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 1gci_1_A DATA FIRST_RESID 1 DATA SEQUENCE AQSVPWGISR VQAPAAHNRG LTGSGVKVAV LDTGISXTHP DLNIRGGASF DATA SEQUENCE VPGEPSTXQD GNGHGTHVAG TIAALNNSIG VLGVAPSAEL YAVKVLGASG DATA SEQUENCE SGSVSSIAQG LEWAGNNGMH VANLSLGSPS PSATLEQAVN SATSRGVLVV DATA SEQUENCE AASGNSGAXX XXGSISYPAR YANAMAVGAT DQNNNRASFS QYGAGLDIVA DATA SEQUENCE PGVNVQSTYP GSTYASLNGT SMATPHVAGA AALVKQKNPS WSNVQIRNHL DATA SEQUENCE KNTATSLGST NLYGSGLVNA EAATR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 4.308 4.320 -0.019 0.000 0.244 1 A C 0.000 177.553 177.584 -0.051 0.000 1.274 1 A CA 0.000 52.021 52.037 -0.027 0.000 0.836 1 A CB 0.000 18.985 19.000 -0.024 0.000 0.831 2 Q N 1.811 121.583 119.800 -0.046 0.000 2.245 2 Q HA 0.252 4.691 4.340 -0.100 -0.159 0.256 2 Q C -0.871 175.095 176.000 -0.058 0.000 0.942 2 Q CA -0.978 54.786 55.803 -0.065 0.000 0.896 2 Q CB 1.956 30.670 28.738 -0.039 0.000 1.272 2 Q HN 0.282 8.533 8.270 -0.032 0.000 0.442 3 S N 5.422 121.074 115.700 -0.080 0.000 2.607 3 S HA 0.391 4.846 4.470 -0.026 0.000 0.303 3 S C -1.944 172.638 174.600 -0.030 0.000 1.086 3 S CA -0.849 57.324 58.200 -0.046 0.000 0.995 3 S CB 2.289 65.453 63.200 -0.059 0.000 1.084 3 S HN 0.521 8.759 8.310 -0.120 0.000 0.507 4 V N 2.756 122.672 119.914 0.004 0.000 2.311 4 V HA 0.292 4.417 4.120 0.009 0.000 0.275 4 V C -1.742 174.375 176.094 0.038 0.000 1.022 4 V CA -3.375 58.937 62.300 0.020 0.000 0.830 4 V CB 0.278 32.123 31.823 0.036 0.000 1.012 4 V HN 0.248 8.445 8.190 0.012 0.000 0.452 5 P HA -0.007 4.468 4.420 0.093 0.000 0.267 5 P C 0.624 177.956 177.300 0.055 0.000 1.200 5 P CA -0.229 62.897 63.100 0.043 0.000 0.772 5 P CB 0.804 32.493 31.700 -0.020 0.000 0.855 6 W N 2.497 123.830 121.300 0.055 0.000 2.342 6 W HA -0.367 4.312 4.660 0.032 0.000 0.297 6 W C 1.040 177.593 176.519 0.056 0.000 1.213 6 W CA 2.962 60.333 57.345 0.044 0.000 1.251 6 W CB -1.265 28.214 29.460 0.031 0.000 1.136 6 W HN 0.600 8.982 8.180 0.338 0.000 0.526 7 G N 0.465 108.714 108.800 -0.920 0.000 2.422 7 G HA2 -0.344 2.889 3.960 -1.212 0.000 0.218 7 G HA3 -0.344 3.051 3.960 -0.942 0.000 0.218 7 G C 0.778 175.545 174.900 -0.221 0.000 1.140 7 G CA 1.423 45.983 45.100 -0.899 0.000 0.775 7 G HN 0.104 7.745 8.290 -1.050 0.019 0.545 8 I N 1.620 122.163 120.570 -0.045 0.000 2.226 8 I HA -0.398 3.820 4.170 0.081 0.000 0.245 8 I C 1.621 177.733 176.117 -0.008 0.000 1.100 8 I CA 2.024 63.336 61.300 0.019 0.000 1.374 8 I CB -1.288 36.714 38.000 0.003 0.000 1.057 8 I HN -0.612 7.549 8.210 -0.081 0.000 0.413 9 S N -0.142 115.560 115.700 0.003 0.000 2.383 9 S HA -0.181 4.287 4.470 -0.003 0.000 0.227 9 S C 2.736 177.348 174.600 0.020 0.000 1.026 9 S CA 3.323 61.535 58.200 0.020 0.000 0.981 9 S CB -0.509 62.730 63.200 0.065 0.000 0.818 9 S HN -0.453 7.864 8.310 0.012 0.000 0.472 10 R N 2.885 123.399 120.500 0.024 0.000 2.096 10 R HA -0.192 4.197 4.340 0.081 0.000 0.235 10 R C 1.798 178.084 176.300 -0.024 0.000 1.127 10 R CA 2.413 58.534 56.100 0.035 0.000 0.968 10 R CB -0.291 30.045 30.300 0.061 0.000 0.861 10 R HN -0.154 8.039 8.270 0.006 0.080 0.440 11 V N -7.168 112.711 119.914 -0.058 0.000 3.573 11 V HA 0.189 4.413 4.120 -0.044 -0.130 0.270 11 V C -0.799 175.274 176.094 -0.034 0.000 1.221 11 V CA -0.988 61.287 62.300 -0.041 0.000 1.163 11 V CB -0.360 31.454 31.823 -0.015 0.000 0.847 11 V HN -0.546 7.601 8.190 -0.072 0.000 0.468 12 Q N -5.033 114.742 119.800 -0.042 0.000 2.502 12 Q HA -0.505 3.876 4.340 -0.058 -0.076 0.273 12 Q C 0.129 176.058 176.000 -0.119 0.000 1.127 12 Q CA 0.955 56.721 55.803 -0.062 0.000 0.952 12 Q CB -3.188 25.524 28.738 -0.043 0.000 1.333 12 Q HN -0.230 7.825 8.270 -0.034 0.195 0.494 13 A N -1.900 120.827 122.820 -0.155 0.000 1.933 13 A HA -0.182 3.975 4.320 -0.272 0.000 0.218 13 A C -1.240 175.928 177.584 -0.692 0.000 1.175 13 A CA 4.948 56.783 52.037 -0.337 0.000 0.628 13 A CB -1.492 17.367 19.000 -0.234 0.000 0.814 13 A HN -0.352 7.702 8.150 -0.105 0.033 0.444 14 P HA -0.189 3.959 4.420 -0.453 0.000 0.218 14 P C 0.845 178.020 177.300 -0.209 0.000 1.148 14 P CA 2.840 65.739 63.100 -0.334 0.000 0.822 14 P CB -0.557 31.089 31.700 -0.091 0.000 0.784 15 A N -3.584 119.143 122.820 -0.154 0.000 1.933 15 A HA -0.263 4.027 4.320 -0.050 0.000 0.218 15 A C 1.793 179.333 177.584 -0.073 0.000 1.175 15 A CA 2.934 54.923 52.037 -0.080 0.000 0.628 15 A CB -1.042 17.924 19.000 -0.056 0.000 0.814 15 A HN -0.434 7.609 8.150 -0.156 0.014 0.444 16 A N -1.095 121.651 122.820 -0.123 0.000 1.902 16 A HA -0.294 4.012 4.320 -0.022 0.000 0.217 16 A C 2.116 179.723 177.584 0.039 0.000 1.181 16 A CA 2.651 54.656 52.037 -0.052 0.000 0.623 16 A CB -0.681 18.287 19.000 -0.053 0.000 0.818 16 A HN -0.618 7.424 8.150 -0.180 0.000 0.443 17 H N -1.276 117.791 119.070 -0.005 0.000 2.387 17 H HA -0.221 4.520 4.556 -0.010 -0.190 0.299 17 H C 3.357 178.680 175.328 -0.007 0.000 1.099 17 H CA 2.202 58.245 56.048 -0.007 0.000 1.315 17 H CB -0.185 29.573 29.762 -0.007 0.000 1.380 17 H HN -0.211 7.896 8.280 -0.289 0.000 0.513 18 N N -0.389 118.372 118.700 0.101 0.000 2.381 18 N HA -0.114 4.662 4.740 0.060 0.000 0.182 18 N C 0.728 176.259 175.510 0.034 0.000 1.025 18 N CA 2.159 55.240 53.050 0.053 0.000 0.888 18 N CB -0.422 38.081 38.487 0.027 0.000 0.965 18 N HN -0.088 8.316 8.380 0.067 0.016 0.438 19 R N -2.196 118.322 120.500 0.030 0.000 2.356 19 R HA 0.109 4.456 4.340 0.011 0.000 0.234 19 R C 0.282 176.592 176.300 0.017 0.000 0.929 19 R CA -0.279 55.830 56.100 0.016 0.000 1.084 19 R CB -0.230 30.074 30.300 0.006 0.000 1.105 19 R HN -0.627 7.529 8.270 0.033 0.134 0.515 20 G N -1.107 107.712 108.800 0.031 0.000 2.141 20 G HA2 -0.395 3.577 3.960 0.019 0.000 0.242 20 G HA3 -0.395 3.569 3.960 0.007 0.000 0.242 20 G C -0.812 174.100 174.900 0.020 0.000 0.982 20 G CA 0.191 45.303 45.100 0.019 0.000 0.662 20 G HN -0.238 7.894 8.290 0.046 0.186 0.527 21 L N -0.080 121.171 121.223 0.048 0.000 2.280 21 L HA 0.228 4.723 4.340 0.018 -0.145 0.287 21 L C -0.475 176.461 176.870 0.111 0.000 1.023 21 L CA -0.852 54.017 54.840 0.049 0.000 0.819 21 L CB 0.590 42.669 42.059 0.033 0.000 1.212 21 L HN -0.521 7.710 8.230 0.066 0.039 0.420 22 T N -2.287 112.293 114.554 0.044 0.000 3.041 22 T HA 0.377 4.734 4.350 0.012 0.000 0.276 22 T C 0.843 175.544 174.700 0.002 0.000 0.948 22 T CA -0.850 61.249 62.100 -0.002 0.000 0.885 22 T CB 2.684 71.508 68.868 -0.073 0.000 1.175 22 T HN 0.876 9.482 8.240 0.019 -0.355 0.529 23 G N 1.436 110.244 108.800 0.012 0.000 2.157 23 G HA2 -0.460 3.662 3.960 0.009 0.000 0.248 23 G HA3 -0.460 3.513 3.960 0.022 0.000 0.248 23 G C -1.268 173.636 174.900 0.006 0.000 0.979 23 G CA 0.392 45.499 45.100 0.012 0.000 0.650 23 G HN -0.102 8.426 8.290 0.013 -0.229 0.529 24 S N 0.866 116.563 115.700 -0.006 0.000 2.558 24 S HA -0.221 4.411 4.470 0.006 -0.158 0.293 24 S C 1.019 175.619 174.600 -0.000 0.000 1.292 24 S CA 1.334 59.532 58.200 -0.002 0.000 1.063 24 S CB 0.036 63.229 63.200 -0.012 0.000 0.831 24 S HN -0.829 7.525 8.310 -0.012 -0.051 0.499 25 G N 5.021 113.836 108.800 0.026 0.000 2.184 25 G HA2 -0.258 3.861 3.960 0.060 0.000 0.264 25 G HA3 -0.258 3.705 3.960 0.005 0.000 0.264 25 G C -0.695 174.233 174.900 0.047 0.000 0.975 25 G CA 0.460 45.581 45.100 0.035 0.000 0.642 25 G HN 0.364 8.676 8.290 0.037 0.000 0.536 26 V N 1.334 121.288 119.914 0.066 0.000 2.417 26 V HA 0.081 4.223 4.120 0.036 0.000 0.291 26 V C -1.274 174.999 176.094 0.298 0.000 1.024 26 V CA -1.962 60.405 62.300 0.112 0.000 0.861 26 V CB 0.813 32.646 31.823 0.016 0.000 0.985 26 V HN -0.577 7.589 8.190 0.063 0.062 0.436 27 K N 7.449 128.173 120.400 0.540 0.000 2.234 27 K HA 0.388 5.136 4.320 0.418 -0.177 0.277 27 K C -1.104 175.669 176.600 0.290 0.000 1.038 27 K CA -0.517 55.988 56.287 0.364 0.000 0.888 27 K CB 1.178 33.742 32.500 0.108 0.000 1.091 27 K HN 0.329 9.223 8.250 1.074 0.000 0.467 28 V N 5.240 125.345 119.914 0.318 0.000 2.407 28 V HA 0.486 4.921 4.120 0.207 -0.191 0.291 28 V C -1.686 174.586 176.094 0.295 0.000 1.018 28 V CA -2.060 60.385 62.300 0.242 0.000 0.842 28 V CB 1.806 33.733 31.823 0.173 0.000 0.996 28 V HN 0.571 8.992 8.190 0.386 0.000 0.426 29 A N 8.137 131.109 122.820 0.254 0.000 2.301 29 A HA 0.488 5.167 4.320 0.337 -0.157 0.298 29 A C -1.761 175.929 177.584 0.176 0.000 1.185 29 A CA -1.795 50.404 52.037 0.270 0.000 0.830 29 A CB 2.450 21.631 19.000 0.301 0.000 1.112 29 A HN 0.814 9.090 8.150 0.210 0.000 0.508 30 V N 4.169 124.167 119.914 0.140 0.000 2.311 30 V HA 0.182 4.361 4.120 0.099 0.000 0.275 30 V C -1.542 174.603 176.094 0.086 0.000 1.022 30 V CA -1.174 61.184 62.300 0.096 0.000 0.830 30 V CB -0.080 31.781 31.823 0.062 0.000 1.012 30 V HN 0.446 8.725 8.190 0.148 0.000 0.452 31 L N 8.639 129.922 121.223 0.100 0.000 2.282 31 L HA 0.583 5.219 4.340 0.084 -0.245 0.287 31 L C 0.518 177.446 176.870 0.097 0.000 1.075 31 L CA -0.238 54.660 54.840 0.095 0.000 0.839 31 L CB -0.822 41.300 42.059 0.105 0.000 1.219 31 L HN 0.179 8.473 8.230 0.107 0.000 0.434 32 D N 5.683 126.134 120.400 0.084 0.000 3.650 32 D HA 0.298 4.944 4.640 0.009 0.000 0.341 32 D C -0.500 175.841 176.300 0.068 0.000 1.479 32 D CA 0.209 54.273 54.000 0.107 0.000 0.963 32 D CB 1.713 42.606 40.800 0.155 0.000 1.449 32 D HN -0.131 nan 8.370 nan 0.000 0.601 33 T N 0.105 114.707 114.554 0.080 0.000 3.252 33 T HA 0.165 4.779 4.350 0.015 -0.256 0.250 33 T C -0.335 174.366 174.700 0.002 0.000 1.123 33 T CA 0.687 62.806 62.100 0.032 0.000 1.006 33 T CB 0.165 69.057 68.868 0.039 0.000 0.992 33 T HN 0.245 8.566 8.240 0.136 0.000 0.547 34 G N -1.196 107.603 108.800 -0.002 0.000 2.498 34 G HA2 -0.205 3.747 3.960 -0.046 0.000 0.651 34 G HA3 -0.205 3.780 3.960 -0.044 -0.052 0.651 34 G C -3.012 171.871 174.900 -0.029 0.000 1.284 34 G CA -0.728 44.352 45.100 -0.033 0.000 0.950 34 G HN -0.745 7.455 8.290 0.015 0.099 0.511 35 I N -2.696 117.845 120.570 -0.047 0.000 2.548 35 I HA 0.250 4.391 4.170 -0.050 0.000 0.287 35 I C -0.736 175.349 176.117 -0.054 0.000 1.103 35 I CA -1.159 60.111 61.300 -0.050 0.000 1.049 35 I CB 3.052 41.023 38.000 -0.048 0.000 1.232 35 I HN 0.056 8.232 8.210 -0.056 0.000 0.429 39 H N 4.539 123.571 119.070 -0.064 0.000 3.086 39 H HA 0.373 4.884 4.556 -0.075 0.000 0.353 39 H C -1.576 173.728 175.328 -0.040 0.000 1.134 39 H CA -0.919 55.088 56.048 -0.069 0.000 1.248 39 H CB 3.134 32.840 29.762 -0.093 0.000 1.878 39 H HN 0.239 8.566 8.280 0.079 0.000 0.527 40 P HA 0.095 4.538 4.420 0.038 0.000 0.234 40 P C -0.798 176.621 177.300 0.197 0.000 1.167 40 P CA 1.381 64.518 63.100 0.061 0.000 0.763 40 P CB 0.345 32.034 31.700 -0.017 0.000 0.835 41 D N -1.222 119.458 120.400 0.467 0.000 2.424 41 D HA 0.270 5.017 4.640 0.179 0.000 0.220 41 D C -2.055 174.301 176.300 0.095 0.000 1.150 41 D CA -0.509 53.649 54.000 0.264 0.000 0.831 41 D CB 1.165 42.156 40.800 0.319 0.000 0.981 41 D HN -0.174 8.743 8.370 0.999 0.053 0.500 42 L N -3.326 117.950 121.223 0.088 0.000 2.388 42 L HA 0.326 4.652 4.340 -0.024 0.000 0.264 42 L C -1.588 175.283 176.870 0.001 0.000 0.998 42 L CA -0.960 53.881 54.840 0.002 0.000 0.817 42 L CB 3.673 45.712 42.059 -0.033 0.000 1.338 42 L HN -0.721 7.535 8.230 0.156 0.068 0.414 43 N N 1.984 120.665 118.700 -0.031 0.000 2.569 43 N HA 0.091 4.809 4.740 -0.036 0.000 0.254 43 N C -1.599 173.860 175.510 -0.084 0.000 1.004 43 N CA -1.267 51.755 53.050 -0.046 0.000 0.904 43 N CB 0.692 39.153 38.487 -0.043 0.000 1.165 43 N HN 0.178 8.535 8.380 -0.040 0.000 0.513 44 I N 3.484 123.999 120.570 -0.091 0.000 2.304 44 I HA 0.082 4.261 4.170 -0.167 -0.109 0.291 44 I C 0.347 176.352 176.117 -0.186 0.000 1.018 44 I CA -0.018 61.199 61.300 -0.139 0.000 1.260 44 I CB 0.472 38.413 38.000 -0.098 0.000 1.390 44 I HN 0.441 8.610 8.210 -0.069 0.000 0.475 45 R N 6.113 126.401 120.500 -0.353 0.000 2.246 45 R HA 0.130 4.348 4.340 -0.203 0.000 0.199 45 R C 0.149 176.293 176.300 -0.261 0.000 0.984 45 R CA -0.502 55.377 56.100 -0.369 0.000 1.015 45 R CB 0.823 30.794 30.300 -0.549 0.000 0.930 45 R HN 0.679 8.670 8.270 -0.464 0.000 0.475 46 G N -4.377 104.281 108.800 -0.236 0.000 2.344 46 G HA2 -0.035 3.966 3.960 0.068 0.000 0.282 46 G HA3 -0.035 4.108 3.960 0.305 0.000 0.282 46 G C -2.410 172.589 174.900 0.165 0.000 1.281 46 G CA 0.058 45.218 45.100 0.100 0.000 0.877 46 G HN -0.785 7.309 8.290 -0.327 0.000 0.494 47 G N -2.760 106.172 108.800 0.220 0.000 2.350 47 G HA2 0.043 3.759 3.960 -0.406 0.000 0.282 47 G HA3 0.043 4.081 3.960 -0.182 -0.187 0.282 47 G C -2.941 171.716 174.900 -0.407 0.000 1.314 47 G CA 0.358 45.344 45.100 -0.191 0.000 0.915 47 G HN -0.134 8.350 8.290 0.322 0.000 0.499 48 A N -2.658 119.764 122.820 -0.663 0.000 2.608 48 A HA 0.344 4.374 4.320 -0.483 0.000 0.292 48 A C -3.106 174.047 177.584 -0.717 0.000 1.066 48 A CA -0.236 51.379 52.037 -0.703 0.000 0.676 48 A CB 2.948 21.350 19.000 -0.996 0.000 1.277 48 A HN 0.107 7.867 8.150 -0.650 0.000 0.413 49 S N -0.234 115.012 115.700 -0.758 0.000 2.473 49 S HA 0.407 4.717 4.470 -0.488 -0.133 0.307 49 S C -0.118 173.918 174.600 -0.939 0.000 1.094 49 S CA -0.667 57.157 58.200 -0.628 0.000 1.070 49 S CB 0.738 63.742 63.200 -0.327 0.000 1.019 49 S HN 0.401 8.294 8.310 -0.695 0.000 0.480 50 F N 5.895 125.798 119.950 -0.079 0.000 2.654 50 F HA 0.295 4.803 4.527 -0.033 0.000 0.303 50 F C -0.208 175.574 175.800 -0.028 0.000 1.099 50 F CA -0.747 57.228 58.000 -0.042 0.000 1.270 50 F CB 1.492 40.475 39.000 -0.028 0.000 1.024 50 F HN 0.568 8.733 8.300 -0.224 0.000 0.548 51 V N 2.805 122.729 119.914 0.015 0.000 2.348 51 V HA 0.332 4.478 4.120 0.043 0.000 0.270 51 V C -2.161 173.928 176.094 -0.008 0.000 1.037 51 V CA -4.193 58.116 62.300 0.015 0.000 0.872 51 V CB 0.125 31.944 31.823 -0.007 0.000 1.002 51 V HN -0.730 7.361 8.190 -0.059 0.063 0.464 52 P HA -0.088 4.329 4.420 -0.005 0.000 0.265 52 P C 0.102 177.395 177.300 -0.012 0.000 1.193 52 P CA 0.941 64.041 63.100 -0.000 0.000 0.765 52 P CB 0.533 32.241 31.700 0.012 0.000 0.823 53 G N 2.933 111.722 108.800 -0.020 0.000 2.205 53 G HA2 -0.186 3.762 3.960 -0.021 0.000 0.261 53 G HA3 -0.186 3.764 3.960 -0.017 0.000 0.261 53 G C -0.436 174.446 174.900 -0.031 0.000 0.980 53 G CA -0.059 45.028 45.100 -0.022 0.000 0.632 53 G HN 0.346 8.623 8.290 -0.021 0.000 0.533 54 E N 0.065 120.241 120.200 -0.041 0.000 3.167 54 E HA 0.447 4.768 4.350 -0.047 0.000 0.212 54 E C -1.839 174.716 176.600 -0.076 0.000 1.143 54 E CA -3.654 52.715 56.400 -0.052 0.000 1.002 54 E CB 0.801 30.471 29.700 -0.049 0.000 1.315 54 E HN -0.521 7.729 8.360 -0.041 0.086 0.422 55 P HA -0.059 4.288 4.420 -0.122 0.000 0.223 55 P C -0.951 176.283 177.300 -0.111 0.000 1.151 55 P CA 0.476 63.517 63.100 -0.099 0.000 0.787 55 P CB 0.447 32.102 31.700 -0.074 0.000 0.788 56 S N 0.735 116.382 115.700 -0.089 0.000 2.592 56 S HA 0.060 4.477 4.470 -0.088 0.000 0.271 56 S C 0.277 174.814 174.600 -0.106 0.000 1.326 56 S CA -0.079 58.067 58.200 -0.089 0.000 1.024 56 S CB 0.205 63.364 63.200 -0.067 0.000 0.921 56 S HN -0.517 7.713 8.310 -0.076 0.035 0.527 60 D N 0.866 121.226 120.400 -0.066 0.000 2.373 60 D HA 0.175 4.820 4.640 0.009 0.000 0.227 60 D C -0.511 175.743 176.300 -0.078 0.000 1.091 60 D CA -0.403 53.557 54.000 -0.068 0.000 0.840 60 D CB 0.488 41.240 40.800 -0.080 0.000 1.060 60 D HN 0.092 nan 8.370 nan 0.000 0.502 61 G N 3.483 112.247 108.800 -0.059 0.000 2.985 61 G HA2 -0.079 3.845 3.960 -0.060 0.000 0.209 61 G HA3 -0.079 3.855 3.960 -0.044 0.000 0.209 61 G C -0.551 174.318 174.900 -0.051 0.000 1.165 61 G CA 0.008 45.075 45.100 -0.054 0.000 0.776 61 G HN 0.558 8.818 8.290 -0.050 0.000 0.541 62 N N -0.204 118.464 118.700 -0.053 0.000 2.684 62 N HA -0.001 4.730 4.740 -0.015 0.000 0.220 62 N C 1.727 177.201 175.510 -0.061 0.000 1.037 62 N CA 0.532 53.566 53.050 -0.026 0.000 0.975 62 N CB 1.732 40.222 38.487 0.007 0.000 1.426 62 N HN -0.249 8.328 8.380 -0.057 -0.231 0.450 63 G N 0.804 109.528 108.800 -0.127 0.000 2.481 63 G HA2 -0.240 3.726 3.960 0.009 0.000 0.200 63 G HA3 -0.240 3.726 3.960 0.009 0.000 0.200 63 G C 1.154 176.062 174.900 0.013 0.000 1.012 63 G CA -0.422 44.483 45.100 -0.326 0.000 0.676 63 G HN 0.254 nan 8.290 nan 0.000 0.488 64 H N 4.061 123.147 119.070 0.025 0.000 2.321 64 H HA -0.077 4.484 4.556 0.009 0.000 0.300 64 H C 1.500 176.875 175.328 0.077 0.000 1.087 64 H CA 1.223 57.314 56.048 0.072 0.000 1.319 64 H CB 0.655 30.438 29.762 0.034 0.000 1.379 64 H HN 0.188 nan 8.280 nan 0.000 0.501 65 G N -0.937 107.953 108.800 0.150 0.000 2.408 65 G HA2 -0.270 3.785 3.960 0.084 0.000 0.217 65 G HA3 -0.270 3.917 3.960 0.075 -0.182 0.217 65 G C 1.974 176.878 174.900 0.006 0.000 1.150 65 G CA 1.765 46.909 45.100 0.074 0.000 0.776 65 G HN 0.118 8.511 8.290 0.173 0.000 0.542 66 T N 6.070 120.614 114.554 -0.017 0.000 2.821 66 T HA -0.094 4.262 4.350 0.009 0.000 0.267 66 T C 1.869 176.546 174.700 -0.038 0.000 1.046 66 T CA 2.290 64.355 62.100 -0.059 0.000 1.139 66 T CB -0.462 68.338 68.868 -0.114 0.000 0.871 66 T HN -0.116 nan 8.240 nan 0.000 0.454 67 H N 3.606 122.647 119.070 -0.048 0.000 2.299 67 H HA -0.127 4.636 4.556 0.008 -0.202 0.302 67 H C 2.056 177.329 175.328 -0.091 0.000 1.078 67 H CA 3.275 59.313 56.048 -0.017 0.000 1.323 67 H CB 0.516 30.316 29.762 0.062 0.000 1.381 67 H HN -0.464 7.907 8.280 0.152 0.000 0.498 68 V N -0.835 119.091 119.914 0.020 0.000 2.282 68 V HA -0.495 3.612 4.120 -0.023 0.000 0.249 68 V C 2.094 178.143 176.094 -0.074 0.000 1.057 68 V CA 4.243 66.517 62.300 -0.043 0.000 1.032 68 V CB -1.018 30.762 31.823 -0.070 0.000 0.645 68 V HN -0.198 8.001 8.190 0.016 0.000 0.447 69 A N -1.519 121.262 122.820 -0.065 0.000 1.908 69 A HA -0.277 4.015 4.320 -0.046 0.000 0.218 69 A C 2.243 179.760 177.584 -0.112 0.000 1.181 69 A CA 3.286 55.281 52.037 -0.069 0.000 0.627 69 A CB -0.685 18.278 19.000 -0.062 0.000 0.818 69 A HN -0.023 8.096 8.150 -0.052 0.000 0.445 70 G N -3.191 105.510 108.800 -0.165 0.000 2.448 70 G HA2 -0.266 3.599 3.960 -0.159 0.000 0.218 70 G HA3 -0.266 3.559 3.960 -0.225 0.000 0.218 70 G C 1.550 176.333 174.900 -0.196 0.000 1.135 70 G CA 1.798 46.785 45.100 -0.189 0.000 0.784 70 G HN -0.258 7.928 8.290 -0.173 0.000 0.543 71 T N 4.836 119.246 114.554 -0.240 0.000 2.821 71 T HA -0.294 3.869 4.350 -0.312 0.000 0.267 71 T C 1.318 175.874 174.700 -0.240 0.000 1.046 71 T CA 5.649 67.567 62.100 -0.303 0.000 1.139 71 T CB -0.256 68.378 68.868 -0.390 0.000 0.871 71 T HN -0.649 7.446 8.240 -0.241 0.000 0.454 72 I N -0.278 120.201 120.570 -0.151 0.000 2.202 72 I HA -0.280 3.841 4.170 -0.080 0.000 0.242 72 I C 0.417 176.499 176.117 -0.058 0.000 1.091 72 I CA 4.064 65.316 61.300 -0.081 0.000 1.368 72 I CB 0.303 38.284 38.000 -0.031 0.000 1.058 72 I HN -0.645 7.481 8.210 -0.140 0.000 0.410 73 A N -6.949 115.830 122.820 -0.069 0.000 2.538 73 A HA 0.344 4.792 4.320 -0.044 -0.155 0.276 73 A C -1.916 175.630 177.584 -0.064 0.000 0.908 73 A CA -1.703 50.303 52.037 -0.052 0.000 1.042 73 A CB 1.013 19.993 19.000 -0.034 0.000 1.218 73 A HN -0.475 7.622 8.150 -0.089 0.000 0.517 74 A N -0.086 122.688 122.820 -0.077 0.000 2.540 74 A HA 0.027 4.490 4.320 -0.062 -0.180 0.239 74 A C 0.147 177.704 177.584 -0.044 0.000 1.061 74 A CA 0.191 52.192 52.037 -0.060 0.000 0.758 74 A CB 0.643 19.611 19.000 -0.054 0.000 0.991 74 A HN -0.531 7.481 8.150 -0.090 0.084 0.502 75 L N 2.379 123.589 121.223 -0.022 0.000 2.439 75 L HA -0.111 4.201 4.340 -0.047 0.000 0.269 75 L C 0.195 177.043 176.870 -0.036 0.000 1.179 75 L CA -0.250 54.573 54.840 -0.029 0.000 0.828 75 L CB 0.351 42.408 42.059 -0.003 0.000 1.106 75 L HN -0.182 8.045 8.230 -0.005 0.000 0.467 76 N N 3.145 121.806 118.700 -0.064 0.000 2.469 76 N HA -0.108 4.735 4.740 -0.057 -0.137 0.239 76 N C -1.199 174.288 175.510 -0.039 0.000 1.053 76 N CA -0.071 52.938 53.050 -0.068 0.000 0.937 76 N CB -0.445 37.965 38.487 -0.127 0.000 1.163 76 N HN 0.250 8.585 8.380 -0.075 0.000 0.509 77 N N 4.945 123.632 118.700 -0.021 0.000 3.588 77 N HA 0.168 4.901 4.740 -0.012 0.000 0.340 77 N C -1.412 174.094 175.510 -0.007 0.000 1.609 77 N CA -0.338 52.706 53.050 -0.010 0.000 0.811 77 N CB 0.693 39.181 38.487 0.001 0.000 2.184 77 N HN -0.186 8.510 8.380 -0.021 -0.329 0.577 78 S N -0.637 115.062 115.700 -0.001 0.000 2.582 78 S HA 0.222 4.687 4.470 -0.008 0.000 0.234 78 S C -0.919 173.677 174.600 -0.005 0.000 0.961 78 S CA -0.075 58.122 58.200 -0.004 0.000 0.953 78 S CB -0.318 62.881 63.200 -0.001 0.000 0.800 78 S HN 0.028 8.340 8.310 0.004 0.000 0.471 79 I N -4.450 116.119 120.570 -0.000 0.000 3.042 79 I HA 0.411 4.710 4.170 -0.021 -0.141 0.310 79 I C -0.657 175.431 176.117 -0.047 0.000 1.117 79 I CA -1.347 59.953 61.300 -0.001 0.000 1.003 79 I CB 3.137 41.174 38.000 0.062 0.000 1.228 79 I HN -0.708 7.690 8.210 0.005 -0.186 0.443 80 G N 1.308 109.994 108.800 -0.190 0.000 2.556 80 G HA2 -0.300 2.860 3.960 -1.334 0.000 0.283 80 G HA3 -0.300 3.679 3.960 -0.197 -0.136 0.283 80 G C -1.284 173.383 174.900 -0.389 0.000 1.177 80 G CA 0.908 45.681 45.100 -0.545 0.000 0.978 80 G HN -0.266 7.909 8.290 -0.192 0.000 0.554 81 V N -3.210 116.589 119.914 -0.191 0.000 3.417 81 V HA 0.756 5.022 4.120 -0.124 -0.221 0.297 81 V C -1.846 174.223 176.094 -0.042 0.000 1.271 81 V CA -3.460 58.777 62.300 -0.104 0.000 1.012 81 V CB 2.962 34.746 31.823 -0.065 0.000 1.241 81 V HN 0.119 8.524 8.190 -0.058 -0.250 0.477 82 L N -2.264 118.939 121.223 -0.033 0.000 2.505 82 L HA 0.276 4.600 4.340 -0.026 0.000 0.266 82 L C -0.552 176.306 176.870 -0.021 0.000 0.954 82 L CA -0.445 54.385 54.840 -0.017 0.000 0.852 82 L CB 3.413 45.483 42.059 0.019 0.000 1.282 82 L HN -0.067 8.139 8.230 -0.040 0.000 0.403 83 G N 3.495 112.275 108.800 -0.033 0.000 2.562 83 G HA2 0.323 4.410 3.960 -0.082 0.000 0.275 83 G HA3 0.323 4.304 3.960 -0.055 -0.054 0.275 83 G C -0.478 174.449 174.900 0.045 0.000 1.196 83 G CA -0.980 44.095 45.100 -0.042 0.000 0.908 83 G HN 0.070 8.246 8.290 -0.043 0.089 0.524 84 V N -0.140 119.783 119.914 0.016 0.000 2.343 84 V HA -0.281 3.920 4.120 0.135 0.000 0.247 84 V C -0.051 176.169 176.094 0.211 0.000 1.051 84 V CA 3.208 65.569 62.300 0.101 0.000 1.036 84 V CB 0.090 31.931 31.823 0.029 0.000 0.654 84 V HN -0.237 7.919 8.190 -0.058 0.000 0.451 85 A N -3.145 119.728 122.820 0.088 0.000 3.105 85 A HA 0.585 5.016 4.320 0.090 -0.056 0.336 85 A C -2.281 175.292 177.584 -0.018 0.000 1.042 85 A CA -2.973 49.098 52.037 0.056 0.000 0.851 85 A CB 0.274 19.303 19.000 0.049 0.000 1.068 85 A HN -0.100 8.073 8.150 0.039 0.000 0.477 86 P HA -0.061 4.310 4.420 -0.082 0.000 0.226 86 P C -0.440 176.810 177.300 -0.083 0.000 1.153 86 P CA 1.495 64.527 63.100 -0.114 0.000 0.777 86 P CB 0.373 31.947 31.700 -0.210 0.000 0.794 87 S N -1.879 113.779 115.700 -0.069 0.000 2.568 87 S HA 0.181 4.627 4.470 -0.041 0.000 0.232 87 S C -0.661 173.934 174.600 -0.008 0.000 0.975 87 S CA -0.663 57.513 58.200 -0.040 0.000 0.949 87 S CB -0.063 63.113 63.200 -0.041 0.000 0.829 87 S HN -0.274 7.944 8.310 -0.075 0.046 0.479 88 A N 2.261 125.083 122.820 0.004 0.000 2.520 88 A HA -0.104 4.452 4.320 0.055 -0.202 0.235 88 A C -0.313 177.296 177.584 0.042 0.000 1.065 88 A CA 0.077 52.139 52.037 0.042 0.000 0.764 88 A CB 0.674 19.706 19.000 0.053 0.000 1.002 88 A HN -0.483 7.503 8.150 -0.006 0.161 0.502 89 E N 2.257 122.515 120.200 0.097 0.000 2.052 89 E HA 0.071 4.421 4.350 0.000 0.000 0.283 89 E C -1.118 175.532 176.600 0.085 0.000 1.071 89 E CA -0.864 55.590 56.400 0.089 0.000 0.851 89 E CB 0.442 30.276 29.700 0.224 0.000 1.066 89 E HN 0.019 8.458 8.360 0.132 0.000 0.396 90 L N 4.830 125.980 121.223 -0.120 0.000 2.289 90 L HA 0.476 5.027 4.340 0.074 -0.167 0.285 90 L C -1.012 175.669 176.870 -0.316 0.000 1.049 90 L CA -0.850 53.942 54.840 -0.080 0.000 0.804 90 L CB 1.561 43.578 42.059 -0.070 0.000 1.195 90 L HN 0.421 8.550 8.230 -0.169 0.000 0.428 91 Y N 2.018 122.365 120.300 0.079 0.000 2.376 91 Y HA 0.423 5.182 4.550 0.059 -0.174 0.340 91 Y C -1.450 174.447 175.900 -0.004 0.000 0.965 91 Y CA -1.982 56.163 58.100 0.075 0.000 1.078 91 Y CB 3.492 42.086 38.460 0.224 0.000 1.193 91 Y HN 0.429 8.871 8.280 0.271 0.000 0.452 92 A N 3.504 126.337 122.820 0.021 0.000 2.316 92 A HA 0.292 4.601 4.320 -0.018 0.000 0.311 92 A C -2.125 175.374 177.584 -0.141 0.000 1.339 92 A CA -0.867 51.141 52.037 -0.048 0.000 0.960 92 A CB 0.486 19.442 19.000 -0.073 0.000 1.152 92 A HN 0.748 8.899 8.150 0.001 0.000 0.547 93 V N 6.093 125.943 119.914 -0.105 0.000 2.275 93 V HA 0.375 4.504 4.120 -0.313 -0.197 0.272 93 V C -1.081 174.988 176.094 -0.042 0.000 1.028 93 V CA -1.705 60.501 62.300 -0.157 0.000 0.810 93 V CB 0.394 32.166 31.823 -0.085 0.000 1.043 93 V HN 0.053 8.223 8.190 -0.033 0.000 0.453 94 K N 8.591 128.935 120.400 -0.093 0.000 2.338 94 K HA 0.178 4.675 4.320 -0.014 -0.185 0.290 94 K C -0.305 176.321 176.600 0.044 0.000 1.069 94 K CA 0.385 56.648 56.287 -0.041 0.000 0.941 94 K CB 0.386 32.831 32.500 -0.091 0.000 1.023 94 K HN 0.330 8.469 8.250 -0.184 0.000 0.477 95 V N 2.103 122.062 119.914 0.075 0.000 3.548 95 V HA 0.318 4.529 4.120 0.151 0.000 0.279 95 V C -2.187 173.944 176.094 0.060 0.000 1.446 95 V CA -0.958 61.406 62.300 0.107 0.000 1.023 95 V CB 1.334 33.224 31.823 0.110 0.000 0.820 95 V HN 0.445 8.670 8.190 0.057 0.000 0.438 96 L N -1.238 120.005 121.223 0.034 0.000 2.362 96 L HA 0.388 4.952 4.340 0.010 -0.218 0.271 96 L C -0.010 176.859 176.870 -0.002 0.000 1.002 96 L CA -1.519 53.327 54.840 0.009 0.000 0.818 96 L CB 2.541 44.595 42.059 -0.008 0.000 1.298 96 L HN -0.612 7.638 8.230 0.033 0.000 0.420 97 G N 0.217 109.011 108.800 -0.009 0.000 2.525 97 G HA2 0.321 4.271 3.960 -0.017 0.000 0.287 97 G HA3 0.321 4.272 3.960 -0.014 0.000 0.287 97 G C -0.089 174.798 174.900 -0.021 0.000 1.350 97 G CA -1.190 43.901 45.100 -0.016 0.000 1.039 97 G HN 0.530 8.715 8.290 -0.009 0.100 0.513 98 A N -0.666 122.141 122.820 -0.022 0.000 2.019 98 A HA -0.254 4.052 4.320 -0.023 0.000 0.219 98 A C 1.401 178.973 177.584 -0.019 0.000 1.164 98 A CA 2.849 54.873 52.037 -0.022 0.000 0.644 98 A CB -0.109 18.877 19.000 -0.022 0.000 0.805 98 A HN 0.042 8.487 8.150 -0.021 -0.308 0.449 99 S N -5.117 110.571 115.700 -0.020 0.000 2.515 99 S HA -0.189 4.270 4.470 -0.017 0.000 0.231 99 S C 1.417 175.995 174.600 -0.036 0.000 0.987 99 S CA 0.912 59.099 58.200 -0.022 0.000 0.936 99 S CB -0.554 62.634 63.200 -0.019 0.000 0.766 99 S HN -0.015 8.252 8.310 -0.020 0.031 0.528 100 G N 1.252 110.023 108.800 -0.048 0.000 2.258 100 G HA2 -0.345 3.550 3.960 -0.109 0.000 0.233 100 G HA3 -0.345 3.551 3.960 -0.107 0.000 0.233 100 G C -0.696 174.151 174.900 -0.088 0.000 1.006 100 G CA 0.136 45.181 45.100 -0.091 0.000 0.620 100 G HN 0.139 8.230 8.290 -0.039 0.176 0.511 101 S N 1.963 117.632 115.700 -0.053 0.000 2.745 101 S HA 0.375 4.814 4.470 -0.052 0.000 0.292 101 S C -0.997 173.592 174.600 -0.019 0.000 1.133 101 S CA -0.839 57.337 58.200 -0.040 0.000 0.998 101 S CB 2.230 65.413 63.200 -0.028 0.000 1.087 101 S HN -0.439 7.782 8.310 -0.043 0.063 0.551 102 G N -1.050 107.746 108.800 -0.008 0.000 2.645 102 G HA2 0.434 4.400 3.960 0.009 0.000 0.292 102 G HA3 0.434 4.547 3.960 0.015 -0.144 0.292 102 G C -2.019 172.890 174.900 0.015 0.000 1.415 102 G CA -0.006 45.099 45.100 0.009 0.000 0.785 102 G HN -0.109 8.175 8.290 -0.010 0.000 0.483 103 S N -1.200 114.514 115.700 0.023 0.000 2.621 103 S HA 0.558 5.039 4.470 0.018 0.000 0.302 103 S C 1.566 176.181 174.600 0.025 0.000 1.093 103 S CA -1.524 56.689 58.200 0.022 0.000 1.017 103 S CB 2.932 66.144 63.200 0.021 0.000 1.077 103 S HN 0.024 8.352 8.310 0.029 0.000 0.517 104 V N -0.224 119.703 119.914 0.022 0.000 2.490 104 V HA -0.316 3.824 4.120 0.034 0.000 0.250 104 V C 1.126 177.227 176.094 0.012 0.000 1.061 104 V CA 3.275 65.589 62.300 0.024 0.000 1.064 104 V CB -0.634 31.203 31.823 0.024 0.000 0.670 104 V HN 0.335 8.536 8.190 0.019 0.000 0.461 105 S N 0.189 115.894 115.700 0.008 0.000 2.368 105 S HA -0.224 4.237 4.470 -0.014 0.000 0.224 105 S C 2.309 176.904 174.600 -0.008 0.000 1.029 105 S CA 3.611 61.810 58.200 -0.003 0.000 0.988 105 S CB -0.729 62.474 63.200 0.006 0.000 0.838 105 S HN -0.185 8.117 8.310 0.012 0.015 0.462 106 S N 4.527 120.242 115.700 0.025 0.000 2.383 106 S HA -0.119 4.566 4.470 0.065 -0.176 0.227 106 S C 2.348 176.959 174.600 0.018 0.000 1.026 106 S CA 3.656 61.890 58.200 0.057 0.000 0.981 106 S CB -0.520 62.736 63.200 0.093 0.000 0.818 106 S HN -0.486 7.843 8.310 0.031 0.000 0.472 107 I N 0.904 121.487 120.570 0.021 0.000 2.226 107 I HA -0.509 3.684 4.170 0.038 0.000 0.245 107 I C 1.159 177.262 176.117 -0.023 0.000 1.100 107 I CA 4.144 65.457 61.300 0.021 0.000 1.374 107 I CB -0.340 37.686 38.000 0.044 0.000 1.057 107 I HN -0.258 7.969 8.210 0.027 0.000 0.413 108 A N -0.329 122.468 122.820 -0.038 0.000 1.908 108 A HA -0.425 3.870 4.320 -0.042 0.000 0.218 108 A C 2.012 179.505 177.584 -0.152 0.000 1.181 108 A CA 3.264 55.262 52.037 -0.065 0.000 0.627 108 A CB -0.857 18.112 19.000 -0.052 0.000 0.818 108 A HN -0.047 8.090 8.150 -0.022 0.000 0.445 109 Q N -1.717 117.926 119.800 -0.261 0.000 2.124 109 Q HA -0.379 3.705 4.340 -0.427 0.000 0.202 109 Q C 2.871 178.382 176.000 -0.816 0.000 0.977 109 Q CA 3.036 58.491 55.803 -0.580 0.000 0.850 109 Q CB -0.023 28.253 28.738 -0.769 0.000 0.901 109 Q HN -0.006 8.143 8.270 -0.201 0.000 0.429 110 G N -0.541 107.951 108.800 -0.514 0.000 2.408 110 G HA2 -0.265 3.625 3.960 -0.117 0.000 0.217 110 G HA3 -0.265 3.708 3.960 0.023 0.000 0.217 110 G C 0.970 175.898 174.900 0.047 0.000 1.150 110 G CA 1.755 46.775 45.100 -0.134 0.000 0.776 110 G HN -0.321 7.755 8.290 -0.357 0.000 0.542 111 L N 1.093 122.313 121.223 -0.005 0.000 2.056 111 L HA -0.418 3.967 4.340 0.075 0.000 0.207 111 L C 2.266 179.145 176.870 0.015 0.000 1.078 111 L CA 3.086 57.946 54.840 0.032 0.000 0.749 111 L CB -0.231 41.835 42.059 0.012 0.000 0.901 111 L HN -0.248 7.954 8.230 -0.047 0.000 0.433 112 E N -1.405 118.769 120.200 -0.042 0.000 2.110 112 E HA -0.315 4.007 4.350 -0.047 0.000 0.193 112 E C 2.404 178.999 176.600 -0.009 0.000 0.988 112 E CA 2.845 59.216 56.400 -0.048 0.000 0.804 112 E CB -0.509 29.142 29.700 -0.082 0.000 0.745 112 E HN -0.146 8.162 8.360 -0.086 0.000 0.458 113 W N 1.310 122.524 121.300 -0.144 0.000 2.338 113 W HA -0.410 4.243 4.660 -0.011 0.000 0.304 113 W C 1.364 177.862 176.519 -0.035 0.000 1.212 113 W CA 3.987 61.312 57.345 -0.033 0.000 1.264 113 W CB -0.035 29.495 29.460 0.117 0.000 1.142 113 W HN -0.065 8.164 8.180 0.081 0.000 0.512 114 A N -3.222 119.747 122.820 0.247 0.000 1.908 114 A HA -0.441 3.906 4.320 0.046 0.000 0.218 114 A C 1.944 179.424 177.584 -0.172 0.000 1.181 114 A CA 2.933 55.008 52.037 0.063 0.000 0.627 114 A CB -0.878 18.218 19.000 0.160 0.000 0.818 114 A HN -0.202 8.151 8.150 0.339 0.000 0.445 115 G N -4.271 104.459 108.800 -0.117 0.000 2.484 115 G HA2 -0.208 3.674 3.960 -0.131 0.000 0.218 115 G HA3 -0.208 3.694 3.960 -0.097 0.000 0.218 115 G C 0.800 175.582 174.900 -0.196 0.000 1.130 115 G CA 0.969 45.987 45.100 -0.136 0.000 0.784 115 G HN -0.345 7.908 8.290 -0.062 0.000 0.543 116 N N -1.311 117.230 118.700 -0.264 0.000 2.336 116 N HA 0.006 4.615 4.740 -0.218 0.000 0.189 116 N C -0.373 174.879 175.510 -0.430 0.000 1.113 116 N CA 0.697 53.573 53.050 -0.290 0.000 0.858 116 N CB 0.789 39.135 38.487 -0.236 0.000 0.970 116 N HN -0.427 7.656 8.380 -0.270 0.135 0.471 117 N N -2.275 116.056 118.700 -0.617 0.000 2.241 117 N HA 0.127 4.517 4.740 -0.582 0.000 0.238 117 N C -0.617 174.542 175.510 -0.585 0.000 1.244 117 N CA -0.548 52.046 53.050 -0.760 0.000 0.880 117 N CB 1.603 39.181 38.487 -1.515 0.000 1.179 117 N HN -0.815 7.152 8.380 -0.585 0.061 0.513 118 G N -0.564 107.976 108.800 -0.433 0.000 2.136 118 G HA2 -0.360 3.403 3.960 -0.328 0.000 0.242 118 G HA3 -0.360 3.384 3.960 -0.359 0.000 0.242 118 G C -0.079 174.514 174.900 -0.511 0.000 0.989 118 G CA 0.353 45.218 45.100 -0.392 0.000 0.682 118 G HN -0.462 7.592 8.290 -0.393 0.000 0.522 119 M N -1.358 117.988 119.600 -0.425 0.000 2.245 119 M HA -0.151 4.117 4.480 -0.354 0.000 0.344 119 M C -0.091 176.009 176.300 -0.334 0.000 1.170 119 M CA -0.578 54.525 55.300 -0.329 0.000 1.135 119 M CB -0.509 32.020 32.600 -0.118 0.000 1.574 119 M HN -0.741 7.312 8.290 -0.395 0.000 0.452 120 H N 0.132 119.212 119.070 0.016 0.000 2.520 120 H HA 0.114 4.686 4.556 0.027 0.000 0.279 120 H C 0.438 175.801 175.328 0.058 0.000 0.990 120 H CA 1.998 58.068 56.048 0.037 0.000 1.288 120 H CB 1.773 31.563 29.762 0.047 0.000 1.446 120 H HN 0.254 8.448 8.280 -0.144 0.000 0.538 121 V N -2.567 117.448 119.914 0.169 0.000 2.841 121 V HA 0.472 4.841 4.120 0.130 -0.171 0.310 121 V C -2.438 173.732 176.094 0.127 0.000 1.090 121 V CA -1.792 60.593 62.300 0.142 0.000 0.930 121 V CB 3.559 35.469 31.823 0.146 0.000 1.014 121 V HN -0.548 7.737 8.190 0.159 0.000 0.425 122 A N 5.314 128.203 122.820 0.115 0.000 2.335 122 A HA 0.655 5.230 4.320 0.137 -0.173 0.304 122 A C -2.577 175.074 177.584 0.112 0.000 1.118 122 A CA -1.904 50.206 52.037 0.121 0.000 0.757 122 A CB 3.186 22.255 19.000 0.115 0.000 1.188 122 A HN 0.864 9.079 8.150 0.108 0.000 0.460 123 N N 3.791 122.558 118.700 0.112 0.000 2.422 123 N HA 0.430 5.366 4.740 0.099 -0.137 0.266 123 N C -1.479 174.094 175.510 0.105 0.000 1.007 123 N CA -0.366 52.745 53.050 0.101 0.000 0.941 123 N CB 2.246 40.786 38.487 0.088 0.000 1.115 123 N HN 0.464 8.916 8.380 0.119 0.000 0.492 124 L N 7.365 128.652 121.223 0.106 0.000 2.435 124 L HA 0.444 4.851 4.340 0.113 0.000 0.253 124 L C -1.054 175.887 176.870 0.119 0.000 1.087 124 L CA -0.986 53.920 54.840 0.110 0.000 0.950 124 L CB 0.476 42.598 42.059 0.105 0.000 1.304 124 L HN 0.450 8.741 8.230 0.102 0.000 0.453 125 S N 5.619 121.406 115.700 0.146 0.000 4.087 125 S HA 0.053 4.615 4.470 0.153 0.000 0.213 125 S C -1.149 173.576 174.600 0.209 0.000 1.415 125 S CA 0.411 58.723 58.200 0.186 0.000 0.893 125 S CB -1.900 61.425 63.200 0.209 0.000 1.529 125 S HN 0.415 8.814 8.310 0.148 0.000 0.457 126 L N -1.631 119.667 121.223 0.125 0.000 2.869 126 L HA 0.408 4.781 4.340 0.055 0.000 0.265 126 L C -2.021 174.889 176.870 0.067 0.000 1.011 126 L CA -0.453 54.433 54.840 0.076 0.000 0.913 126 L CB 2.641 44.738 42.059 0.063 0.000 1.490 126 L HN -0.650 7.608 8.230 0.115 0.042 0.410 127 G N -1.578 107.252 108.800 0.049 0.000 2.338 127 G HA2 -0.006 4.147 3.960 0.073 0.000 0.295 127 G HA3 -0.006 3.983 3.960 0.050 0.000 0.295 127 G C -2.210 172.721 174.900 0.052 0.000 1.461 127 G CA 0.309 45.443 45.100 0.057 0.000 0.817 127 G HN -0.509 7.801 8.290 0.034 0.000 0.556 128 S N -1.823 113.922 115.700 0.076 0.000 2.588 128 S HA 0.577 5.077 4.470 0.050 0.000 0.275 128 S C -1.882 172.787 174.600 0.115 0.000 1.130 128 S CA -2.819 55.426 58.200 0.075 0.000 0.855 128 S CB 1.327 64.569 63.200 0.070 0.000 1.116 128 S HN 0.136 8.505 8.310 0.098 0.000 0.472 129 P HA 0.101 4.591 4.420 0.117 0.000 0.226 129 P C -0.557 176.856 177.300 0.188 0.000 1.153 129 P CA 0.428 63.599 63.100 0.118 0.000 0.777 129 P CB 0.252 31.985 31.700 0.055 0.000 0.794 130 S N 0.732 116.480 115.700 0.080 0.000 2.565 130 S HA 0.412 4.821 4.470 -0.101 0.000 0.290 130 S C -2.103 172.271 174.600 -0.377 0.000 1.150 130 S CA -1.714 56.430 58.200 -0.093 0.000 1.058 130 S CB 0.428 63.585 63.200 -0.072 0.000 1.032 130 S HN -0.551 7.746 8.310 0.070 0.055 0.510 131 P HA -0.066 3.559 4.420 -1.325 0.000 0.274 131 P C -1.583 175.569 177.300 -0.247 0.000 1.246 131 P CA -0.271 62.300 63.100 -0.882 0.000 0.795 131 P CB 0.886 32.121 31.700 -0.776 0.000 1.006 132 S N -0.716 114.970 115.700 -0.024 0.000 2.668 132 S HA 0.220 4.677 4.470 -0.023 0.000 0.277 132 S C 0.527 175.145 174.600 0.029 0.000 1.170 132 S CA -0.420 57.790 58.200 0.017 0.000 0.994 132 S CB 1.317 64.543 63.200 0.044 0.000 1.051 132 S HN 0.049 8.429 8.310 0.117 0.000 0.484 133 A N 8.178 130.989 122.820 -0.016 0.000 1.902 133 A HA -0.001 4.279 4.320 -0.068 0.000 0.217 133 A C 2.111 179.662 177.584 -0.056 0.000 1.181 133 A CA 2.902 54.911 52.037 -0.046 0.000 0.623 133 A CB -0.080 18.897 19.000 -0.039 0.000 0.818 133 A HN 0.601 8.739 8.150 -0.020 0.000 0.443 134 T N 1.977 116.513 114.554 -0.031 0.000 2.684 134 T HA -0.372 3.956 4.350 -0.037 0.000 0.267 134 T C 1.530 176.212 174.700 -0.031 0.000 1.036 134 T CA 4.994 67.076 62.100 -0.030 0.000 1.148 134 T CB -0.270 68.588 68.868 -0.015 0.000 0.863 134 T HN -0.139 8.088 8.240 -0.022 0.000 0.436 135 L N 1.109 122.332 121.223 0.000 0.000 2.027 135 L HA -0.252 4.103 4.340 0.025 0.000 0.206 135 L C 1.002 177.843 176.870 -0.047 0.000 1.074 135 L CA 3.073 57.931 54.840 0.031 0.000 0.745 135 L CB -0.300 41.839 42.059 0.132 0.000 0.898 135 L HN -0.549 7.690 8.230 0.015 0.000 0.433 136 E N -1.078 119.006 120.200 -0.194 0.000 2.051 136 E HA -0.533 3.381 4.350 -0.728 0.000 0.192 136 E C 1.888 178.317 176.600 -0.284 0.000 0.991 136 E CA 3.553 59.627 56.400 -0.543 0.000 0.799 136 E CB -0.127 29.076 29.700 -0.829 0.000 0.748 136 E HN -0.281 7.999 8.360 -0.134 0.000 0.449 137 Q N -0.664 119.032 119.800 -0.174 0.000 2.096 137 Q HA -0.322 3.946 4.340 -0.119 0.000 0.204 137 Q C 2.252 178.200 176.000 -0.087 0.000 0.982 137 Q CA 3.139 58.873 55.803 -0.114 0.000 0.850 137 Q CB -0.108 28.581 28.738 -0.081 0.000 0.901 137 Q HN -0.326 7.849 8.270 -0.159 0.000 0.422 138 A N -0.299 122.478 122.820 -0.072 0.000 1.929 138 A HA -0.152 4.308 4.320 -0.050 -0.170 0.216 138 A C 2.144 179.707 177.584 -0.035 0.000 1.176 138 A CA 2.642 54.650 52.037 -0.049 0.000 0.628 138 A CB -0.492 18.484 19.000 -0.040 0.000 0.816 138 A HN -0.637 7.469 8.150 -0.073 0.000 0.444 139 V N -0.774 119.118 119.914 -0.036 0.000 2.287 139 V HA -0.540 3.592 4.120 0.020 0.000 0.248 139 V C 2.063 178.143 176.094 -0.023 0.000 1.053 139 V CA 4.192 66.487 62.300 -0.007 0.000 1.027 139 V CB -0.860 30.973 31.823 0.016 0.000 0.646 139 V HN -0.033 8.126 8.190 -0.053 0.000 0.447 140 N N -1.037 117.626 118.700 -0.061 0.000 2.142 140 N HA -0.320 4.400 4.740 -0.033 0.000 0.186 140 N C 2.085 177.574 175.510 -0.035 0.000 1.023 140 N CA 3.115 56.136 53.050 -0.049 0.000 0.852 140 N CB -0.740 37.703 38.487 -0.073 0.000 0.998 140 N HN -0.125 8.199 8.380 -0.094 0.000 0.424 141 S N 1.740 117.416 115.700 -0.041 0.000 2.356 141 S HA -0.217 4.231 4.470 -0.036 0.000 0.223 141 S C 1.680 176.262 174.600 -0.030 0.000 1.032 141 S CA 3.306 61.483 58.200 -0.037 0.000 1.005 141 S CB -0.457 62.717 63.200 -0.043 0.000 0.867 141 S HN -0.103 8.177 8.310 -0.049 0.000 0.449 142 A N 1.148 123.955 122.820 -0.023 0.000 1.908 142 A HA -0.343 3.961 4.320 -0.028 0.000 0.218 142 A C 2.217 179.797 177.584 -0.007 0.000 1.181 142 A CA 3.218 55.246 52.037 -0.015 0.000 0.627 142 A CB -0.818 18.185 19.000 0.005 0.000 0.818 142 A HN -0.082 8.055 8.150 -0.022 0.000 0.445 143 T N 1.312 115.868 114.554 0.002 0.000 2.746 143 T HA -0.290 4.277 4.350 0.021 -0.204 0.267 143 T C 2.798 177.500 174.700 0.003 0.000 1.039 143 T CA 4.635 66.741 62.100 0.011 0.000 1.142 143 T CB -0.382 68.495 68.868 0.015 0.000 0.866 143 T HN -0.292 7.948 8.240 0.000 0.000 0.444 144 S N 1.549 117.244 115.700 -0.009 0.000 2.419 144 S HA -0.153 4.312 4.470 -0.008 0.000 0.233 144 S C 1.355 175.946 174.600 -0.016 0.000 1.016 144 S CA 2.510 60.702 58.200 -0.012 0.000 0.974 144 S CB -0.411 62.777 63.200 -0.021 0.000 0.786 144 S HN -0.253 8.049 8.310 -0.013 0.000 0.492 145 R N -1.297 119.189 120.500 -0.024 0.000 2.335 145 R HA 0.154 4.473 4.340 -0.036 0.000 0.223 145 R C 0.363 176.646 176.300 -0.028 0.000 0.940 145 R CA -1.846 54.232 56.100 -0.036 0.000 1.086 145 R CB -0.584 29.679 30.300 -0.062 0.000 1.073 145 R HN -0.657 7.471 8.270 -0.024 0.127 0.504 146 G N -2.189 106.610 108.800 -0.001 0.000 2.157 146 G HA2 -0.323 3.660 3.960 0.039 0.000 0.248 146 G HA3 -0.323 3.655 3.960 0.029 0.000 0.248 146 G C -0.483 174.442 174.900 0.041 0.000 0.979 146 G CA -0.136 44.980 45.100 0.027 0.000 0.650 146 G HN -0.426 7.677 8.290 0.001 0.188 0.529 147 V N 1.870 121.797 119.914 0.021 0.000 2.530 147 V HA -0.135 4.136 4.120 0.046 -0.124 0.282 147 V C -1.020 175.112 176.094 0.064 0.000 1.048 147 V CA -0.250 62.073 62.300 0.038 0.000 0.997 147 V CB 0.027 31.862 31.823 0.020 0.000 0.987 147 V HN -0.419 7.726 8.190 0.006 0.049 0.477 148 L N 8.963 130.240 121.223 0.090 0.000 2.283 148 L HA 0.241 4.631 4.340 0.082 0.000 0.287 148 L C -1.829 175.095 176.870 0.091 0.000 1.073 148 L CA -1.136 53.760 54.840 0.092 0.000 0.822 148 L CB 0.882 43.007 42.059 0.109 0.000 1.186 148 L HN 0.187 8.480 8.230 0.105 0.000 0.436 149 V N 8.919 128.883 119.914 0.083 0.000 2.432 149 V HA 0.173 4.496 4.120 0.090 -0.150 0.271 149 V C -1.098 175.050 176.094 0.090 0.000 1.046 149 V CA -0.244 62.109 62.300 0.087 0.000 0.945 149 V CB 0.117 31.991 31.823 0.085 0.000 0.992 149 V HN 0.319 8.555 8.190 0.077 0.000 0.471 150 V N 8.623 128.593 119.914 0.093 0.000 2.409 150 V HA 0.531 4.865 4.120 0.085 -0.163 0.291 150 V C -2.145 174.003 176.094 0.090 0.000 1.020 150 V CA -1.892 60.462 62.300 0.089 0.000 0.848 150 V CB 1.231 33.109 31.823 0.091 0.000 0.990 150 V HN 0.579 8.827 8.190 0.096 0.000 0.430 151 A N 6.360 129.230 122.820 0.083 0.000 2.498 151 A HA 0.867 5.444 4.320 0.091 -0.203 0.298 151 A C -2.564 175.064 177.584 0.073 0.000 1.075 151 A CA -2.320 49.766 52.037 0.082 0.000 0.714 151 A CB 4.530 23.577 19.000 0.079 0.000 1.299 151 A HN 0.794 8.990 8.150 0.077 0.000 0.407 152 A N 0.502 123.371 122.820 0.081 0.000 2.401 152 A HA 0.456 4.961 4.320 0.093 -0.130 0.259 152 A C 0.409 178.027 177.584 0.057 0.000 1.103 152 A CA -1.044 51.044 52.037 0.086 0.000 0.789 152 A CB 0.903 19.968 19.000 0.109 0.000 1.035 152 A HN -0.266 7.937 8.150 0.088 0.000 0.491 153 S N 0.663 116.398 115.700 0.058 0.000 2.453 153 S HA -0.166 4.295 4.470 -0.016 0.000 0.231 153 S C 0.354 174.969 174.600 0.024 0.000 1.005 153 S CA 1.157 59.369 58.200 0.021 0.000 0.949 153 S CB 0.606 63.823 63.200 0.028 0.000 0.774 153 S HN 0.050 8.407 8.310 0.078 0.000 0.510 154 G N 1.138 109.981 108.800 0.072 0.000 2.515 154 G HA2 -0.278 3.725 3.960 0.072 0.000 0.686 154 G HA3 -0.278 3.847 3.960 0.045 -0.138 0.686 154 G C -1.909 173.075 174.900 0.140 0.000 1.274 154 G CA -0.198 44.948 45.100 0.076 0.000 0.874 154 G HN -0.511 7.805 8.290 0.097 0.033 0.631 155 N N -0.575 118.198 118.700 0.123 0.000 2.275 155 N HA 0.412 5.534 4.740 0.370 -0.159 0.236 155 N C 0.039 175.646 175.510 0.162 0.000 1.154 155 N CA -1.029 52.135 53.050 0.189 0.000 0.866 155 N CB 0.468 38.957 38.487 0.004 0.000 1.093 155 N HN 0.208 8.634 8.380 0.077 0.000 0.515 156 S N -2.705 113.060 115.700 0.108 0.000 2.527 156 S HA 0.136 4.650 4.470 0.073 0.000 0.222 156 S C 1.280 175.935 174.600 0.092 0.000 0.985 156 S CA 0.788 59.034 58.200 0.077 0.000 0.921 156 S CB 0.247 63.466 63.200 0.032 0.000 0.772 156 S HN -0.263 8.398 8.310 0.091 -0.297 0.529 157 G N 1.978 110.853 108.800 0.125 0.000 2.179 157 G HA2 -0.433 3.721 3.960 0.149 0.000 0.260 157 G HA3 -0.433 3.599 3.960 0.120 0.000 0.260 157 G C -0.793 174.157 174.900 0.084 0.000 0.977 157 G CA -0.013 45.162 45.100 0.125 0.000 0.641 157 G HN -0.198 8.129 8.290 0.150 0.053 0.533 164 S N -1.335 114.111 115.700 -0.423 0.000 2.569 164 S HA 0.469 4.833 4.470 -0.260 -0.050 0.280 164 S C -1.291 173.169 174.600 -0.233 0.000 1.111 164 S CA -0.710 57.330 58.200 -0.267 0.000 0.887 164 S CB 3.029 66.125 63.200 -0.172 0.000 1.095 164 S HN -0.593 7.378 8.310 -0.404 0.096 0.476 165 I N -5.106 115.329 120.570 -0.225 0.000 2.707 165 I HA 0.513 4.587 4.170 -0.160 0.000 0.309 165 I C -0.398 175.545 176.117 -0.290 0.000 1.001 165 I CA -2.249 58.925 61.300 -0.209 0.000 1.129 165 I CB 2.405 40.299 38.000 -0.177 0.000 1.308 165 I HN 0.295 8.364 8.210 -0.235 0.000 0.466 166 S N 1.381 116.957 115.700 -0.207 0.000 2.608 166 S HA 0.083 4.468 4.470 -0.143 0.000 0.261 166 S C -0.828 173.553 174.600 -0.364 0.000 1.314 166 S CA 0.899 58.991 58.200 -0.179 0.000 0.992 166 S CB 0.850 64.023 63.200 -0.045 0.000 0.935 166 S HN -0.061 8.164 8.310 -0.142 0.000 0.564 167 Y N -0.395 119.825 120.300 -0.134 0.000 2.361 167 Y HA 0.205 4.624 4.550 -0.298 -0.048 0.332 167 Y C -1.155 174.715 175.900 -0.051 0.000 1.101 167 Y CA -2.176 55.804 58.100 -0.199 0.000 1.137 167 Y CB 0.284 38.592 38.460 -0.254 0.000 1.207 167 Y HN 0.313 8.671 8.280 0.129 0.000 0.463 168 P HA 0.097 4.620 4.420 0.172 0.000 0.255 168 P C -0.160 177.152 177.300 0.020 0.000 1.248 168 P CA 0.714 63.921 63.100 0.178 0.000 0.807 168 P CB 0.058 31.949 31.700 0.319 0.000 1.150 169 A N 0.562 123.347 122.820 -0.059 0.000 1.986 169 A HA -0.359 3.961 4.320 0.001 0.000 0.220 169 A C 0.941 178.424 177.584 -0.169 0.000 1.171 169 A CA 2.650 54.645 52.037 -0.071 0.000 0.640 169 A CB -0.747 18.215 19.000 -0.064 0.000 0.811 169 A HN 0.187 8.252 8.150 -0.046 0.058 0.451 170 R N -3.519 116.718 120.500 -0.439 0.000 2.152 170 R HA -0.264 3.860 4.340 -0.360 0.000 0.232 170 R C 1.064 177.209 176.300 -0.259 0.000 1.117 170 R CA 0.998 56.787 56.100 -0.519 0.000 0.981 170 R CB 0.182 29.788 30.300 -1.157 0.000 0.870 170 R HN -0.567 7.336 8.270 -0.571 0.025 0.451 171 Y N -1.439 118.850 120.300 -0.019 0.000 2.578 171 Y HA -0.185 4.414 4.550 0.081 0.000 0.339 171 Y C 1.204 177.120 175.900 0.027 0.000 1.231 171 Y CA -0.515 57.619 58.100 0.056 0.000 1.461 171 Y CB -0.062 38.456 38.460 0.096 0.000 1.323 171 Y HN -0.655 7.429 8.280 -0.272 0.034 0.590 172 A N 4.935 127.888 122.820 0.223 0.000 1.940 172 A HA -0.353 4.022 4.320 0.091 0.000 0.219 172 A C 1.286 178.931 177.584 0.101 0.000 1.176 172 A CA 2.925 55.033 52.037 0.119 0.000 0.631 172 A CB -0.156 18.898 19.000 0.092 0.000 0.814 172 A HN 0.477 8.790 8.150 0.272 0.000 0.446 173 N N -4.513 114.254 118.700 0.112 0.000 2.370 173 N HA -0.025 4.755 4.740 0.065 0.000 0.198 173 N C -1.821 173.746 175.510 0.096 0.000 1.156 173 N CA -0.311 52.787 53.050 0.080 0.000 0.839 173 N CB -0.416 38.099 38.487 0.046 0.000 0.989 173 N HN 0.195 8.637 8.380 0.136 0.019 0.468 174 A N -1.976 120.918 122.820 0.123 0.000 2.337 174 A HA 0.429 4.942 4.320 0.100 -0.133 0.329 174 A C -2.170 175.461 177.584 0.078 0.000 1.146 174 A CA -1.780 50.322 52.037 0.108 0.000 0.800 174 A CB 2.727 21.806 19.000 0.132 0.000 1.220 174 A HN -0.477 7.582 8.150 0.145 0.178 0.472 175 M N 3.772 123.416 119.600 0.073 0.000 2.077 175 M HA 0.157 4.846 4.480 0.056 -0.175 0.348 175 M C -1.715 174.619 176.300 0.057 0.000 1.252 175 M CA -0.631 54.707 55.300 0.063 0.000 1.096 175 M CB 1.758 34.400 32.600 0.070 0.000 1.568 175 M HN 0.358 8.695 8.290 0.079 0.000 0.456 176 A N 7.544 130.389 122.820 0.041 0.000 2.301 176 A HA 0.760 5.289 4.320 0.033 -0.190 0.298 176 A C -1.359 176.252 177.584 0.044 0.000 1.185 176 A CA -1.780 50.275 52.037 0.030 0.000 0.830 176 A CB 1.672 20.669 19.000 -0.005 0.000 1.112 176 A HN 0.733 9.256 8.150 0.037 -0.352 0.508 177 V N 4.188 124.136 119.914 0.056 0.000 2.444 177 V HA 0.751 5.133 4.120 0.068 -0.221 0.294 177 V C -0.134 176.007 176.094 0.080 0.000 1.022 177 V CA -2.177 60.166 62.300 0.072 0.000 0.850 177 V CB 1.985 33.859 31.823 0.085 0.000 0.992 177 V HN 0.163 8.386 8.190 0.056 0.000 0.426 178 G N 5.551 114.398 108.800 0.078 0.000 2.531 178 G HA2 0.639 4.657 3.960 0.096 0.000 0.313 178 G HA3 0.639 4.638 3.960 0.065 0.000 0.313 178 G C -2.838 172.115 174.900 0.090 0.000 1.238 178 G CA -2.074 43.076 45.100 0.083 0.000 0.994 178 G HN 0.394 8.728 8.290 0.074 0.000 0.493 179 A N -1.461 121.406 122.820 0.078 0.000 2.330 179 A HA 1.164 5.767 4.320 0.092 -0.228 0.327 179 A C -0.924 176.673 177.584 0.021 0.000 1.155 179 A CA -2.292 49.792 52.037 0.080 0.000 0.803 179 A CB 3.205 22.312 19.000 0.178 0.000 1.208 179 A HN 0.123 8.305 8.150 0.054 0.000 0.477 180 T N -0.400 114.198 114.554 0.073 0.000 2.950 180 T HA 0.901 5.451 4.350 0.074 -0.155 0.288 180 T C -0.408 174.401 174.700 0.181 0.000 1.035 180 T CA -2.757 59.406 62.100 0.106 0.000 1.028 180 T CB 2.961 71.906 68.868 0.129 0.000 1.109 180 T HN 0.313 8.597 8.240 0.073 0.000 0.514 181 D N -0.366 120.125 120.400 0.151 0.000 2.549 181 D HA 0.292 5.098 4.640 0.277 0.000 0.270 181 D C 1.709 178.060 176.300 0.084 0.000 1.181 181 D CA -2.245 51.846 54.000 0.152 0.000 1.070 181 D CB 1.053 41.866 40.800 0.022 0.000 1.154 181 D HN 0.071 8.500 8.370 0.099 0.000 0.602 182 Q N -3.649 115.981 119.800 -0.284 0.000 2.437 182 Q HA -0.250 3.708 4.340 -0.638 0.000 0.210 182 Q C 0.996 176.874 176.000 -0.204 0.000 0.972 182 Q CA 3.176 58.650 55.803 -0.548 0.000 0.903 182 Q CB 0.026 28.301 28.738 -0.772 0.000 0.967 182 Q HN 0.330 8.423 8.270 -0.296 0.000 0.486 183 N N -0.715 117.917 118.700 -0.113 0.000 2.336 183 N HA -0.047 4.647 4.740 -0.076 0.000 0.189 183 N C -0.768 174.721 175.510 -0.035 0.000 1.113 183 N CA 0.222 53.231 53.050 -0.068 0.000 0.858 183 N CB 0.042 38.492 38.487 -0.061 0.000 0.970 183 N HN -0.515 7.971 8.380 -0.107 -0.170 0.471 184 N N -4.561 114.139 118.700 0.000 0.000 2.747 184 N HA -0.451 4.307 4.740 0.030 0.000 0.249 184 N C -1.796 173.698 175.510 -0.026 0.000 1.107 184 N CA 1.743 54.787 53.050 -0.010 0.000 0.707 184 N CB -2.107 36.347 38.487 -0.056 0.000 1.054 184 N HN -0.139 8.177 8.380 0.021 0.077 0.555 185 N N -1.940 116.782 118.700 0.036 0.000 2.466 185 N HA 0.149 4.995 4.740 0.177 0.000 0.294 185 N C -0.874 174.730 175.510 0.157 0.000 1.129 185 N CA -0.696 52.422 53.050 0.112 0.000 0.931 185 N CB 2.405 40.917 38.487 0.041 0.000 1.193 185 N HN -0.559 8.040 8.380 0.023 -0.204 0.500 186 R N 2.243 122.868 120.500 0.209 0.000 2.538 186 R HA -0.293 4.196 4.340 0.026 -0.134 0.282 186 R C -0.111 176.097 176.300 -0.152 0.000 1.009 186 R CA 0.986 57.060 56.100 -0.043 0.000 1.063 186 R CB 0.465 30.540 30.300 -0.375 0.000 0.945 186 R HN -0.116 8.348 8.270 0.323 0.000 0.414 187 A N 6.830 129.491 122.820 -0.265 0.000 2.498 187 A HA 0.045 4.171 4.320 -0.322 0.000 0.239 187 A C 1.088 178.352 177.584 -0.533 0.000 1.068 187 A CA 0.296 52.034 52.037 -0.498 0.000 0.766 187 A CB 1.330 19.726 19.000 -1.006 0.000 1.003 187 A HN 0.080 8.094 8.150 -0.228 0.000 0.497 188 S N 3.565 119.050 115.700 -0.358 0.000 2.400 188 S HA -0.368 4.021 4.470 -0.136 0.000 0.232 188 S C 1.861 176.401 174.600 -0.100 0.000 1.025 188 S CA 2.814 60.918 58.200 -0.161 0.000 0.993 188 S CB -0.250 62.934 63.200 -0.027 0.000 0.808 188 S HN 0.693 8.825 8.310 -0.295 0.000 0.478 189 F N -3.534 116.444 119.950 0.048 0.000 2.558 189 F HA -0.045 4.511 4.527 0.049 0.000 0.298 189 F C 0.048 175.885 175.800 0.062 0.000 1.119 189 F CA -2.235 55.796 58.000 0.051 0.000 1.451 189 F CB -1.045 37.983 39.000 0.046 0.000 1.091 189 F HN -0.492 7.439 8.300 -0.570 0.027 0.563 190 S N 3.178 118.785 115.700 -0.154 0.000 2.465 190 S HA 0.032 4.757 4.470 0.222 -0.122 0.280 190 S C 0.085 174.762 174.600 0.128 0.000 1.232 190 S CA -0.554 57.664 58.200 0.031 0.000 1.066 190 S CB 0.041 63.158 63.200 -0.137 0.000 0.929 190 S HN -0.388 7.472 8.310 -0.462 0.172 0.494 191 Q N 9.254 129.134 119.800 0.132 0.000 2.392 191 Q HA 0.311 4.851 4.340 0.047 -0.172 0.262 191 Q C -0.226 175.829 176.000 0.092 0.000 1.003 191 Q CA 1.060 56.898 55.803 0.059 0.000 0.888 191 Q CB 1.110 29.837 28.738 -0.018 0.000 1.260 191 Q HN -0.112 8.247 8.270 0.148 0.000 0.435 192 Y N -2.476 117.778 120.300 -0.077 0.000 2.818 192 Y HA 0.092 4.587 4.550 -0.092 0.000 0.322 192 Y C -2.064 173.787 175.900 -0.082 0.000 1.323 192 Y CA -1.758 56.283 58.100 -0.098 0.000 1.090 192 Y CB 2.090 40.459 38.460 -0.151 0.000 1.328 192 Y HN 0.003 8.054 8.280 -0.382 0.000 0.482 193 G N -2.724 106.110 108.800 0.057 0.000 2.378 193 G HA2 -0.306 4.144 3.960 0.058 0.000 0.198 193 G HA3 -0.306 3.729 3.960 -0.147 -0.163 0.198 193 G C -2.057 172.827 174.900 -0.028 0.000 1.223 193 G CA -0.621 44.462 45.100 -0.027 0.000 1.088 193 G HN -0.168 8.238 8.290 0.195 0.000 0.530 194 A N 1.195 123.983 122.820 -0.054 0.000 2.546 194 A HA -0.163 4.146 4.320 -0.018 0.000 0.243 194 A C 0.885 178.432 177.584 -0.062 0.000 1.063 194 A CA 1.432 53.444 52.037 -0.041 0.000 0.757 194 A CB -0.449 18.525 19.000 -0.043 0.000 0.991 194 A HN 0.300 8.407 8.150 -0.072 0.000 0.503 195 G N 1.956 110.734 108.800 -0.036 0.000 2.195 195 G HA2 -0.246 3.702 3.960 -0.021 0.000 0.246 195 G HA3 -0.246 3.671 3.960 -0.073 0.000 0.246 195 G C -0.540 174.344 174.900 -0.026 0.000 0.984 195 G CA -0.002 45.074 45.100 -0.041 0.000 0.633 195 G HN 0.115 8.394 8.290 -0.018 0.000 0.525 196 L N 0.491 121.705 121.223 -0.014 0.000 2.462 196 L HA -0.082 4.259 4.340 0.002 0.000 0.272 196 L C -1.007 175.879 176.870 0.028 0.000 1.166 196 L CA 0.774 55.620 54.840 0.010 0.000 0.880 196 L CB 0.603 42.679 42.059 0.029 0.000 1.142 196 L HN -0.639 7.512 8.230 -0.015 0.070 0.473 197 D N 5.229 125.650 120.400 0.034 0.000 2.394 197 D HA 0.105 4.767 4.640 0.038 0.000 0.226 197 D C -0.369 175.962 176.300 0.051 0.000 0.990 197 D CA 2.689 56.714 54.000 0.041 0.000 0.902 197 D CB 2.947 43.772 40.800 0.042 0.000 1.038 197 D HN 0.056 8.446 8.370 0.033 0.000 0.499 198 I N -4.352 116.254 120.570 0.060 0.000 3.033 198 I HA 0.237 4.448 4.170 0.069 0.000 0.306 198 I C -3.065 173.099 176.117 0.078 0.000 1.473 198 I CA -0.903 60.436 61.300 0.066 0.000 0.951 198 I CB 4.177 42.209 38.000 0.053 0.000 1.338 198 I HN -0.658 7.588 8.210 0.059 0.000 0.518 199 V N -2.166 117.797 119.914 0.082 0.000 3.102 199 V HA 1.000 5.327 4.120 0.080 -0.159 0.312 199 V C -2.627 173.490 176.094 0.037 0.000 1.135 199 V CA -3.505 58.846 62.300 0.084 0.000 1.022 199 V CB 4.006 35.920 31.823 0.152 0.000 1.056 199 V HN 0.391 8.624 8.190 0.072 0.000 0.436 200 A N -1.330 121.496 122.820 0.010 0.000 2.599 200 A HA 0.567 4.818 4.320 -0.115 0.000 0.290 200 A C -3.383 174.098 177.584 -0.172 0.000 1.101 200 A CA -1.821 50.154 52.037 -0.104 0.000 0.674 200 A CB 1.569 20.511 19.000 -0.095 0.000 1.277 200 A HN 0.391 8.562 8.150 0.034 0.000 0.419 201 P HA -0.056 4.460 4.420 -0.108 -0.160 0.264 201 P C -0.734 176.459 177.300 -0.179 0.000 1.193 201 P CA 0.516 63.373 63.100 -0.405 0.000 0.763 201 P CB 0.030 31.084 31.700 -1.076 0.000 0.810 202 G N 1.129 109.998 108.800 0.114 0.000 4.596 202 G HA2 0.252 4.342 3.960 0.217 0.000 0.276 202 G HA3 0.252 4.384 3.960 0.286 0.000 0.276 202 G C -2.437 172.699 174.900 0.392 0.000 1.013 202 G CA 0.700 45.952 45.100 0.253 0.000 0.778 202 G HN 0.476 8.883 8.290 0.195 0.000 0.389 203 V N 0.984 121.164 119.914 0.443 0.000 2.588 203 V HA 0.243 4.724 4.120 0.404 -0.119 0.304 203 V C -1.393 175.004 176.094 0.506 0.000 1.042 203 V CA -2.457 60.109 62.300 0.443 0.000 0.877 203 V CB 1.838 33.878 31.823 0.361 0.000 0.996 203 V HN -0.583 7.904 8.190 0.495 0.000 0.425 204 N N 2.308 121.217 118.700 0.349 0.000 2.727 204 N HA -0.414 4.467 4.740 0.236 0.000 0.251 204 N C -1.529 174.242 175.510 0.435 0.000 1.040 204 N CA 1.559 54.812 53.050 0.337 0.000 0.712 204 N CB -1.956 36.695 38.487 0.274 0.000 0.912 204 N HN 0.757 9.692 8.380 0.277 -0.389 0.545 205 V N 0.279 120.384 119.914 0.318 0.000 2.348 205 V HA 0.037 4.259 4.120 0.170 0.000 0.270 205 V C -1.024 175.237 176.094 0.277 0.000 1.037 205 V CA -1.192 61.253 62.300 0.242 0.000 0.872 205 V CB -0.558 31.407 31.823 0.235 0.000 1.002 205 V HN -0.435 7.922 8.190 0.278 0.000 0.464 206 Q N 8.911 128.820 119.800 0.181 0.000 2.261 206 Q HA 0.102 4.768 4.340 0.225 -0.191 0.252 206 Q C -1.277 174.708 176.000 -0.026 0.000 0.915 206 Q CA -0.356 55.536 55.803 0.148 0.000 0.915 206 Q CB 1.022 29.834 28.738 0.123 0.000 1.204 206 Q HN 0.341 8.705 8.270 0.158 0.000 0.421 207 S N 5.740 121.360 115.700 -0.133 0.000 2.672 207 S HA 0.309 4.679 4.470 -0.167 0.000 0.271 207 S C -1.673 172.880 174.600 -0.079 0.000 1.171 207 S CA -0.539 57.465 58.200 -0.325 0.000 0.817 207 S CB 2.831 65.455 63.200 -0.960 0.000 1.150 207 S HN 0.258 8.576 8.310 0.014 0.000 0.478 208 T N 0.419 114.878 114.554 -0.159 0.000 2.903 208 T HA 0.024 4.268 4.350 -0.394 -0.130 0.314 208 T C -1.110 173.544 174.700 -0.076 0.000 1.078 208 T CA 0.434 62.339 62.100 -0.325 0.000 1.114 208 T CB 0.488 68.948 68.868 -0.680 0.000 0.987 208 T HN 0.229 8.339 8.240 -0.217 0.000 0.548 209 Y N 1.675 121.851 120.300 -0.207 0.000 2.552 209 Y HA 0.344 4.897 4.550 0.004 0.000 0.337 209 Y C -2.735 173.188 175.900 0.038 0.000 1.094 209 Y CA -1.605 56.482 58.100 -0.021 0.000 1.028 209 Y CB 4.074 42.556 38.460 0.036 0.000 1.321 209 Y HN -0.068 8.142 8.280 -0.117 0.000 0.456 210 P HA -0.008 4.364 4.420 -0.080 0.000 0.270 210 P C -0.145 177.116 177.300 -0.065 0.000 1.227 210 P CA 0.817 63.804 63.100 -0.188 0.000 0.788 210 P CB 0.358 31.884 31.700 -0.290 0.000 0.926 211 G N -0.315 108.449 108.800 -0.060 0.000 2.137 211 G HA2 -0.480 3.449 3.960 -0.051 0.000 0.237 211 G HA3 -0.480 3.477 3.960 -0.004 0.000 0.237 211 G C -0.165 174.680 174.900 -0.092 0.000 1.002 211 G CA 0.038 45.112 45.100 -0.043 0.000 0.702 211 G HN 0.076 8.321 8.290 -0.075 0.000 0.515 212 S N -2.624 112.955 115.700 -0.201 0.000 3.631 212 S HA -0.406 3.503 4.470 -0.936 0.000 0.366 212 S C -0.352 174.034 174.600 -0.355 0.000 0.993 212 S CA 1.454 59.367 58.200 -0.478 0.000 1.167 212 S CB -0.935 62.048 63.200 -0.363 0.000 0.909 212 S HN 0.014 8.190 8.310 -0.157 0.039 0.478 213 T N -0.173 114.250 114.554 -0.218 0.000 2.591 213 T HA 0.379 4.582 4.350 -0.245 0.000 0.274 213 T C -2.440 171.942 174.700 -0.531 0.000 0.945 213 T CA -1.365 60.604 62.100 -0.219 0.000 1.087 213 T CB 2.034 70.925 68.868 0.038 0.000 1.416 213 T HN -0.388 7.796 8.240 -0.093 0.000 0.514 214 Y N -2.081 118.344 120.300 0.210 0.000 2.504 214 Y HA 0.672 5.504 4.550 0.168 -0.181 0.344 214 Y C -1.182 174.764 175.900 0.075 0.000 1.023 214 Y CA -1.323 56.864 58.100 0.147 0.000 1.020 214 Y CB 3.970 42.485 38.460 0.091 0.000 1.282 214 Y HN 0.027 8.399 8.280 0.154 0.000 0.454 215 A N 1.512 124.428 122.820 0.161 0.000 2.609 215 A HA 0.444 4.768 4.320 0.005 0.000 0.291 215 A C -2.822 174.846 177.584 0.139 0.000 1.096 215 A CA -1.107 50.923 52.037 -0.011 0.000 0.684 215 A CB 3.509 22.221 19.000 -0.479 0.000 1.282 215 A HN 0.574 8.855 8.150 0.218 0.000 0.412 216 S N -0.084 115.654 115.700 0.063 0.000 2.475 216 S HA 0.783 5.668 4.470 0.293 -0.239 0.298 216 S C -0.933 173.657 174.600 -0.018 0.000 1.119 216 S CA -0.732 57.549 58.200 0.135 0.000 1.085 216 S CB 0.864 64.133 63.200 0.115 0.000 1.028 216 S HN 0.143 8.442 8.310 -0.017 0.000 0.489 217 L N 2.128 123.323 121.223 -0.047 0.000 2.376 217 L HA 0.392 4.655 4.340 -0.130 0.000 0.258 217 L C -1.728 175.132 176.870 -0.017 0.000 1.013 217 L CA -0.982 53.759 54.840 -0.165 0.000 0.822 217 L CB 4.732 46.507 42.059 -0.474 0.000 1.388 217 L HN 0.197 8.482 8.230 0.091 0.000 0.413 218 N N 0.153 118.829 118.700 -0.040 0.000 2.314 218 N HA 0.643 5.611 4.740 0.134 -0.148 0.304 218 N C -0.422 174.991 175.510 -0.163 0.000 1.073 218 N CA -1.146 51.906 53.050 0.003 0.000 0.822 218 N CB 2.421 40.899 38.487 -0.016 0.000 1.280 218 N HN -0.003 8.325 8.380 -0.086 0.000 0.489 219 G N 1.368 110.140 108.800 -0.046 0.000 2.347 219 G HA2 -0.007 3.605 3.960 -0.580 0.000 0.303 219 G HA3 -0.007 3.873 3.960 -0.132 0.000 0.303 219 G C -0.246 174.802 174.900 0.247 0.000 1.481 219 G CA 0.723 45.745 45.100 -0.130 0.000 0.914 219 G HN 0.353 8.763 8.290 0.201 0.000 0.638 220 T N -1.016 113.719 114.554 0.301 0.000 2.977 220 T HA -0.305 4.211 4.350 0.277 0.000 0.271 220 T C 2.387 177.192 174.700 0.175 0.000 1.105 220 T CA 2.725 64.977 62.100 0.254 0.000 1.116 220 T CB -0.406 68.597 68.868 0.225 0.000 0.878 220 T HN -0.017 8.726 8.240 0.271 -0.341 0.509 221 S N 2.271 118.062 115.700 0.151 0.000 2.419 221 S HA -0.046 4.429 4.470 0.009 0.000 0.233 221 S C 1.278 175.931 174.600 0.089 0.000 1.016 221 S CA 1.982 60.262 58.200 0.134 0.000 0.974 221 S CB -0.326 62.992 63.200 0.198 0.000 0.786 221 S HN 0.174 nan 8.310 nan 0.000 0.492 222 M N -0.510 119.163 119.600 0.122 0.000 2.435 222 M HA -0.069 4.494 4.480 0.139 0.000 0.265 222 M C 0.948 177.403 176.300 0.258 0.000 1.104 222 M CA 0.812 56.212 55.300 0.167 0.000 1.140 222 M CB 0.362 33.079 32.600 0.196 0.000 1.372 222 M HN -0.540 7.679 8.290 0.134 0.152 0.456 223 A N 0.247 123.204 122.820 0.228 0.000 1.873 223 A HA -0.099 4.536 4.320 0.221 -0.182 0.215 223 A C 1.922 179.639 177.584 0.222 0.000 1.186 223 A CA 2.765 54.930 52.037 0.214 0.000 0.616 223 A CB -0.695 18.388 19.000 0.137 0.000 0.823 223 A HN -0.720 7.463 8.150 0.204 0.089 0.442 224 T N -0.592 114.058 114.554 0.160 0.000 2.653 224 T HA -0.288 4.133 4.350 0.118 0.000 0.268 224 T C -0.617 174.149 174.700 0.110 0.000 1.035 224 T CA 6.168 68.342 62.100 0.124 0.000 1.154 224 T CB -2.219 66.716 68.868 0.111 0.000 0.862 224 T HN -0.466 7.867 8.240 0.155 0.000 0.441 225 P HA 0.160 4.758 4.420 0.029 -0.161 0.223 225 P C 2.017 179.305 177.300 -0.019 0.000 1.151 225 P CA 2.625 65.731 63.100 0.009 0.000 0.787 225 P CB -0.273 31.393 31.700 -0.056 0.000 0.788 226 H N -1.169 117.900 119.070 -0.001 0.000 2.353 226 H HA -0.246 4.296 4.556 -0.023 0.000 0.300 226 H C 2.350 177.683 175.328 0.008 0.000 1.090 226 H CA 4.673 60.712 56.048 -0.016 0.000 1.327 226 H CB -0.442 29.292 29.762 -0.047 0.000 1.383 226 H HN -0.468 7.893 8.280 0.168 0.019 0.508 227 V N -0.705 119.300 119.914 0.151 0.000 2.379 227 V HA -0.446 3.733 4.120 0.099 0.000 0.245 227 V C 1.350 177.499 176.094 0.091 0.000 1.044 227 V CA 2.804 65.168 62.300 0.106 0.000 1.036 227 V CB -1.232 30.649 31.823 0.096 0.000 0.664 227 V HN -0.642 7.648 8.190 0.166 0.000 0.453 228 A N 0.069 122.940 122.820 0.085 0.000 1.908 228 A HA -0.353 4.021 4.320 0.090 0.000 0.218 228 A C 1.868 179.496 177.584 0.073 0.000 1.181 228 A CA 3.261 55.346 52.037 0.081 0.000 0.627 228 A CB -0.738 18.308 19.000 0.076 0.000 0.818 228 A HN 0.037 8.238 8.150 0.085 0.000 0.445 229 G N -3.070 105.762 108.800 0.053 0.000 2.418 229 G HA2 -0.367 3.623 3.960 0.050 0.000 0.217 229 G HA3 -0.367 3.611 3.960 0.030 0.000 0.217 229 G C 0.700 175.638 174.900 0.064 0.000 1.158 229 G CA 1.444 46.573 45.100 0.048 0.000 0.771 229 G HN -0.096 8.220 8.290 0.042 0.000 0.545 230 A N 1.827 124.689 122.820 0.070 0.000 1.933 230 A HA -0.366 3.991 4.320 0.062 0.000 0.218 230 A C 1.386 179.018 177.584 0.080 0.000 1.175 230 A CA 2.808 54.887 52.037 0.070 0.000 0.628 230 A CB -0.578 18.463 19.000 0.068 0.000 0.814 230 A HN -0.381 7.813 8.150 0.073 0.000 0.444 231 A N -1.807 121.067 122.820 0.090 0.000 1.908 231 A HA -0.421 3.972 4.320 0.122 0.000 0.218 231 A C 1.410 179.044 177.584 0.083 0.000 1.181 231 A CA 2.974 55.073 52.037 0.104 0.000 0.627 231 A CB -0.577 18.490 19.000 0.112 0.000 0.818 231 A HN -0.056 8.147 8.150 0.089 0.000 0.445 232 A N -1.909 120.955 122.820 0.072 0.000 1.933 232 A HA -0.342 4.005 4.320 0.045 0.000 0.218 232 A C 1.963 179.561 177.584 0.023 0.000 1.175 232 A CA 2.819 54.887 52.037 0.051 0.000 0.628 232 A CB -0.618 18.420 19.000 0.063 0.000 0.814 232 A HN -0.560 7.554 8.150 0.077 0.082 0.444 233 L N -2.062 119.184 121.223 0.037 0.000 2.046 233 L HA -0.371 3.981 4.340 0.019 0.000 0.208 233 L C 2.425 179.286 176.870 -0.014 0.000 1.077 233 L CA 2.881 57.735 54.840 0.023 0.000 0.747 233 L CB -0.445 41.641 42.059 0.045 0.000 0.896 233 L HN -0.483 7.778 8.230 0.052 0.000 0.432 234 V N -0.935 118.985 119.914 0.009 0.000 2.358 234 V HA -0.453 3.627 4.120 -0.068 0.000 0.246 234 V C 2.266 178.278 176.094 -0.138 0.000 1.047 234 V CA 3.850 66.132 62.300 -0.029 0.000 1.035 234 V CB -0.797 31.099 31.823 0.122 0.000 0.658 234 V HN -0.253 7.963 8.190 0.042 0.000 0.452 235 K N -0.348 120.010 120.400 -0.070 0.000 2.097 235 K HA -0.275 3.967 4.320 -0.129 0.000 0.205 235 K C 1.858 178.351 176.600 -0.177 0.000 1.050 235 K CA 2.256 58.471 56.287 -0.121 0.000 0.938 235 K CB -0.488 31.956 32.500 -0.094 0.000 0.718 235 K HN -0.252 7.988 8.250 -0.016 0.000 0.442 236 Q N -1.247 118.473 119.800 -0.132 0.000 2.084 236 Q HA -0.268 3.995 4.340 -0.129 0.000 0.202 236 Q C 2.010 177.916 176.000 -0.157 0.000 0.978 236 Q CA 2.895 58.624 55.803 -0.123 0.000 0.844 236 Q CB -0.078 28.618 28.738 -0.071 0.000 0.898 236 Q HN -0.454 7.758 8.270 -0.097 0.000 0.426 237 K N -2.118 118.170 120.400 -0.186 0.000 2.097 237 K HA -0.194 4.022 4.320 -0.173 0.000 0.205 237 K C 0.552 176.939 176.600 -0.355 0.000 1.050 237 K CA 1.782 57.931 56.287 -0.231 0.000 0.938 237 K CB 0.621 32.977 32.500 -0.241 0.000 0.718 237 K HN -0.575 7.574 8.250 -0.167 0.000 0.442 238 N N -1.549 116.845 118.700 -0.511 0.000 2.844 238 N HA 0.428 4.783 4.740 -0.643 0.000 0.268 238 N C -2.095 173.137 175.510 -0.463 0.000 1.574 238 N CA -2.415 50.169 53.050 -0.778 0.000 0.838 238 N CB 0.067 37.393 38.487 -1.935 0.000 1.177 238 N HN -0.499 7.487 8.380 -0.450 0.124 0.495 239 P HA 0.031 4.483 4.420 -0.162 -0.130 0.220 239 P C -0.334 176.934 177.300 -0.052 0.000 1.148 239 P CA 1.539 64.552 63.100 -0.145 0.000 0.803 239 P CB 0.123 31.759 31.700 -0.107 0.000 0.782 240 S N -6.796 108.898 115.700 -0.009 0.000 2.522 240 S HA -0.040 4.476 4.470 0.077 0.000 0.227 240 S C 0.417 175.168 174.600 0.252 0.000 0.986 240 S CA -0.051 58.215 58.200 0.110 0.000 0.929 240 S CB -0.942 62.337 63.200 0.131 0.000 0.769 240 S HN -0.360 7.872 8.310 -0.068 0.037 0.529 241 W N 1.945 123.228 121.300 -0.027 0.000 2.170 241 W HA 0.121 4.958 4.660 -0.019 -0.189 0.336 241 W C 0.897 177.416 176.519 0.001 0.000 1.283 241 W CA -1.345 55.989 57.345 -0.019 0.000 1.224 241 W CB 0.241 29.682 29.460 -0.031 0.000 1.132 241 W HN -0.621 7.638 8.180 0.232 0.060 0.571 242 S N 1.152 116.963 115.700 0.185 0.000 2.624 242 S HA -0.001 4.541 4.470 0.120 0.000 0.263 242 S C 1.052 175.727 174.600 0.124 0.000 1.287 242 S CA -1.039 57.228 58.200 0.113 0.000 0.990 242 S CB 2.397 65.621 63.200 0.039 0.000 0.950 242 S HN 0.102 8.798 8.310 0.118 -0.314 0.561 243 N N 1.936 120.697 118.700 0.102 0.000 2.060 243 N HA -0.432 4.382 4.740 0.123 0.000 0.195 243 N C 1.665 177.220 175.510 0.074 0.000 1.028 243 N CA 3.142 56.251 53.050 0.098 0.000 0.861 243 N CB -1.564 36.971 38.487 0.080 0.000 1.029 243 N HN 0.558 8.994 8.380 0.093 0.000 0.428 244 V N 1.206 121.142 119.914 0.036 0.000 2.343 244 V HA -0.378 3.754 4.120 0.021 0.000 0.247 244 V C 2.054 178.131 176.094 -0.028 0.000 1.051 244 V CA 3.611 65.915 62.300 0.006 0.000 1.036 244 V CB -0.886 30.928 31.823 -0.014 0.000 0.654 244 V HN -0.340 7.869 8.190 0.032 0.000 0.451 245 Q N -0.383 119.366 119.800 -0.086 0.000 2.084 245 Q HA -0.350 3.805 4.340 -0.308 0.000 0.202 245 Q C 2.956 178.909 176.000 -0.079 0.000 0.978 245 Q CA 3.373 59.019 55.803 -0.262 0.000 0.844 245 Q CB -0.090 28.305 28.738 -0.571 0.000 0.898 245 Q HN -0.561 7.670 8.270 -0.065 0.000 0.426 246 I N -0.155 120.516 120.570 0.169 0.000 2.179 246 I HA -0.590 3.886 4.170 0.512 0.000 0.242 246 I C 1.408 177.654 176.117 0.215 0.000 1.088 246 I CA 4.625 66.117 61.300 0.319 0.000 1.357 246 I CB -0.254 37.914 38.000 0.280 0.000 1.051 246 I HN -0.197 8.108 8.210 0.158 0.000 0.409 247 R N -0.116 120.462 120.500 0.131 0.000 2.096 247 R HA -0.459 3.944 4.340 0.105 0.000 0.240 247 R C 2.198 178.548 176.300 0.083 0.000 1.139 247 R CA 3.830 59.988 56.100 0.098 0.000 0.952 247 R CB -0.214 30.128 30.300 0.071 0.000 0.854 247 R HN -0.078 8.261 8.270 0.116 0.000 0.436 248 N N -2.405 116.328 118.700 0.055 0.000 2.120 248 N HA -0.253 4.505 4.740 0.031 0.000 0.188 248 N C 2.096 177.656 175.510 0.083 0.000 1.024 248 N CA 2.929 56.001 53.050 0.037 0.000 0.852 248 N CB -0.470 38.007 38.487 -0.016 0.000 1.003 248 N HN -0.134 8.268 8.380 0.037 0.000 0.424 249 H N 2.064 121.145 119.070 0.018 0.000 2.389 249 H HA -0.127 4.460 4.556 0.051 0.000 0.299 249 H C 2.418 177.807 175.328 0.102 0.000 1.081 249 H CA 3.477 59.576 56.048 0.086 0.000 1.345 249 H CB 0.235 30.147 29.762 0.250 0.000 1.393 249 H HN -0.466 7.933 8.280 0.198 0.000 0.520 250 L N -1.743 119.547 121.223 0.111 0.000 2.042 250 L HA -0.365 3.972 4.340 -0.004 0.000 0.210 250 L C 2.080 178.942 176.870 -0.012 0.000 1.076 250 L CA 3.145 58.005 54.840 0.032 0.000 0.749 250 L CB -0.242 41.866 42.059 0.082 0.000 0.893 250 L HN -0.224 8.124 8.230 0.196 0.000 0.432 251 K N -2.430 117.976 120.400 0.011 0.000 2.057 251 K HA -0.240 4.084 4.320 0.007 0.000 0.206 251 K C 3.187 179.773 176.600 -0.024 0.000 1.050 251 K CA 2.739 59.027 56.287 0.003 0.000 0.935 251 K CB -0.142 32.369 32.500 0.019 0.000 0.715 251 K HN -0.513 7.758 8.250 0.035 0.000 0.439 252 N N -3.188 115.488 118.700 -0.040 0.000 2.381 252 N HA -0.147 4.577 4.740 -0.026 0.000 0.182 252 N C 1.102 176.557 175.510 -0.092 0.000 1.025 252 N CA 2.075 55.096 53.050 -0.049 0.000 0.888 252 N CB 0.034 38.508 38.487 -0.021 0.000 0.965 252 N HN 0.040 8.403 8.380 -0.029 0.000 0.438 253 T N -5.961 108.496 114.554 -0.161 0.000 3.069 253 T HA 0.030 4.307 4.350 -0.122 0.000 0.252 253 T C -0.307 174.338 174.700 -0.091 0.000 1.053 253 T CA -0.711 61.294 62.100 -0.158 0.000 0.964 253 T CB 0.942 69.641 68.868 -0.283 0.000 1.005 253 T HN -0.581 7.513 8.240 -0.183 0.035 0.532 254 A N 2.662 125.444 122.820 -0.064 0.000 2.366 254 A HA -0.099 4.296 4.320 -0.041 -0.099 0.249 254 A C -0.306 177.252 177.584 -0.043 0.000 1.084 254 A CA 0.036 52.048 52.037 -0.042 0.000 0.794 254 A CB 1.111 20.098 19.000 -0.022 0.000 1.034 254 A HN -0.786 7.160 8.150 -0.063 0.166 0.491 255 T N 3.826 118.351 114.554 -0.047 0.000 2.749 255 T HA -0.011 4.308 4.350 -0.051 0.000 0.295 255 T C -0.129 174.525 174.700 -0.077 0.000 0.936 255 T CA 0.662 62.727 62.100 -0.058 0.000 1.060 255 T CB 0.752 69.584 68.868 -0.060 0.000 0.904 255 T HN 0.081 8.293 8.240 -0.045 0.000 0.500 256 S N 7.888 123.545 115.700 -0.071 0.000 2.552 256 S HA -0.084 4.340 4.470 -0.077 0.000 0.289 256 S C -0.275 174.225 174.600 -0.166 0.000 1.304 256 S CA 0.503 58.649 58.200 -0.089 0.000 1.063 256 S CB 0.269 63.434 63.200 -0.059 0.000 0.848 256 S HN 0.501 8.776 8.310 -0.058 0.000 0.499 257 L N 5.961 127.011 121.223 -0.289 0.000 2.769 257 L HA 0.188 4.303 4.340 -0.376 0.000 0.240 257 L C 0.360 176.981 176.870 -0.415 0.000 1.163 257 L CA -1.067 53.453 54.840 -0.533 0.000 0.962 257 L CB -0.245 41.196 42.059 -1.030 0.000 1.258 257 L HN 0.529 8.606 8.230 -0.255 0.000 0.513 258 G N -2.344 106.353 108.800 -0.171 0.000 2.176 258 G HA2 -0.307 3.630 3.960 -0.039 0.000 0.232 258 G HA3 -0.307 3.617 3.960 -0.060 0.000 0.232 258 G C -2.162 172.774 174.900 0.061 0.000 0.986 258 G CA 0.253 45.323 45.100 -0.050 0.000 0.643 258 G HN -0.552 7.596 8.290 -0.137 0.060 0.522 259 S N -2.426 113.387 115.700 0.189 0.000 2.626 259 S HA 0.271 4.806 4.470 0.108 0.000 0.275 259 S C -0.839 173.888 174.600 0.213 0.000 1.175 259 S CA -1.216 57.101 58.200 0.196 0.000 0.982 259 S CB 1.345 64.663 63.200 0.198 0.000 1.093 259 S HN -0.531 7.796 8.310 0.210 0.109 0.472 260 T N 5.082 119.703 114.554 0.110 0.000 2.821 260 T HA -0.055 4.571 4.350 0.114 -0.208 0.267 260 T C 2.103 176.844 174.700 0.068 0.000 1.046 260 T CA 2.599 64.753 62.100 0.091 0.000 1.139 260 T CB 0.281 69.183 68.868 0.058 0.000 0.871 260 T HN 0.297 8.586 8.240 0.082 0.000 0.454 261 N N 1.424 120.152 118.700 0.047 0.000 2.061 261 N HA -0.286 4.502 4.740 0.079 0.000 0.193 261 N C 1.302 176.851 175.510 0.064 0.000 1.030 261 N CA 3.263 56.350 53.050 0.062 0.000 0.856 261 N CB -0.144 38.383 38.487 0.067 0.000 1.023 261 N HN -0.439 7.933 8.380 0.046 0.035 0.424 262 L N -4.439 116.704 121.223 -0.134 0.000 2.209 262 L HA -0.169 3.844 4.340 -0.545 0.000 0.207 262 L C 0.809 177.343 176.870 -0.559 0.000 1.094 262 L CA 2.230 56.758 54.840 -0.520 0.000 0.790 262 L CB 0.676 42.221 42.059 -0.857 0.000 0.932 262 L HN -0.747 7.395 8.230 -0.093 0.033 0.447 263 Y N -7.660 112.627 120.300 -0.022 0.000 2.563 263 Y HA 0.087 4.628 4.550 -0.015 0.000 0.250 263 Y C 0.428 176.330 175.900 0.004 0.000 1.126 263 Y CA -0.399 57.692 58.100 -0.016 0.000 1.231 263 Y CB 2.260 40.701 38.460 -0.032 0.000 1.288 263 Y HN -0.618 7.562 8.280 0.012 0.108 0.537 264 G N 0.221 109.097 108.800 0.126 0.000 2.596 264 G HA2 -0.603 3.477 3.960 0.072 0.000 0.295 264 G HA3 -0.603 3.404 3.960 0.079 0.000 0.295 264 G C 0.931 175.886 174.900 0.092 0.000 1.240 264 G CA 1.254 46.408 45.100 0.091 0.000 0.985 264 G HN -0.186 8.162 8.290 0.096 0.000 0.555 265 S N 3.288 119.025 115.700 0.063 0.000 2.507 265 S HA -0.238 4.253 4.470 0.034 0.000 0.235 265 S C 1.016 175.634 174.600 0.030 0.000 0.988 265 S CA 1.445 59.669 58.200 0.039 0.000 0.944 265 S CB 0.603 63.818 63.200 0.024 0.000 0.762 265 S HN -0.094 8.146 8.310 0.058 0.105 0.526 266 G N 0.655 109.489 108.800 0.055 0.000 2.428 266 G HA2 -0.277 3.691 3.960 0.013 0.000 0.202 266 G HA3 -0.277 3.849 3.960 -0.037 -0.189 0.202 266 G C -2.679 172.225 174.900 0.006 0.000 1.247 266 G CA -0.649 44.455 45.100 0.007 0.000 1.020 266 G HN -0.554 7.733 8.290 0.090 0.057 0.529 267 L N 1.165 122.364 121.223 -0.041 0.000 2.313 267 L HA 0.330 4.834 4.340 -0.012 -0.171 0.282 267 L C 0.169 177.024 176.870 -0.025 0.000 1.092 267 L CA -0.444 54.378 54.840 -0.031 0.000 0.831 267 L CB 1.245 43.272 42.059 -0.053 0.000 1.159 267 L HN -0.111 8.075 8.230 -0.074 0.000 0.442 268 V N 7.492 127.398 119.914 -0.013 0.000 2.788 268 V HA -0.187 3.929 4.120 -0.006 0.000 0.307 268 V C -2.024 174.059 176.094 -0.019 0.000 1.069 268 V CA 1.191 63.487 62.300 -0.007 0.000 1.173 268 V CB 0.822 32.654 31.823 0.016 0.000 0.925 268 V HN -0.233 7.952 8.190 -0.008 0.000 0.492 269 N N 7.436 126.124 118.700 -0.020 0.000 2.609 269 N HA 0.125 4.966 4.740 -0.025 -0.116 0.268 269 N C -0.466 175.033 175.510 -0.019 0.000 1.106 269 N CA -0.568 52.467 53.050 -0.025 0.000 0.823 269 N CB 1.157 39.624 38.487 -0.033 0.000 1.263 269 N HN 0.193 8.562 8.380 -0.019 0.000 0.533 270 A N 5.377 128.188 122.820 -0.015 0.000 2.015 270 A HA -0.263 4.063 4.320 0.009 0.000 0.219 270 A C 0.906 178.481 177.584 -0.015 0.000 1.163 270 A CA 2.760 54.791 52.037 -0.009 0.000 0.646 270 A CB -0.103 18.884 19.000 -0.021 0.000 0.806 270 A HN 0.662 8.801 8.150 -0.018 0.000 0.448 271 E N -1.062 119.121 120.200 -0.027 0.000 2.028 271 E HA -0.265 4.071 4.350 -0.024 0.000 0.191 271 E C 2.018 178.615 176.600 -0.004 0.000 0.988 271 E CA 2.790 59.178 56.400 -0.021 0.000 0.799 271 E CB -0.214 29.470 29.700 -0.027 0.000 0.755 271 E HN -0.449 8.010 8.360 -0.032 -0.118 0.447 272 A N -1.321 121.492 122.820 -0.012 0.000 1.969 272 A HA -0.143 4.179 4.320 0.003 0.000 0.218 272 A C 2.321 179.904 177.584 -0.002 0.000 1.169 272 A CA 2.581 54.611 52.037 -0.011 0.000 0.635 272 A CB -0.678 18.302 19.000 -0.035 0.000 0.810 272 A HN -0.461 7.959 8.150 -0.019 -0.282 0.445 273 A N -4.393 118.423 122.820 -0.006 0.000 2.167 273 A HA -0.076 4.181 4.320 -0.105 0.000 0.214 273 A C 0.186 177.889 177.584 0.199 0.000 1.151 273 A CA 2.088 54.150 52.037 0.041 0.000 0.735 273 A CB 0.172 19.201 19.000 0.048 0.000 0.802 273 A HN -0.404 7.712 8.150 -0.010 0.028 0.467 274 T N -6.949 107.664 114.554 0.100 0.000 3.084 274 T HA 0.111 4.491 4.350 0.049 0.000 0.270 274 T C -0.045 174.678 174.700 0.039 0.000 1.008 274 T CA -1.320 60.812 62.100 0.054 0.000 0.900 274 T CB 1.051 69.927 68.868 0.014 0.000 1.084 274 T HN -0.662 7.563 8.240 0.064 0.053 0.538 275 R N 0.000 120.540 120.500 0.066 0.000 2.786 275 R HA 0.000 4.356 4.340 0.027 0.000 0.208 275 R CA 0.000 56.128 56.100 0.046 0.000 0.921 275 R CB 0.000 30.328 30.300 0.046 0.000 0.687 275 R HN 0.000 8.327 8.270 0.094 0.000 0.535