36 D C 1.061 177.372 176.300 0.018 0.000 0.990 36 D CA 2.382 56.394 54.000 0.020 0.000 0.839 36 D CB -1.078 39.728 40.800 0.010 0.000 0.948 36 D HN 0.206 8.587 8.370 0.019 0.000 0.460 37 V N -1.475 118.453 119.914 0.024 0.000 2.295 37 V HA -0.377 3.754 4.120 0.019 0.000 0.246 37 V C 1.782 177.925 176.094 0.083 0.000 1.049 37 V CA 2.787 65.108 62.300 0.035 0.000 1.024 37 V CB -0.275 31.564 31.823 0.026 0.000 0.648 37 V HN -0.578 7.607 8.190 0.020 0.017 0.447 38 E N -1.548 118.721 120.200 0.116 0.000 2.153 38 E HA -0.294 4.243 4.350 0.311 0.000 0.194 38 E C 1.318 178.029 176.600 0.185 0.000 0.988 38 E CA 2.209 58.744 56.400 0.224 0.000 0.811 38 E CB -0.284 29.547 29.700 0.218 0.000 0.746 38 E HN -0.305 8.107 8.360 0.087 0.000 0.466 39 K N -0.491 119.946 120.400 0.061 0.000 2.737 39 K HA -0.030 4.276 4.320 -0.023 0.000 0.251 39 K C -0.988 175.489 176.600 -0.204 0.000 1.280 39 K CA -0.185 56.084 56.287 -0.030 0.000 1.219 39 K CB -1.624 30.887 32.500 0.018 0.000 1.587 39 K HN -0.668 7.494 8.250 0.061 0.125 0.279 40 G N -2.007 106.560 108.800 -0.389 0.000 2.323 40 G HA2 0.034 3.180 3.960 -1.357 0.000 0.291 40 G HA3 0.034 3.739 3.960 -0.425 0.000 0.291 40 G C -2.526 171.999 174.900 -0.625 0.000 1.278 40 G CA 0.439 45.090 45.100 -0.749 0.000 0.860 40 G HN -0.380 7.684 8.290 -0.251 0.075 0.504 41 G N -1.721 106.811 108.800 -0.446 0.000 4.873 41 G HA2 0.281 4.568 3.960 0.544 0.000 0.314 41 G HA3 0.281 4.361 3.960 0.200 0.000 0.314 41 G C -1.761 173.240 174.900 0.169 0.000 1.426 41 G CA -0.536 44.639 45.100 0.124 0.000 1.136 41 G HN 0.003 8.006 8.290 -0.478 0.000 0.589 42 K N -0.352 120.129 120.400 0.137 0.000 2.422 42 K HA 0.870 5.452 4.320 0.096 -0.205 0.251 42 K C -1.537 175.106 176.600 0.072 0.000 0.933 42 K CA -2.035 54.303 56.287 0.086 0.000 0.798 42 K CB 2.915 35.436 32.500 0.034 0.000 1.238 42 K HN -0.870 7.472 8.250 0.153 0.000 0.428 43 I N -4.986 115.601 120.570 0.030 0.000 3.445 43 I HA 0.434 4.614 4.170 0.017 0.000 0.303 43 I C -2.220 173.857 176.117 -0.066 0.000 1.129 43 I CA -2.122 59.175 61.300 -0.006 0.000 0.989 43 I CB 3.776 41.764 38.000 -0.020 0.000 1.314 43 I HN -0.390 7.834 8.210 0.024 0.000 0.488 44 I N -0.655 119.881 120.570 -0.057 0.000 2.468 44 I HA 0.693 4.977 4.170 -0.188 -0.227 0.285 44 I C -1.166 174.864 176.117 -0.145 0.000 1.039 44 I CA -1.134 60.112 61.300 -0.089 0.000 1.074 44 I CB 2.554 40.587 38.000 0.056 0.000 1.228 44 I HN -0.139 8.061 8.210 -0.015 0.000 0.436 45 M N 5.792 125.251 119.600 -0.235 0.000 2.537 45 M HA 0.586 4.882 4.480 -0.306 0.000 0.324 45 M C -2.688 173.601 176.300 -0.018 0.000 1.187 45 M CA -2.682 52.495 55.300 -0.206 0.000 0.993 45 M CB 1.464 33.945 32.600 -0.197 0.000 1.666 45 M HN -0.303 7.764 8.290 -0.371 0.000 0.461 46 P HA 0.118 4.717 4.420 0.000 -0.179 0.267 46 P C -1.221 176.139 177.300 0.099 0.000 1.201 46 P CA -0.767 62.335 63.100 0.002 0.000 0.775 46 P CB -0.946 30.746 31.700 -0.013 0.000 0.854 47 P HA -0.184 4.281 4.420 0.074 0.000 0.218 47 P C 1.275 178.555 177.300 -0.034 0.000 1.146 47 P CA 2.100 65.226 63.100 0.042 0.000 0.813 47 P CB 0.081 31.799 31.700 0.030 0.000 0.778 48 S N -2.493 113.208 115.700 0.003 0.000 2.400 48 S HA -0.297 4.164 4.470 -0.016 0.000 0.232 48 S C 1.684 176.248 174.600 -0.060 0.000 1.025 48 S CA 2.772 60.973 58.200 0.002 0.000 0.993 48 S CB -0.601 62.645 63.200 0.077 0.000 0.808 48 S HN -0.071 8.228 8.310 0.033 0.031 0.478 49 A N 2.223 124.989 122.820 -0.089 0.000 1.940 49 A HA -0.250 3.866 4.320 -0.339 0.000 0.219 49 A C 1.602 178.894 177.584 -0.486 0.000 1.176 49 A CA 2.769 54.653 52.037 -0.256 0.000 0.631 49 A CB -0.578 18.404 19.000 -0.030 0.000 0.814 49 A HN 0.052 8.054 8.150 -0.012 0.141 0.446 50 L N -1.774 119.033 121.223 -0.693 0.000 2.046 50 L HA -0.342 3.362 4.340 -1.061 0.000 0.208 50 L C 1.728 178.374 176.870 -0.372 0.000 1.077 50 L CA 3.487 57.851 54.840 -0.793 0.000 0.747 50 L CB -0.144 41.474 42.059 -0.734 0.000 0.896 50 L HN -0.461 7.335 8.230 -0.545 0.107 0.432 51 D N -1.725 118.534 120.400 -0.236 0.000 2.117 51 D HA -0.330 4.239 4.640 -0.119 0.000 0.198 51 D C 2.534 178.777 176.300 -0.095 0.000 0.982 51 D CA 3.455 57.378 54.000 -0.127 0.000 0.828 51 D CB -0.405 40.352 40.800 -0.072 0.000 0.967 51 D HN -0.689 7.545 8.370 -0.228 0.000 0.464 52 Q N 0.064 119.804 119.800 -0.101 0.000 2.016 52 Q HA -0.223 4.134 4.340 0.028 0.000 0.200 52 Q C 2.623 178.590 176.000 -0.055 0.000 0.978 52 Q CA 3.060 58.844 55.803 -0.032 0.000 0.833 52 Q CB 0.001 28.749 28.738 0.017 0.000 0.895 52 Q HN -0.304 7.884 8.270 -0.137 0.000 0.427 53 L N -1.818 119.306 121.223 -0.164 0.000 2.127 53 L HA -0.419 3.898 4.340 -0.038 0.000 0.211 53 L C 2.034 178.866 176.870 -0.062 0.000 1.089 53 L CA 2.803 57.580 54.840 -0.105 0.000 0.757 53 L CB -0.549 41.424 42.059 -0.143 0.000 0.899 53 L HN 0.170 8.235 8.230 -0.275 0.000 0.434 54 S N -2.766 112.881 115.700 -0.089 0.000 2.423 54 S HA -0.225 4.215 4.470 -0.050 0.000 0.231 54 S C 1.457 176.043 174.600 -0.023 0.000 1.014 54 S CA 2.474 60.639 58.200 -0.059 0.000 0.965 54 S CB -0.014 63.140 63.200 -0.077 0.000 0.785 54 S HN -0.272 7.840 8.310 -0.132 0.119 0.495 55 R N -0.867 119.626 120.500 -0.011 0.000 2.223 55 R HA -0.059 4.285 4.340 0.007 0.000 0.198 55 R C 1.532 177.851 176.300 0.030 0.000 0.984 55 R CA 0.314 56.421 56.100 0.011 0.000 1.018 55 R CB -0.140 30.171 30.300 0.018 0.000 0.945 55 R HN -0.418 7.696 8.270 -0.021 0.144 0.479 56 L N -2.276 118.971 121.223 0.041 0.000 2.610 56 L HA -0.128 4.255 4.340 0.071 0.000 0.232 56 L C -0.401 176.498 176.870 0.048 0.000 1.149 56 L CA 0.477 55.355 54.840 0.064 0.000 0.872 56 L CB -0.468 41.653 42.059 0.104 0.000 0.992 56 L HN -0.282 7.856 8.230 0.028 0.109 0.447 57 N N -5.012 113.706 118.700 0.030 0.000 2.776 57 N HA -0.397 4.354 4.740 0.019 0.000 0.249 57 N C -1.345 174.182 175.510 0.028 0.000 1.111 57 N CA 1.132 54.198 53.050 0.026 0.000 0.711 57 N CB -1.100 37.404 38.487 0.028 0.000 1.065 57 N HN -0.410 7.906 8.380 0.022 0.077 0.556 58 I N -1.319 119.267 120.570 0.027 0.000 2.331 58 I HA 0.066 4.252 4.170 0.026 0.000 0.292 58 I C -0.847 175.289 176.117 0.032 0.000 0.998 58 I CA 0.033 61.349 61.300 0.026 0.000 1.267 58 I CB 0.419 38.432 38.000 0.023 0.000 1.386 58 I HN -0.834 7.368 8.210 0.022 0.021 0.476 59 T N 6.651 121.230 114.554 0.043 0.000 2.905 59 T HA 0.128 4.529 4.350 0.086 0.000 0.283 59 T C -1.817 172.957 174.700 0.124 0.000 1.031 59 T CA -1.866 60.282 62.100 0.080 0.000 1.002 59 T CB 1.098 70.008 68.868 0.069 0.000 1.200 59 T HN 0.097 8.357 8.240 0.032 0.000 0.560 60 Y N 1.502 121.805 120.300 0.004 0.000 2.511 60 Y HA -0.052 4.499 4.550 0.003 0.000 0.332 60 Y C -0.906 174.995 175.900 0.001 0.000 1.177 60 Y CA -1.235 56.868 58.100 0.006 0.000 1.422 60 Y CB -0.036 38.434 38.460 0.016 0.000 1.271 60 Y HN -0.026 8.409 8.280 0.258 0.000 0.550 61 P HA 0.065 3.301 4.420 -1.974 0.000 0.276 61 P C -2.156 174.939 177.300 -0.342 0.000 1.261 61 P CA -0.688 61.939 63.100 -0.788 0.000 0.800 61 P CB 1.204 32.534 31.700 -0.618 0.000 1.066 62 M N -0.181 119.234 119.600 -0.309 0.000 1.986 62 M HA 0.210 4.552 4.480 -0.231 0.000 0.247 62 M C -1.368 174.718 176.300 -0.356 0.000 0.851 62 M CA -0.062 55.106 55.300 -0.220 0.000 0.785 62 M CB 0.226 32.808 32.600 -0.030 0.000 1.554 62 M HN 0.089 8.106 8.290 -0.455 0.000 0.361 63 L N 0.382 121.405 121.223 -0.333 0.000 2.360 63 L HA 0.471 4.800 4.340 -0.159 -0.084 0.271 63 L C -1.035 175.618 176.870 -0.362 0.000 1.057 63 L CA -0.543 54.156 54.840 -0.235 0.000 0.803 63 L CB 1.537 43.571 42.059 -0.042 0.000 1.207 63 L HN -0.178 7.893 8.230 -0.265 0.000 0.445 64 F N -0.846 119.175 119.950 0.119 0.000 2.523 64 F HA 0.537 5.330 4.527 0.135 -0.185 0.329 64 F C -0.642 175.179 175.800 0.036 0.000 1.061 64 F CA -1.720 56.346 58.000 0.111 0.000 0.967 64 F CB 4.015 43.086 39.000 0.119 0.000 1.218 64 F HN 0.380 8.812 8.300 0.221 0.000 0.480 65 K N 1.439 121.941 120.400 0.171 0.000 2.414 65 K HA 0.263 4.251 4.320 -0.554 0.000 0.251 65 K C -0.962 175.565 176.600 -0.122 0.000 1.037 65 K CA -1.167 55.012 56.287 -0.180 0.000 0.980 65 K CB 0.916 33.350 32.500 -0.110 0.000 1.280 65 K HN 0.472 8.869 8.250 0.287 0.025 0.451 66 L N 8.979 130.115 121.223 -0.146 0.000 2.363 66 L HA 0.214 4.717 4.340 -0.035 -0.183 0.286 66 L C -0.814 176.000 176.870 -0.094 0.000 1.106 66 L CA -0.347 54.447 54.840 -0.077 0.000 0.859 66 L CB -0.015 42.013 42.059 -0.052 0.000 1.223 66 L HN 0.234 8.346 8.230 -0.196 0.000 0.446 67 T N 8.336 122.851 114.554 -0.064 0.000 2.781 67 T HA 0.200 4.634 4.350 -0.047 -0.113 0.305 67 T C -1.282 173.398 174.700 -0.033 0.000 1.001 67 T CA -0.021 62.051 62.100 -0.045 0.000 0.950 67 T CB 0.398 69.248 68.868 -0.030 0.000 0.955 67 T HN 0.319 8.530 8.240 -0.049 0.000 0.471 68 N N 6.740 125.423 118.700 -0.028 0.000 2.442 68 N HA -0.109 4.611 4.740 -0.034 0.000 0.265 68 N C -0.141 175.356 175.510 -0.021 0.000 1.138 68 N CA 0.038 53.072 53.050 -0.027 0.000 0.956 68 N CB 0.751 39.224 38.487 -0.024 0.000 1.067 68 N HN 0.191 8.556 8.380 -0.025 0.000 0.474 69 K N 4.222 124.607 120.400 -0.025 0.000 2.684 69 K HA 0.111 4.421 4.320 -0.016 0.000 0.215 69 K C -0.957 175.631 176.600 -0.020 0.000 1.073 69 K CA 0.071 56.345 56.287 -0.021 0.000 1.197 69 K CB -0.722 31.762 32.500 -0.025 0.000 0.955 69 K HN 0.467 8.699 8.250 -0.031 0.000 0.473 70 N N -1.432 117.256 118.700 -0.019 0.000 2.516 70 N HA 0.015 4.744 4.740 -0.018 0.000 0.197 70 N C 0.210 175.713 175.510 -0.012 0.000 1.064 70 N CA 0.903 53.943 53.050 -0.018 0.000 0.866 70 N CB 0.676 39.150 38.487 -0.023 0.000 1.255 70 N HN -0.141 8.128 8.380 -0.019 0.100 0.447 71 S N -1.565 114.130 115.700 -0.009 0.000 3.073 71 S HA 0.091 4.559 4.470 -0.003 0.000 0.252 71 S C -1.246 173.354 174.600 0.000 0.000 0.953 71 S CA -0.017 58.181 58.200 -0.003 0.000 1.105 71 S CB 0.390 63.589 63.200 -0.002 0.000 1.070 71 S HN -0.622 7.682 8.310 -0.010 0.000 0.574 72 D N -0.105 120.295 120.400 -0.001 0.000 2.772 72 D HA -0.379 4.328 4.640 0.002 -0.066 0.233 72 D C -1.248 175.057 176.300 0.008 0.000 1.143 72 D CA 1.555 55.557 54.000 0.003 0.000 0.700 72 D CB -0.481 40.323 40.800 0.006 0.000 1.076 72 D HN -0.140 8.227 8.370 -0.005 0.000 0.430 73 R N -3.128 117.375 120.500 0.005 0.000 2.500 73 R HA 0.140 4.492 4.340 0.019 0.000 0.275 73 R C -1.255 175.052 176.300 0.012 0.000 1.051 73 R CA -0.080 56.027 56.100 0.012 0.000 1.088 73 R CB 1.493 31.797 30.300 0.008 0.000 1.063 73 R HN -0.596 7.659 8.270 -0.001 0.015 0.511 74 M N 2.018 121.635 119.600 0.030 0.000 2.324 74 M HA 0.531 5.174 4.480 -0.011 -0.170 0.288 74 M C -2.006 174.337 176.300 0.071 0.000 1.097 74 M CA -0.286 55.034 55.300 0.033 0.000 0.928 74 M CB 3.477 36.122 32.600 0.074 0.000 1.648 74 M HN 0.168 8.482 8.290 0.041 0.000 0.460 75 T N 6.250 120.817 114.554 0.020 0.000 3.105 75 T HA 0.420 4.908 4.350 0.230 0.000 0.321 75 T C -2.059 172.656 174.700 0.024 0.000 1.135 75 T CA -0.800 61.367 62.100 0.111 0.000 1.053 75 T CB 2.075 71.003 68.868 0.099 0.000 1.133 75 T HN 0.366 8.558 8.240 -0.080 0.000 0.463 76 H N 9.178 128.322 119.070 0.123 0.000 2.541 76 H HA 0.803 5.607 4.556 0.141 -0.163 0.316 76 H C -0.053 175.383 175.328 0.179 0.000 1.043 76 H CA -1.000 55.129 56.048 0.134 0.000 1.232 76 H CB 1.246 31.064 29.762 0.094 0.000 1.406 76 H HN -0.022 8.526 8.280 0.448 0.000 0.469 77 C N 1.186 120.648 119.300 0.270 0.000 2.710 77 C HA 0.311 4.965 4.460 0.322 0.000 0.367 77 C C -1.937 173.203 174.990 0.251 0.000 1.315 77 C CA -2.831 56.353 59.018 0.276 0.000 1.764 77 C CB 4.154 32.029 27.740 0.225 0.000 2.182 77 C HN -0.269 8.097 8.230 0.227 0.000 0.491 78 G N -2.349 106.584 108.800 0.221 0.000 2.617 78 G HA2 0.433 4.495 3.960 0.171 0.000 0.306 78 G HA3 0.433 4.468 3.960 0.126 0.000 0.306 78 G C -2.794 172.203 174.900 0.162 0.000 1.360 78 G CA -1.086 44.118 45.100 0.173 0.000 0.983 78 G HN -0.134 8.294 8.290 0.231 0.000 0.496 79 V N 3.326 123.348 119.914 0.180 0.000 2.811 79 V HA -0.248 3.861 4.120 -0.019 0.000 0.302 79 V C -1.902 174.159 176.094 -0.054 0.000 1.063 79 V CA 1.849 64.159 62.300 0.016 0.000 1.088 79 V CB 1.260 33.047 31.823 -0.060 0.000 0.982 79 V HN -0.295 8.036 8.190 0.235 0.000 0.485 80 L N 6.654 127.787 121.223 -0.151 0.000 2.675 80 L HA 0.394 4.725 4.340 -0.015 0.000 0.178 80 L C -0.173 176.597 176.870 -0.167 0.000 1.135 80 L CA 0.524 55.310 54.840 -0.090 0.000 0.855 80 L CB 2.697 44.736 42.059 -0.034 0.000 1.235 80 L HN 0.002 8.110 8.230 -0.203 0.000 0.499 81 E N -1.384 118.692 120.200 -0.206 0.000 2.183 81 E HA 0.238 4.544 4.350 -0.074 0.000 0.271 81 E C -1.687 174.757 176.600 -0.261 0.000 0.919 81 E CA -1.280 55.031 56.400 -0.148 0.000 0.781 81 E CB 2.066 31.738 29.700 -0.046 0.000 1.140 81 E HN -0.733 7.516 8.360 -0.184 0.000 0.402 82 F N 3.330 123.288 119.950 0.013 0.000 2.441 82 F HA 0.250 4.932 4.527 -0.015 -0.164 0.337 82 F C -0.416 175.382 175.800 -0.003 0.000 1.182 82 F CA -1.271 56.726 58.000 -0.005 0.000 1.279 82 F CB -0.214 38.779 39.000 -0.012 0.000 1.614 82 F HN 0.480 8.882 8.300 0.170 0.000 0.574 83 V N -1.384 118.601 119.914 0.119 0.000 2.666 83 V HA 0.303 4.483 4.120 0.101 0.000 0.261 83 V C -1.814 174.341 176.094 0.102 0.000 0.892 83 V CA -1.369 60.990 62.300 0.098 0.000 0.937 83 V CB 0.854 32.723 31.823 0.075 0.000 1.063 83 V HN -0.752 7.473 8.190 0.059 0.000 0.494 84 A N 3.306 126.170 122.820 0.073 0.000 2.483 84 A HA 0.487 4.925 4.320 0.197 0.000 0.286 84 A C -1.445 176.125 177.584 -0.023 0.000 1.207 84 A CA -1.520 50.541 52.037 0.041 0.000 0.764 84 A CB 2.988 21.915 19.000 -0.122 0.000 1.341 84 A HN -0.466 7.721 8.150 0.063 0.000 0.428 85 D N -0.899 119.435 120.400 -0.110 0.000 2.348 85 D HA 0.070 4.698 4.640 -0.020 0.000 0.249 85 D C -0.876 175.375 176.300 -0.081 0.000 1.110 85 D CA -0.433 53.521 54.000 -0.077 0.000 0.967 85 D CB 2.716 43.468 40.800 -0.080 0.000 1.139 85 D HN 0.216 8.436 8.370 -0.250 0.000 0.466 86 E N -0.027 120.161 120.200 -0.020 0.000 2.344 86 E HA -0.166 4.221 4.350 0.062 0.000 0.270 86 E C 0.707 177.331 176.600 0.040 0.000 1.021 86 E CA 1.617 58.036 56.400 0.031 0.000 0.887 86 E CB 0.042 29.764 29.700 0.037 0.000 0.997 86 E HN 0.220 8.573 8.360 -0.012 0.000 0.429 87 G N 3.239 112.114 108.800 0.125 0.000 2.225 87 G HA2 -0.380 3.708 3.960 0.214 0.000 0.267 87 G HA3 -0.380 3.628 3.960 0.080 0.000 0.267 87 G C -0.940 174.024 174.900 0.106 0.000 1.024 87 G CA 0.454 45.636 45.100 0.135 0.000 0.784 87 G HN 0.630 9.049 8.290 0.214 0.000 0.507 88 I N -2.584 117.992 120.570 0.010 0.000 2.714 88 I HA 0.150 4.393 4.170 0.122 0.000 0.274 88 I C -1.588 174.304 176.117 -0.375 0.000 1.261 88 I CA -1.451 59.784 61.300 -0.108 0.000 1.008 88 I CB 0.560 38.389 38.000 -0.285 0.000 1.289 88 I HN -0.829 7.341 8.210 -0.014 0.032 0.529 89 C N 5.033 124.217 119.300 -0.193 0.000 2.585 89 C HA -0.074 4.137 4.460 -0.416 0.000 0.406 89 C C -1.017 173.852 174.990 -0.202 0.000 1.312 89 C CA 0.180 59.020 59.018 -0.296 0.000 1.924 89 C CB 1.302 28.895 27.740 -0.245 0.000 2.578 89 C HN 0.191 8.421 8.230 0.001 0.000 0.580 90 Y N 4.289 124.572 120.300 -0.028 0.000 2.327 90 Y HA 0.031 4.734 4.550 0.048 -0.125 0.336 90 Y C -1.138 174.732 175.900 -0.050 0.000 1.035 90 Y CA -0.737 57.356 58.100 -0.011 0.000 1.165 90 Y CB -0.020 38.423 38.460 -0.030 0.000 1.181 90 Y HN -0.096 8.048 8.280 -0.227 0.000 0.494 91 L N 2.825 124.116 121.223 0.113 0.000 2.350 91 L HA 0.481 4.813 4.340 -0.013 0.000 0.260 91 L C -2.532 174.308 176.870 -0.049 0.000 1.015 91 L CA -2.530 52.301 54.840 -0.016 0.000 0.821 91 L CB 2.148 44.150 42.059 -0.096 0.000 1.370 91 L HN 0.543 8.872 8.230 0.164 0.000 0.416 92 P HA -0.033 4.415 4.420 0.047 0.000 0.276 92 P C -0.614 176.635 177.300 -0.086 0.000 1.264 92 P CA -0.045 63.011 63.100 -0.073 0.000 0.815 92 P CB 0.804 32.430 31.700 -0.124 0.000 1.121 93 H N -1.726 117.316 119.070 -0.046 0.000 2.516 93 H HA 0.047 4.579 4.556 -0.041 0.000 0.284 93 H C 1.782 177.112 175.328 0.004 0.000 0.999 93 H CA 1.659 57.704 56.048 -0.004 0.000 1.303 93 H CB 0.847 30.658 29.762 0.082 0.000 1.452 93 H HN 0.350 8.793 8.280 0.272 0.000 0.530 94 W N -2.772 118.626 121.300 0.163 0.000 2.374 94 W HA -0.306 4.372 4.660 0.030 0.000 0.288 94 W C 1.124 177.705 176.519 0.103 0.000 1.218 94 W CA 2.640 60.043 57.345 0.096 0.000 1.245 94 W CB -1.418 28.119 29.460 0.128 0.000 1.126 94 W HN -0.029 8.396 8.180 0.408 0.000 0.545 95 M N 0.611 119.691 119.600 -0.867 0.000 2.254 95 M HA -0.268 3.832 4.480 -0.634 0.000 0.265 95 M C 1.418 177.552 176.300 -0.277 0.000 1.066 95 M CA 3.496 58.325 55.300 -0.786 0.000 1.123 95 M CB 0.065 32.018 32.600 -1.078 0.000 1.388 95 M HN -0.368 7.092 8.290 -1.352 0.019 0.425 96 M N -1.273 118.232 119.600 -0.157 0.000 2.123 96 M HA -0.332 4.101 4.480 -0.078 0.000 0.263 96 M C 2.358 178.664 176.300 0.010 0.000 1.069 96 M CA 3.725 59.002 55.300 -0.038 0.000 1.133 96 M CB -0.457 32.174 32.600 0.053 0.000 1.356 96 M HN -0.373 7.692 8.290 -0.168 0.124 0.415 97 Q N -2.879 116.948 119.800 0.044 0.000 2.084 97 Q HA -0.306 4.051 4.340 0.027 0.000 0.202 97 Q C 2.236 178.257 176.000 0.035 0.000 0.978 97 Q CA 2.864 58.684 55.803 0.029 0.000 0.844 97 Q CB -0.471 28.263 28.738 -0.006 0.000 0.898 97 Q HN -0.214 8.096 8.270 0.067 0.000 0.426 98 N N -1.437 117.298 118.700 0.058 0.000 2.120 98 N HA -0.184 4.602 4.740 0.077 0.000 0.188 98 N C 1.129 176.659 175.510 0.034 0.000 1.024 98 N CA 2.473 55.567 53.050 0.074 0.000 0.852 98 N CB 0.267 38.841 38.487 0.144 0.000 1.003 98 N HN -0.464 7.957 8.380 0.068 0.000 0.424 99 L N -3.398 117.827 121.223 0.002 0.000 2.418 99 L HA -0.143 4.196 4.340 -0.002 0.000 0.218 99 L C 0.468 177.330 176.870 -0.013 0.000 1.125 99 L CA 0.723 55.555 54.840 -0.013 0.000 0.835 99 L CB 0.654 42.688 42.059 -0.042 0.000 0.953 99 L HN -0.718 7.503 8.230 -0.015 0.000 0.454 100 L N -4.020 117.199 121.223 -0.007 0.000 3.865 100 L HA -0.402 3.950 4.340 0.002 -0.011 0.408 100 L C -0.476 176.381 176.870 -0.021 0.000 1.209 100 L CA 0.477 55.313 54.840 -0.006 0.000 0.940 100 L CB -2.387 39.671 42.059 -0.002 0.000 1.971 100 L HN -0.225 7.763 8.230 -0.001 0.242 0.899 101 L N -3.269 117.933 121.223 -0.035 0.000 2.543 101 L HA -0.016 4.291 4.340 -0.055 0.000 0.231 101 L C -0.617 176.212 176.870 -0.069 0.000 1.194 101 L CA 0.105 54.910 54.840 -0.059 0.000 0.823 101 L CB 1.191 43.202 42.059 -0.081 0.000 1.374 101 L HN -0.858 7.335 8.230 -0.034 0.018 0.507 102 E N -2.821 117.315 120.200 -0.107 0.000 2.378 102 E HA 0.261 4.555 4.350 -0.093 0.000 0.265 102 E C -1.865 174.584 176.600 -0.252 0.000 0.932 102 E CA -2.149 54.174 56.400 -0.129 0.000 0.795 102 E CB 3.144 32.785 29.700 -0.098 0.000 1.296 102 E HN 0.057 8.345 8.360 -0.119 0.000 0.438 103 E N -0.028 120.000 120.200 -0.285 0.000 2.383 103 E HA -0.443 3.422 4.350 -0.807 0.000 0.257 103 E C 0.633 176.716 176.600 -0.862 0.000 1.079 103 E CA 0.722 56.751 56.400 -0.619 0.000 0.934 103 E CB -0.867 28.690 29.700 -0.237 0.000 0.978 103 E HN 0.273 8.531 8.360 -0.170 0.000 0.462 104 G N 4.535 112.518 108.800 -1.363 0.000 2.203 104 G HA2 -0.359 3.220 3.960 -0.634 0.000 0.231 104 G HA3 -0.359 3.354 3.960 -0.411 0.000 0.231 104 G C -0.854 173.870 174.900 -0.294 0.000 1.058 104 G CA -0.287 44.390 45.100 -0.706 0.000 0.781 104 G HN 0.661 7.993 8.290 -1.598 0.000 0.496 105 G N -1.505 107.125 108.800 -0.283 0.000 2.325 105 G HA2 0.278 4.161 3.960 -0.128 0.000 0.298 105 G HA3 0.278 4.148 3.960 -0.150 0.000 0.298 105 G C -1.266 173.573 174.900 -0.102 0.000 1.134 105 G CA -1.327 43.679 45.100 -0.156 0.000 0.876 105 G HN -0.564 7.498 8.290 -0.380 0.000 0.452 106 L N 5.987 127.166 121.223 -0.074 0.000 2.360 106 L HA 0.296 4.752 4.340 -0.040 -0.140 0.276 106 L C -0.090 176.747 176.870 -0.055 0.000 1.121 106 L CA 0.121 54.927 54.840 -0.057 0.000 0.845 106 L CB 0.699 42.718 42.059 -0.065 0.000 1.143 106 L HN 0.320 8.505 8.230 -0.074 0.000 0.452 107 V N 2.648 122.537 119.914 -0.041 0.000 2.709 107 V HA 0.191 4.283 4.120 -0.046 0.000 0.308 107 V C -0.993 175.079 176.094 -0.036 0.000 1.062 107 V CA -2.079 60.197 62.300 -0.040 0.000 0.901 107 V CB 3.001 34.801 31.823 -0.038 0.000 1.003 107 V HN -0.107 8.069 8.190 -0.023 0.000 0.425 108 Q N 6.080 125.854 119.800 -0.043 0.000 2.255 108 Q HA -0.037 4.263 4.340 -0.067 0.000 0.280 108 Q C -1.323 174.666 176.000 -0.018 0.000 1.068 108 Q CA 0.579 56.355 55.803 -0.045 0.000 0.911 108 Q CB -0.277 28.436 28.738 -0.041 0.000 1.157 108 Q HN 0.288 8.533 8.270 -0.043 0.000 0.380 109 V N 5.376 125.287 119.914 -0.006 0.000 2.555 109 V HA 0.316 4.651 4.120 0.082 -0.166 0.302 109 V C -1.052 175.114 176.094 0.120 0.000 1.038 109 V CA -1.387 60.957 62.300 0.073 0.000 0.887 109 V CB 2.310 34.190 31.823 0.096 0.000 0.991 109 V HN 0.329 8.381 8.190 -0.050 0.109 0.434 110 E N 4.661 124.998 120.200 0.228 0.000 2.275 110 E HA 0.554 5.210 4.350 0.211 -0.180 0.270 110 E C -0.827 175.973 176.600 0.333 0.000 0.882 110 E CA -1.875 54.665 56.400 0.233 0.000 0.758 110 E CB 4.474 34.246 29.700 0.122 0.000 1.195 110 E HN 0.404 8.989 8.360 0.242 -0.080 0.419 111 S N 5.688 121.588 115.700 0.334 0.000 2.498 111 S HA 0.157 4.770 4.470 -0.029 -0.161 0.314 111 S C 0.001 174.639 174.600 0.064 0.000 1.141 111 S CA 0.326 58.612 58.200 0.142 0.000 1.087 111 S CB -0.315 62.990 63.200 0.176 0.000 1.178 111 S HN 0.192 8.708 8.310 0.344 0.000 0.533 112 V N -0.364 119.574 119.914 0.040 0.000 2.630 112 V HA 0.209 4.361 4.120 0.053 0.000 0.305 112 V C -1.395 174.699 176.094 -0.000 0.000 1.046 112 V CA -1.988 60.344 62.300 0.053 0.000 0.934 112 V CB 2.114 34.011 31.823 0.124 0.000 1.003 112 V HN -0.663 7.546 8.190 0.030 0.000 0.451 113 N N 4.888 123.586 118.700 -0.004 0.000 2.469 113 N HA 0.160 4.863 4.740 -0.061 0.000 0.253 113 N C -1.185 174.308 175.510 -0.029 0.000 0.970 113 N CA -0.297 52.733 53.050 -0.033 0.000 0.940 113 N CB 0.863 39.333 38.487 -0.029 0.000 1.128 113 N HN 0.155 8.543 8.380 0.013 0.000 0.503 114 L N 2.626 123.822 121.223 -0.044 0.000 2.347 114 L HA 0.273 4.588 4.340 -0.042 0.000 0.268 114 L C -0.965 175.874 176.870 -0.051 0.000 1.019 114 L CA -0.834 53.977 54.840 -0.050 0.000 0.806 114 L CB 0.968 42.986 42.059 -0.069 0.000 1.339 114 L HN 0.304 8.501 8.230 -0.056 0.000 0.463 115 Q N -0.618 119.155 119.800 -0.046 0.000 2.552 115 Q HA 0.240 4.556 4.340 -0.040 0.000 0.289 115 Q C -1.284 174.696 176.000 -0.033 0.000 1.097 115 Q CA -1.637 54.144 55.803 -0.036 0.000 0.812 115 Q CB 2.375 31.098 28.738 -0.025 0.000 1.460 115 Q HN 0.173 8.413 8.270 -0.049 0.000 0.452 116 V N -3.554 116.347 119.914 -0.022 0.000 3.332 116 V HA -0.010 4.199 4.120 -0.015 -0.098 0.305 116 V C -1.002 175.085 176.094 -0.012 0.000 1.114 116 V CA 0.116 62.408 62.300 -0.014 0.000 1.194 116 V CB 0.312 32.132 31.823 -0.004 0.000 1.027 116 V HN 0.178 8.356 8.190 -0.020 0.000 0.492 117 A N 0.548 123.363 122.820 -0.008 0.000 2.312 117 A HA 0.341 4.808 4.320 -0.005 -0.150 0.328 117 A C -0.647 176.946 177.584 0.015 0.000 1.158 117 A CA -1.199 50.836 52.037 -0.004 0.000 0.821 117 A CB 2.388 21.376 19.000 -0.020 0.000 1.170 117 A HN 0.111 8.257 8.150 -0.006 0.000 0.490 118 T N -2.970 111.607 114.554 0.038 0.000 3.034 118 T HA 0.098 4.475 4.350 0.046 0.000 0.248 118 T C -0.448 174.330 174.700 0.130 0.000 1.040 118 T CA 0.083 62.222 62.100 0.065 0.000 1.107 118 T CB 1.715 70.619 68.868 0.060 0.000 0.932 118 T HN -0.170 8.094 8.240 0.041 0.000 0.474 119 Y N 2.720 123.007 120.300 -0.023 0.000 2.315 119 Y HA 0.574 5.298 4.550 -0.015 -0.183 0.324 119 Y C -2.715 173.162 175.900 -0.038 0.000 1.062 119 Y CA -1.568 56.518 58.100 -0.024 0.000 1.159 119 Y CB 2.288 40.733 38.460 -0.025 0.000 1.145 119 Y HN -0.738 7.625 8.280 0.139 0.000 0.442 120 S N 7.850 123.287 115.700 -0.438 0.000 2.552 120 S HA 0.437 4.831 4.470 -0.338 -0.127 0.314 120 S C -1.311 172.998 174.600 -0.485 0.000 1.099 120 S CA -1.108 56.870 58.200 -0.371 0.000 1.070 120 S CB 1.858 64.989 63.200 -0.115 0.000 0.998 120 S HN 0.132 8.189 8.310 -0.422 0.000 0.474 121 K N 5.673 125.760 120.400 -0.521 0.000 2.159 121 K HA 0.285 4.551 4.320 -0.329 -0.143 0.266 121 K C -1.595 174.761 176.600 -0.406 0.000 0.975 121 K CA -1.208 54.859 56.287 -0.366 0.000 0.865 121 K CB 2.584 34.957 32.500 -0.211 0.000 1.087 121 K HN 0.921 8.777 8.250 -0.458 0.119 0.446 122 F N 2.602 122.366 119.950 -0.310 0.000 2.561 122 F HA 0.225 4.631 4.527 -0.201 0.000 0.321 122 F C -1.995 173.756 175.800 -0.081 0.000 1.065 122 F CA -1.076 56.786 58.000 -0.230 0.000 0.934 122 F CB 4.148 42.959 39.000 -0.315 0.000 1.215 122 F HN -0.160 8.135 8.300 -0.009 0.000 0.471 123 Q N 0.466 120.332 119.800 0.110 0.000 2.695 123 Q HA 0.503 4.959 4.340 0.193 0.000 0.246 123 Q C -2.407 173.652 176.000 0.100 0.000 0.961 123 Q CA -3.161 52.714 55.803 0.120 0.000 0.708 123 Q CB 3.245 32.018 28.738 0.058 0.000 1.282 123 Q HN 0.775 9.076 8.270 0.052 0.000 0.482 124 P HA -0.162 4.257 4.420 -0.003 0.000 0.256 124 P C -0.529 176.828 177.300 0.095 0.000 1.173 124 P CA 0.568 63.728 63.100 0.100 0.000 0.768 124 P CB 0.092 31.936 31.700 0.241 0.000 0.758 125 Q N 4.208 124.044 119.800 0.060 0.000 2.172 125 Q HA -0.114 4.257 4.340 0.052 0.000 0.200 125 Q C 0.675 176.715 176.000 0.067 0.000 0.964 125 Q CA 1.270 57.105 55.803 0.055 0.000 0.855 125 Q CB 0.643 29.403 28.738 0.036 0.000 0.918 125 Q HN -0.011 8.280 8.270 0.034 0.000 0.444 126 S N -0.783 114.972 115.700 0.091 0.000 2.565 126 S HA 0.452 4.959 4.470 0.061 0.000 0.290 126 S C -0.687 173.998 174.600 0.142 0.000 1.150 126 S CA -3.681 54.574 58.200 0.091 0.000 1.058 126 S CB 1.235 64.472 63.200 0.061 0.000 1.032 126 S HN -0.739 7.633 8.310 0.104 0.000 0.510 127 P HA 0.004 4.495 4.420 0.119 0.000 0.229 127 P C 0.583 177.972 177.300 0.148 0.000 1.160 127 P CA 1.137 64.304 63.100 0.111 0.000 0.777 127 P CB 0.392 32.131 31.700 0.064 0.000 0.814 128 D N -0.915 119.580 120.400 0.160 0.000 2.123 128 D HA -0.324 4.409 4.640 0.153 0.000 0.196 128 D C 1.759 178.337 176.300 0.464 0.000 0.992 128 D CA 3.971 58.105 54.000 0.222 0.000 0.833 128 D CB 0.039 40.840 40.800 0.003 0.000 0.954 128 D HN -0.437 7.952 8.370 0.111 0.047 0.455 129 F N -0.937 119.260 119.950 0.411 0.000 2.113 129 F HA -0.313 4.373 4.527 0.265 0.000 0.297 129 F C 2.004 177.874 175.800 0.117 0.000 1.103 129 F CA 3.214 61.398 58.000 0.306 0.000 1.248 129 F CB 0.348 39.522 39.000 0.291 0.000 0.999 129 F HN -0.901 7.766 8.300 0.611 0.000 0.475 130 L N -2.320 119.062 121.223 0.266 0.000 2.127 130 L HA -0.403 3.976 4.340 0.066 0.000 0.211 130 L C 1.346 178.211 176.870 -0.007 0.000 1.089 130 L CA 2.440 57.338 54.840 0.096 0.000 0.757 130 L CB -0.658 41.464 42.059 0.104 0.000 0.899 130 L HN -0.743 7.693 8.230 0.343 0.000 0.434 131 D N -3.682 116.735 120.400 0.028 0.000 2.219 131 D HA -0.157 4.476 4.640 -0.011 0.000 0.205 131 D C 0.289 176.554 176.300 -0.058 0.000 0.970 131 D CA 1.704 55.703 54.000 -0.002 0.000 0.851 131 D CB 0.446 41.270 40.800 0.039 0.000 0.943 131 D HN -0.423 7.885 8.370 0.095 0.118 0.488 132 I N -1.769 118.726 120.570 -0.125 0.000 2.775 132 I HA -0.173 3.915 4.170 -0.137 0.000 0.290 132 I C 0.833 176.828 176.117 -0.203 0.000 1.203 132 I CA 0.408 61.582 61.300 -0.209 0.000 1.433 132 I CB 0.401 38.138 38.000 -0.439 0.000 1.354 132 I HN -0.533 7.447 8.210 -0.120 0.158 0.579 133 T N 4.396 118.858 114.554 -0.154 0.000 2.867 133 T HA -0.140 4.136 4.350 -0.124 0.000 0.268 133 T C 0.242 174.846 174.700 -0.159 0.000 1.057 133 T CA 2.014 64.034 62.100 -0.132 0.000 1.136 133 T CB 0.125 68.938 68.868 -0.092 0.000 0.874 133 T HN 0.171 8.333 8.240 -0.131 0.000 0.466 134 N N 0.051 118.638 118.700 -0.189 0.000 2.841 134 N HA 0.397 5.045 4.740 -0.153 0.000 0.257 134 N C -1.588 173.768 175.510 -0.257 0.000 1.396 134 N CA -2.198 50.744 53.050 -0.180 0.000 0.823 134 N CB 0.548 38.956 38.487 -0.132 0.000 1.162 134 N HN -0.268 7.973 8.380 -0.202 0.018 0.503 135 P HA -0.081 3.826 4.420 -0.856 0.000 0.222 135 P C 1.106 178.458 177.300 0.086 0.000 1.153 135 P CA 1.652 64.546 63.100 -0.342 0.000 0.798 135 P CB 0.644 32.194 31.700 -0.250 0.000 0.796 136 K N -0.735 119.755 120.400 0.149 0.000 2.057 136 K HA -0.239 4.226 4.320 0.242 0.000 0.206 136 K C 1.932 178.529 176.600 -0.004 0.000 1.050 136 K CA 3.698 60.083 56.287 0.164 0.000 0.935 136 K CB -0.603 31.991 32.500 0.156 0.000 0.715 136 K HN 0.123 8.376 8.250 0.049 0.027 0.439 137 A N -2.296 120.489 122.820 -0.059 0.000 1.933 137 A HA -0.130 4.142 4.320 -0.081 0.000 0.218 137 A C 2.295 179.787 177.584 -0.154 0.000 1.175 137 A CA 2.873 54.850 52.037 -0.101 0.000 0.628 137 A CB -0.897 18.038 19.000 -0.108 0.000 0.814 137 A HN -0.000 8.112 8.150 -0.063 0.000 0.444 138 V N -1.136 118.653 119.914 -0.208 0.000 2.379 138 V HA -0.386 3.466 4.120 -0.446 0.000 0.245 138 V C 1.752 177.768 176.094 -0.129 0.000 1.044 138 V CA 4.273 66.380 62.300 -0.321 0.000 1.036 138 V CB -0.014 31.496 31.823 -0.522 0.000 0.664 138 V HN -0.743 7.322 8.190 -0.207 0.000 0.453 139 L N -0.945 120.309 121.223 0.051 0.000 2.156 139 L HA -0.276 3.993 4.340 -0.119 0.000 0.208 139 L C 1.685 178.426 176.870 -0.215 0.000 1.095 139 L CA 3.521 58.301 54.840 -0.100 0.000 0.770 139 L CB -0.006 41.929 42.059 -0.206 0.000 0.914 139 L HN 0.110 8.407 8.230 0.112 0.000 0.439 140 E N -1.344 118.759 120.200 -0.162 0.000 2.158 140 E HA -0.305 3.944 4.350 -0.168 0.000 0.191 140 E C 2.572 179.114 176.600 -0.096 0.000 0.982 140 E CA 3.195 59.512 56.400 -0.138 0.000 0.823 140 E CB -0.441 29.195 29.700 -0.106 0.000 0.766 140 E HN 0.409 8.591 8.360 -0.121 0.105 0.468 141 N N -1.386 117.250 118.700 -0.107 0.000 2.300 141 N HA -0.198 4.503 4.740 -0.065 0.000 0.179 141 N C 0.877 176.352 175.510 -0.060 0.000 1.016 141 N CA 2.385 55.380 53.050 -0.091 0.000 0.876 141 N CB 0.372 38.779 38.487 -0.135 0.000 0.979 141 N HN -0.318 7.872 8.380 -0.132 0.111 0.432 142 A N -1.398 121.386 122.820 -0.059 0.000 1.984 142 A HA -0.010 4.325 4.320 0.026 0.000 0.214 142 A C 1.645 179.318 177.584 0.148 0.000 1.173 142 A CA 2.008 54.064 52.037 0.032 0.000 0.673 142 A CB 0.461 19.490 19.000 0.049 0.000 0.830 142 A HN -0.610 7.460 8.150 -0.100 0.020 0.453 143 L N -2.504 118.761 121.223 0.070 0.000 2.187 143 L HA -0.367 4.146 4.340 0.289 0.000 0.213 143 L C 0.754 177.712 176.870 0.147 0.000 1.100 143 L CA 2.191 57.103 54.840 0.121 0.000 0.765 143 L CB -0.229 41.785 42.059 -0.074 0.000 0.904 143 L HN -0.192 8.012 8.230 -0.043 0.000 0.437 144 R N -5.218 115.321 120.500 0.065 0.000 2.159 144 R HA -0.257 4.109 4.340 0.043 0.000 0.237 144 R C 1.216 177.546 176.300 0.050 0.000 1.131 144 R CA 2.081 58.208 56.100 0.044 0.000 0.982 144 R CB -0.274 30.034 30.300 0.013 0.000 0.868 144 R HN -0.639 7.618 8.270 0.030 0.031 0.453 145 N N -2.829 115.893 118.700 0.037 0.000 2.250 145 N HA -0.037 4.683 4.740 -0.033 0.000 0.181 145 N C -0.296 175.165 175.510 -0.082 0.000 1.017 145 N CA 1.151 54.167 53.050 -0.056 0.000 0.866 145 N CB 0.611 39.003 38.487 -0.158 0.000 0.985 145 N HN -0.416 7.858 8.380 0.064 0.144 0.429 146 F N -2.854 117.086 119.950 -0.016 0.000 2.518 146 F HA -0.183 4.353 4.527 0.015 0.000 0.359 146 F C -0.525 175.291 175.800 0.027 0.000 1.118 146 F CA 1.338 59.336 58.000 -0.003 0.000 1.287 146 F CB 0.750 39.726 39.000 -0.040 0.000 1.132 146 F HN -1.014 7.358 8.300 0.277 0.094 0.587 147 A N 0.169 123.126 122.820 0.228 0.000 2.127 147 A HA 0.070 4.462 4.320 0.120 0.000 0.204 147 A C -0.720 176.946 177.584 0.137 0.000 1.243 147 A CA -0.107 52.019 52.037 0.147 0.000 0.887 147 A CB 1.579 20.648 19.000 0.116 0.000 0.933 147 A HN 0.413 8.718 8.150 0.259 0.000 0.479 148 C N -2.255 117.165 119.300 0.200 0.000 2.994 148 C HA 0.713 5.392 4.460 0.090 -0.166 0.304 148 C C -1.920 173.161 174.990 0.151 0.000 1.273 148 C CA -2.149 56.962 59.018 0.155 0.000 1.537 148 C CB 2.438 30.286 27.740 0.180 0.000 2.001 148 C HN -0.622 7.781 8.230 0.289 0.000 0.471 149 L N 2.392 123.653 121.223 0.062 0.000 2.513 149 L HA 0.445 4.793 4.340 0.013 0.000 0.261 149 L C -2.168 174.679 176.870 -0.039 0.000 0.945 149 L CA -0.370 54.462 54.840 -0.014 0.000 0.848 149 L CB 4.464 46.460 42.059 -0.106 0.000 1.334 149 L HN 0.246 8.497 8.230 0.036 0.000 0.407 150 T N 1.949 116.489 114.554 -0.023 0.000 2.930 150 T HA 0.502 5.054 4.350 -0.068 -0.243 0.290 150 T C -0.271 174.382 174.700 -0.078 0.000 1.052 150 T CA -1.709 60.380 62.100 -0.018 0.000 1.017 150 T CB 2.302 71.249 68.868 0.131 0.000 1.137 150 T HN -0.061 8.170 8.240 -0.015 0.000 0.511 151 T N 4.977 119.490 114.554 -0.069 0.000 2.775 151 T HA -0.101 4.162 4.350 -0.147 0.000 0.281 151 T C 0.690 175.358 174.700 -0.055 0.000 0.908 151 T CA 1.928 63.975 62.100 -0.087 0.000 1.123 151 T CB -0.230 68.602 68.868 -0.062 0.000 0.879 151 T HN 0.012 8.223 8.240 -0.049 0.000 0.547 152 G N 6.935 115.685 108.800 -0.083 0.000 2.215 152 G HA2 -0.320 3.746 3.960 -0.059 0.000 0.198 152 G HA3 -0.320 3.628 3.960 -0.021 0.000 0.198 152 G C -1.942 172.953 174.900 -0.009 0.000 1.047 152 G CA -0.239 44.835 45.100 -0.044 0.000 0.747 152 G HN -0.306 7.897 8.290 -0.144 0.000 0.495 153 D N 0.274 120.659 120.400 -0.024 0.000 2.412 153 D HA 0.319 5.022 4.640 0.105 0.000 0.224 153 D C -0.877 175.449 176.300 0.045 0.000 1.093 153 D CA -1.867 52.167 54.000 0.058 0.000 0.850 153 D CB 1.613 42.470 40.800 0.096 0.000 1.046 153 D HN -0.731 7.584 8.370 -0.092 0.000 0.507 154 V N 5.868 125.845 119.914 0.106 0.000 2.356 154 V HA -0.212 4.045 4.120 0.029 -0.120 0.244 154 V C -0.225 175.967 176.094 0.163 0.000 1.120 154 V CA 0.313 62.672 62.300 0.098 0.000 1.181 154 V CB -2.065 29.823 31.823 0.109 0.000 1.244 154 V HN 0.409 8.828 8.190 0.125 -0.154 0.487 155 I N 0.143 120.700 120.570 -0.023 0.000 2.365 155 I HA 0.310 4.367 4.170 -0.188 0.000 0.291 155 I C -1.758 174.289 176.117 -0.116 0.000 1.004 155 I CA -1.310 59.856 61.300 -0.222 0.000 1.311 155 I CB 1.043 38.650 38.000 -0.654 0.000 1.401 155 I HN 0.256 8.396 8.210 -0.089 0.017 0.491 156 A N 6.029 128.815 122.820 -0.057 0.000 2.312 156 A HA 0.626 5.134 4.320 0.058 -0.153 0.326 156 A C -0.881 176.751 177.584 0.080 0.000 1.172 156 A CA -1.649 50.419 52.037 0.052 0.000 0.821 156 A CB 1.669 20.748 19.000 0.133 0.000 1.166 156 A HN 0.310 8.368 8.150 -0.154 0.000 0.493 157 I N -4.113 116.552 120.570 0.159 0.000 2.785 157 I HA 0.398 4.671 4.170 0.171 0.000 0.302 157 I C -2.546 173.762 176.117 0.320 0.000 1.069 157 I CA -1.545 59.889 61.300 0.224 0.000 1.045 157 I CB 3.901 42.036 38.000 0.224 0.000 1.236 157 I HN 0.180 8.498 8.210 0.180 0.000 0.429 158 N N 2.284 121.170 118.700 0.311 0.000 2.287 158 N HA 0.619 5.784 4.740 0.303 -0.242 0.289 158 N C -1.231 174.488 175.510 0.348 0.000 1.066 158 N CA -1.207 52.014 53.050 0.286 0.000 0.841 158 N CB 3.253 41.830 38.487 0.150 0.000 1.599 158 N HN 0.021 8.550 8.380 0.249 0.000 0.476 159 Y N 1.503 121.868 120.300 0.107 0.000 3.042 159 Y HA 0.185 4.763 4.550 0.046 0.000 0.230 159 Y C -0.561 175.376 175.900 0.062 0.000 1.107 159 Y CA 0.260 58.395 58.100 0.059 0.000 1.346 159 Y CB 0.168 38.644 38.460 0.026 0.000 1.421 159 Y HN -0.401 7.759 8.280 -0.199 0.000 0.438 160 N N 1.922 120.294 118.700 -0.548 0.000 2.575 160 N HA -0.035 4.652 4.740 -0.087 0.000 0.275 160 N C -0.528 174.882 175.510 -0.166 0.000 1.202 160 N CA -0.934 51.951 53.050 -0.276 0.000 0.945 160 N CB -1.595 36.702 38.487 -0.318 0.000 1.247 160 N HN 0.008 7.464 8.380 -1.539 0.000 0.510 161 E N -3.872 116.269 120.200 -0.098 0.000 2.637 161 E HA -0.363 3.975 4.350 -0.020 0.000 0.265 161 E C -1.544 175.023 176.600 -0.054 0.000 1.073 161 E CA 1.608 57.980 56.400 -0.047 0.000 0.778 161 E CB -1.451 28.231 29.700 -0.030 0.000 1.362 161 E HN -0.049 8.235 8.360 -0.076 0.031 0.413 162 K N -2.971 117.386 120.400 -0.071 0.000 2.525 162 K HA 0.219 4.498 4.320 -0.068 0.000 0.254 162 K C -1.944 174.677 176.600 0.034 0.000 0.934 162 K CA -1.437 54.815 56.287 -0.058 0.000 0.802 162 K CB 3.429 35.875 32.500 -0.090 0.000 1.295 162 K HN -0.689 7.598 8.250 -0.116 -0.107 0.433 163 I N 3.129 123.692 120.570 -0.010 0.000 2.291 163 I HA 0.349 4.848 4.170 0.180 -0.221 0.292 163 I C -0.176 175.966 176.117 0.041 0.000 1.064 163 I CA -0.797 60.550 61.300 0.078 0.000 1.269 163 I CB -0.243 37.787 38.000 0.049 0.000 1.418 163 I HN 0.285 8.454 8.210 -0.069 0.000 0.485 164 Y N 9.050 129.426 120.300 0.126 0.000 2.383 164 Y HA -0.034 4.597 4.550 0.136 0.000 0.344 164 Y C -0.384 175.549 175.900 0.056 0.000 0.986 164 Y CA -0.888 57.304 58.100 0.153 0.000 1.175 164 Y CB 0.843 39.516 38.460 0.355 0.000 1.152 164 Y HN 0.970 9.495 8.280 0.567 0.095 0.511 165 E N 4.786 125.058 120.200 0.120 0.000 2.290 165 E HA 0.079 4.463 4.350 0.057 0.000 0.277 165 E C -1.561 175.039 176.600 -0.000 0.000 1.035 165 E CA 0.109 56.543 56.400 0.056 0.000 0.873 165 E CB 0.471 30.195 29.700 0.041 0.000 1.029 165 E HN 0.595 9.003 8.360 0.082 0.000 0.419 166 L N 3.856 125.048 121.223 -0.052 0.000 2.409 166 L HA 0.307 4.589 4.340 -0.098 0.000 0.272 166 L C -2.474 174.359 176.870 -0.062 0.000 0.980 166 L CA -0.856 53.919 54.840 -0.108 0.000 0.826 166 L CB 3.965 45.877 42.059 -0.245 0.000 1.268 166 L HN 0.287 8.499 8.230 -0.031 0.000 0.407 167 R N 2.998 123.474 120.500 -0.040 0.000 2.534 167 R HA 0.388 4.878 4.340 -0.081 -0.199 0.301 167 R C -1.637 174.578 176.300 -0.142 0.000 0.961 167 R CA -2.269 53.791 56.100 -0.067 0.000 0.871 167 R CB 3.671 33.954 30.300 -0.028 0.000 1.170 167 R HN -0.230 8.027 8.270 -0.021 0.000 0.446 168 V N 6.863 126.612 119.914 -0.275 0.000 2.614 168 V HA -0.029 3.793 4.120 -0.672 -0.105 0.291 168 V C -0.443 175.487 176.094 -0.274 0.000 1.049 168 V CA 0.459 62.469 62.300 -0.482 0.000 1.038 168 V CB 0.014 31.458 31.823 -0.631 0.000 0.980 168 V HN -0.011 8.040 8.190 -0.232 0.000 0.481 169 M N 5.235 124.680 119.600 -0.258 0.000 2.718 169 M HA 0.102 4.524 4.480 -0.097 0.000 0.259 169 M C 0.155 176.384 176.300 -0.118 0.000 1.240 169 M CA 0.483 55.705 55.300 -0.131 0.000 1.210 169 M CB 1.055 33.614 32.600 -0.069 0.000 1.281 169 M HN 0.154 8.128 8.290 -0.349 0.106 0.515 170 E N -3.471 116.638 120.200 -0.152 0.000 2.383 170 E HA 0.170 4.478 4.350 -0.070 0.000 0.275 170 E C -2.118 174.397 176.600 -0.142 0.000 0.918 170 E CA -0.834 55.516 56.400 -0.085 0.000 0.764 170 E CB 3.673 33.394 29.700 0.035 0.000 1.252 170 E HN -0.632 7.594 8.360 -0.224 0.000 0.449 171 T N -0.464 114.046 114.554 -0.074 0.000 2.868 171 T HA 0.819 5.267 4.350 -0.113 -0.165 0.306 171 T C -0.788 173.914 174.700 0.004 0.000 1.224 171 T CA -1.766 60.285 62.100 -0.082 0.000 1.012 171 T CB 3.277 72.059 68.868 -0.143 0.000 1.221 171 T HN 0.150 8.369 8.240 -0.036 0.000 0.499 172 K N -0.591 119.822 120.400 0.022 0.000 2.477 172 K HA 0.539 4.870 4.320 0.017 0.000 0.255 172 K C -1.713 174.891 176.600 0.006 0.000 0.952 172 K CA -3.049 53.260 56.287 0.036 0.000 0.826 172 K CB 2.684 35.244 32.500 0.100 0.000 1.331 172 K HN -0.187 8.061 8.250 -0.002 0.000 0.437 173 P HA -0.024 4.400 4.420 0.007 0.000 0.221 173 P C -0.660 176.630 177.300 -0.017 0.000 1.155 173 P CA 1.074 64.171 63.100 -0.004 0.000 0.812 173 P CB 0.495 32.189 31.700 -0.009 0.000 0.801 174 D N -2.699 117.680 120.400 -0.035 0.000 2.494 174 D HA 0.114 4.733 4.640 -0.035 0.000 0.259 174 D C 0.374 176.632 176.300 -0.070 0.000 1.109 174 D CA -1.074 52.897 54.000 -0.049 0.000 1.040 174 D CB 2.179 42.944 40.800 -0.059 0.000 1.175 174 D HN -0.464 7.882 8.370 -0.040 0.000 0.584 175 K N -3.479 116.874 120.400 -0.079 0.000 2.026 175 K HA -0.302 3.973 4.320 -0.074 0.000 0.208 175 K C -0.193 176.314 176.600 -0.154 0.000 1.048 175 K CA 2.015 58.247 56.287 -0.092 0.000 0.929 175 K CB 0.296 32.761 32.500 -0.059 0.000 0.713 175 K HN 0.137 8.347 8.250 -0.066 0.000 0.439 176 A N -0.301 122.360 122.820 -0.265 0.000 2.290 176 A HA 0.647 5.007 4.320 -0.284 -0.211 0.310 176 A C -1.086 176.367 177.584 -0.220 0.000 1.202 176 A CA -1.557 50.248 52.037 -0.387 0.000 0.837 176 A CB 1.380 19.740 19.000 -1.067 0.000 1.139 176 A HN -0.590 7.407 8.150 -0.254 0.000 0.509 177 V N -3.420 116.412 119.914 -0.137 0.000 3.102 177 V HA 0.623 4.773 4.120 -0.084 -0.080 0.312 177 V C -1.803 174.265 176.094 -0.043 0.000 1.135 177 V CA -2.560 59.692 62.300 -0.080 0.000 1.022 177 V CB 3.815 35.601 31.823 -0.062 0.000 1.056 177 V HN 0.089 8.207 8.190 -0.120 0.000 0.436 178 S N 1.862 117.541 115.700 -0.035 0.000 2.516 178 S HA 0.481 5.098 4.470 -0.002 -0.149 0.268 178 S C -0.090 174.503 174.600 -0.010 0.000 1.251 178 S CA -1.910 56.276 58.200 -0.024 0.000 1.153 178 S CB 0.119 63.284 63.200 -0.058 0.000 1.009 178 S HN 0.355 8.514 8.310 -0.041 0.127 0.479 179 I N 4.264 124.844 120.570 0.016 0.000 2.270 179 I HA 0.116 4.294 4.170 0.013 0.000 0.300 179 I C -2.025 174.113 176.117 0.034 0.000 1.186 179 I CA 0.045 61.360 61.300 0.026 0.000 1.431 179 I CB -1.767 36.258 38.000 0.042 0.000 1.485 179 I HN -0.310 7.919 8.210 0.031 0.000 0.650 180 I N 6.669 127.251 120.570 0.020 0.000 2.557 180 I HA 0.186 4.387 4.170 0.051 0.000 0.277 180 I C -0.297 175.843 176.117 0.038 0.000 1.106 180 I CA -1.034 60.286 61.300 0.035 0.000 1.180 180 I CB -0.255 37.756 38.000 0.018 0.000 1.392 180 I HN -0.249 7.939 8.210 0.007 0.025 0.506 181 E N 4.857 125.080 120.200 0.038 0.000 3.783 181 E HA -0.292 4.074 4.350 0.027 0.000 0.154 181 E C -1.873 174.741 176.600 0.022 0.000 1.748 181 E CA 0.875 57.294 56.400 0.031 0.000 0.854 181 E CB -0.236 29.487 29.700 0.038 0.000 1.075 181 E HN 0.559 8.943 8.360 0.040 0.000 0.360 182 C N 1.438 120.748 119.300 0.016 0.000 3.314 182 C HA 0.223 4.691 4.460 0.012 0.000 0.344 182 C C -1.496 173.499 174.990 0.008 0.000 1.461 182 C CA -0.905 58.120 59.018 0.012 0.000 1.249 182 C CB 1.915 29.662 27.740 0.010 0.000 1.632 182 C HN -0.027 8.213 8.230 0.015 0.000 0.452 183 D N 2.483 122.887 120.400 0.007 0.000 2.453 183 D HA 0.313 4.954 4.640 0.001 0.000 0.238 183 D C -0.675 175.630 176.300 0.008 0.000 1.088 183 D CA -0.038 53.965 54.000 0.005 0.000 0.854 183 D CB 0.327 41.131 40.800 0.007 0.000 1.076 183 D HN -0.043 8.332 8.370 0.009 0.000 0.533 184 M N 1.165 120.767 119.600 0.003 0.000 2.775 184 M HA 0.290 4.783 4.480 0.023 0.000 0.296 184 M C -1.959 174.342 176.300 0.002 0.000 1.248 184 M CA -0.811 54.494 55.300 0.009 0.000 0.800 184 M CB 2.443 35.045 32.600 0.004 0.000 1.765 184 M HN 0.014 8.301 8.290 -0.004 0.000 0.472 185 N N 0.766 119.473 118.700 0.012 0.000 2.407 185 N HA 0.330 5.063 4.740 -0.011 0.000 0.277 185 N C -1.773 173.673 175.510 -0.105 0.000 0.995 185 N CA -0.074 52.976 53.050 0.001 0.000 0.903 185 N CB 2.003 40.544 38.487 0.091 0.000 1.218 185 N HN -0.063 8.337 8.380 0.034 0.000 0.487 186 V N 6.928 126.754 119.914 -0.148 0.000 2.383 186 V HA 0.415 4.584 4.120 -0.276 -0.215 0.275 186 V C -0.757 175.137 176.094 -0.334 0.000 1.036 186 V CA -1.324 60.817 62.300 -0.265 0.000 0.889 186 V CB 0.485 32.113 31.823 -0.325 0.000 0.985 186 V HN 0.416 8.542 8.190 -0.107 0.000 0.459 187 D N 5.558 125.707 120.400 -0.419 0.000 2.487 187 D HA 0.326 4.904 4.640 -0.103 0.000 0.262 187 D C -1.107 174.946 176.300 -0.411 0.000 1.130 187 D CA -0.745 53.097 54.000 -0.263 0.000 1.038 187 D CB 3.097 43.833 40.800 -0.107 0.000 1.142 187 D HN -0.059 7.998 8.370 -0.522 0.000 0.575 188 F N -3.087 116.897 119.950 0.056 0.000 2.603 188 F HA 0.525 5.258 4.527 0.095 -0.150 0.317 188 F C -0.811 175.032 175.800 0.072 0.000 1.066 188 F CA -0.766 57.278 58.000 0.074 0.000 0.941 188 F CB 4.737 43.779 39.000 0.069 0.000 1.291 188 F HN 0.154 8.583 8.300 0.215 0.000 0.472 189 D N 1.113 121.684 120.400 0.286 0.000 2.364 189 D HA 0.193 4.929 4.640 0.159 0.000 0.251 189 D C -2.064 174.326 176.300 0.150 0.000 1.282 189 D CA 0.067 54.170 54.000 0.171 0.000 0.927 189 D CB 1.215 42.079 40.800 0.108 0.000 1.267 189 D HN -0.027 8.559 8.370 0.361 0.000 0.531 190 A N 0.000 122.899 122.820 0.131 0.000 2.254 190 A HA 0.000 4.373 4.320 0.089 0.000 0.244 190 A CA 0.000 52.094 52.037 0.094 0.000 0.836 190 A CB 0.000 19.056 19.000 0.094 0.000 0.831 190 A HN 0.000 8.231 8.150 0.135 0.000 0.486