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 2ha1_1_A DATA FIRST_RESID 1 DATA SEQUENCE SGPVEVFITE TPSQPNSHPI QWNAPQPSHI SKYILRWRPK NSVGRWKEAT DATA SEQUENCE IPGHLNSYTI KGLKPGVVYE GQLISIQQYG HQEVTRFDFT TTSTSTPVTS DATA SEQUENCE NTVTGETTPF SPLVATSESV TEITASSFVV SWVSASDTVS GFRVEYELSE DATA SEQUENCE EGDEPQYLDL PSTATSVNIP DLLPGRKYIV NVYQISEDGE QSLILSTSQT DATA SEQUENCE T 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 S HA 0.000 4.505 4.470 0.059 0.000 0.327 1 S C 0.000 174.630 174.600 0.050 0.000 1.055 1 S CA 0.000 58.254 58.200 0.089 0.000 1.107 1 S CB 0.000 63.301 63.200 0.168 0.000 0.593 2 G N 0.581 109.406 108.800 0.042 0.000 2.453 2 G HA2 0.372 4.408 3.960 0.038 0.000 0.323 2 G HA3 0.372 4.347 3.960 0.025 0.000 0.323 2 G C -2.836 172.100 174.900 0.060 0.000 1.198 2 G CA -2.019 43.105 45.100 0.039 0.000 0.959 2 G HN -0.156 8.151 8.290 0.029 0.000 0.482 3 P HA -0.275 4.198 4.420 0.089 0.000 0.265 3 P C -0.883 176.472 177.300 0.091 0.000 1.167 3 P CA 0.249 63.399 63.100 0.082 0.000 0.760 3 P CB 0.427 32.174 31.700 0.079 0.000 0.783 4 V N 2.569 122.548 119.914 0.108 0.000 3.336 4 V HA -0.073 4.122 4.120 0.126 0.000 0.304 4 V C -0.514 175.636 176.094 0.093 0.000 1.073 4 V CA -0.279 62.092 62.300 0.119 0.000 1.074 4 V CB 1.086 32.995 31.823 0.143 0.000 1.161 4 V HN 0.828 9.085 8.190 0.112 0.000 0.460 5 E N 1.355 121.604 120.200 0.081 0.000 2.151 5 E HA 0.281 4.671 4.350 0.066 0.000 0.275 5 E C -1.882 174.671 176.600 -0.078 0.000 0.936 5 E CA -1.077 55.353 56.400 0.050 0.000 0.777 5 E CB 1.798 31.554 29.700 0.093 0.000 1.108 5 E HN -0.098 8.322 8.360 0.101 0.000 0.401 6 V N 4.136 123.966 119.914 -0.141 0.000 2.841 6 V HA 0.764 4.614 4.120 -0.696 -0.148 0.310 6 V C -1.771 174.129 176.094 -0.323 0.000 1.090 6 V CA -2.307 59.739 62.300 -0.423 0.000 0.930 6 V CB 2.525 34.086 31.823 -0.437 0.000 1.014 6 V HN 0.362 8.537 8.190 -0.025 0.000 0.425 7 F N 4.202 124.083 119.950 -0.116 0.000 2.711 7 F HA 0.373 4.868 4.527 -0.054 0.000 0.313 7 F C -2.585 173.148 175.800 -0.111 0.000 1.141 7 F CA -1.719 56.230 58.000 -0.085 0.000 0.941 7 F CB 1.653 40.615 39.000 -0.062 0.000 1.349 7 F HN -0.013 7.539 8.300 -1.246 0.000 0.464 8 I N 0.052 120.782 120.570 0.268 0.000 2.377 8 I HA 0.240 4.435 4.170 0.042 0.000 0.293 8 I C -0.744 175.437 176.117 0.106 0.000 0.987 8 I CA -0.559 60.816 61.300 0.124 0.000 1.185 8 I CB 0.977 39.035 38.000 0.097 0.000 1.341 8 I HN 0.067 8.434 8.210 0.261 0.000 0.455 9 T N 4.141 118.719 114.554 0.040 0.000 2.864 9 T HA 0.152 4.481 4.350 -0.035 0.000 0.299 9 T C -1.089 173.572 174.700 -0.066 0.000 1.166 9 T CA -1.260 60.828 62.100 -0.021 0.000 1.007 9 T CB 2.154 71.005 68.868 -0.027 0.000 1.219 9 T HN -0.296 7.942 8.240 -0.004 0.000 0.506 10 E N -1.380 118.779 120.200 -0.070 0.000 2.405 10 E HA -0.288 4.022 4.350 -0.066 0.000 0.240 10 E C -0.986 175.559 176.600 -0.092 0.000 1.269 10 E CA 1.300 57.654 56.400 -0.077 0.000 0.716 10 E CB -0.882 28.767 29.700 -0.085 0.000 1.228 10 E HN 0.364 8.683 8.360 -0.067 0.000 0.393 11 T N -5.003 109.501 114.554 -0.082 0.000 3.427 11 T HA 0.367 4.646 4.350 -0.119 0.000 0.306 11 T C -1.135 173.548 174.700 -0.028 0.000 1.733 11 T CA -3.564 58.479 62.100 -0.095 0.000 1.599 11 T CB -0.293 68.478 68.868 -0.162 0.000 0.964 11 T HN -0.406 7.758 8.240 -0.061 0.039 0.701 12 P HA 0.009 4.432 4.420 0.004 0.000 0.220 12 P C -1.046 176.265 177.300 0.018 0.000 1.148 12 P CA 0.679 63.776 63.100 -0.004 0.000 0.803 12 P CB 0.418 32.107 31.700 -0.018 0.000 0.782 13 S N -5.107 110.602 115.700 0.015 0.000 3.010 13 S HA 0.002 4.532 4.470 0.100 0.000 0.262 13 S C -1.959 172.644 174.600 0.005 0.000 0.608 13 S CA 0.561 58.787 58.200 0.043 0.000 0.678 13 S CB 0.623 63.843 63.200 0.033 0.000 0.863 13 S HN -0.297 7.977 8.310 -0.011 0.029 0.624 14 Q N 5.024 124.843 119.800 0.032 0.000 2.399 14 Q HA 0.480 4.770 4.340 -0.083 0.000 0.276 14 Q C -1.949 174.026 176.000 -0.042 0.000 1.098 14 Q CA -3.236 52.546 55.803 -0.035 0.000 0.827 14 Q CB 2.364 31.073 28.738 -0.048 0.000 1.386 14 Q HN 0.054 8.391 8.270 0.111 0.000 0.443 15 P HA -0.003 4.354 4.420 -0.104 0.000 0.212 15 P C -0.801 176.311 177.300 -0.314 0.000 1.171 15 P CA 2.164 65.165 63.100 -0.164 0.000 0.892 15 P CB 0.913 32.514 31.700 -0.165 0.000 0.769 16 N N -6.091 112.367 118.700 -0.404 0.000 2.294 16 N HA -0.029 4.502 4.740 -0.738 -0.233 0.186 16 N C -0.992 174.375 175.510 -0.238 0.000 1.107 16 N CA -0.088 52.625 53.050 -0.562 0.000 0.884 16 N CB 1.055 39.125 38.487 -0.695 0.000 1.030 16 N HN 0.171 8.375 8.380 -0.294 0.000 0.482 17 S N 0.731 116.338 115.700 -0.155 0.000 2.593 17 S HA 0.479 5.081 4.470 -0.110 -0.199 0.297 17 S C -1.132 173.446 174.600 -0.036 0.000 1.112 17 S CA -0.343 57.792 58.200 -0.108 0.000 1.043 17 S CB 2.124 65.251 63.200 -0.122 0.000 1.054 17 S HN -0.597 7.613 8.310 -0.166 0.000 0.516 18 H N 1.217 120.171 119.070 -0.193 0.000 3.287 18 H HA 0.399 4.849 4.556 -0.176 0.000 0.329 18 H C -2.596 172.562 175.328 -0.284 0.000 1.130 18 H CA -1.436 54.481 56.048 -0.218 0.000 1.593 18 H CB 3.392 33.039 29.762 -0.190 0.000 1.916 18 H HN 0.959 9.068 8.280 -0.102 0.109 0.503 19 P HA 0.201 4.443 4.420 -0.296 0.000 0.282 19 P C -1.546 175.461 177.300 -0.488 0.000 1.249 19 P CA -0.673 62.176 63.100 -0.418 0.000 0.806 19 P CB 1.199 32.708 31.700 -0.318 0.000 0.984 20 I N -4.818 115.608 120.570 -0.239 0.000 3.145 20 I HA 0.480 4.473 4.170 -0.296 0.000 0.313 20 I C -1.784 174.265 176.117 -0.113 0.000 1.122 20 I CA -2.367 58.818 61.300 -0.192 0.000 0.987 20 I CB 3.909 41.841 38.000 -0.113 0.000 1.236 20 I HN -0.617 7.523 8.210 -0.117 0.000 0.453 21 Q N -1.406 118.258 119.800 -0.226 0.000 2.377 21 Q HA 0.512 4.581 4.340 -0.623 -0.103 0.279 21 Q C -1.716 173.917 176.000 -0.612 0.000 1.049 21 Q CA -0.663 54.856 55.803 -0.475 0.000 0.825 21 Q CB 4.641 33.140 28.738 -0.398 0.000 1.401 21 Q HN -0.090 7.996 8.270 -0.307 0.000 0.404 22 W N 0.050 120.962 121.300 -0.647 0.000 3.083 22 W HA 0.812 5.102 4.660 -0.839 -0.133 0.333 22 W C -2.109 174.137 176.519 -0.455 0.000 1.217 22 W CA -1.755 55.211 57.345 -0.631 0.000 1.170 22 W CB 2.463 31.659 29.460 -0.439 0.000 1.437 22 W HN 0.351 7.669 8.180 -1.437 0.000 0.557 23 N N -0.152 118.460 118.700 -0.148 0.000 2.312 23 N HA 0.366 4.998 4.740 -0.179 0.000 0.296 23 N C -1.662 173.888 175.510 0.067 0.000 1.193 23 N CA -0.757 52.252 53.050 -0.069 0.000 0.773 23 N CB 3.909 42.420 38.487 0.040 0.000 1.435 23 N HN 0.988 9.180 8.380 -0.081 0.140 0.484 24 A N 0.141 123.016 122.820 0.092 0.000 2.486 24 A HA 0.463 4.899 4.320 0.194 0.000 0.289 24 A C -2.485 175.185 177.584 0.144 0.000 1.176 24 A CA -2.363 49.788 52.037 0.190 0.000 0.757 24 A CB 0.882 20.107 19.000 0.375 0.000 1.337 24 A HN -0.000 8.176 8.150 0.044 0.000 0.423 25 P HA -0.070 4.387 4.420 0.061 0.000 0.272 25 P C -1.026 176.333 177.300 0.098 0.000 1.243 25 P CA -0.389 62.767 63.100 0.092 0.000 0.803 25 P CB 0.835 32.575 31.700 0.067 0.000 0.974 26 Q N -0.809 119.033 119.800 0.070 0.000 2.061 26 Q HA -0.018 4.362 4.340 0.066 0.000 0.195 26 Q C -1.119 174.927 176.000 0.077 0.000 0.967 26 Q CA 1.003 56.845 55.803 0.065 0.000 0.829 26 Q CB -0.488 28.276 28.738 0.043 0.000 0.900 26 Q HN 0.140 8.441 8.270 0.052 0.000 0.450 27 P HA 0.064 4.525 4.420 0.067 0.000 0.269 27 P C -0.259 177.110 177.300 0.114 0.000 1.215 27 P CA -0.339 62.813 63.100 0.087 0.000 0.780 27 P CB 0.364 32.117 31.700 0.088 0.000 0.898 28 S N 0.944 116.692 115.700 0.081 0.000 3.237 28 S HA -0.266 4.249 4.470 0.075 0.000 0.255 28 S C 0.066 174.693 174.600 0.046 0.000 1.127 28 S CA 1.083 59.318 58.200 0.059 0.000 1.254 28 S CB -1.388 61.825 63.200 0.021 0.000 1.022 28 S HN 0.317 8.664 8.310 0.063 0.000 0.477 29 H N 1.242 120.320 119.070 0.012 0.000 2.353 29 H HA -0.169 4.378 4.556 -0.016 0.000 0.300 29 H C -0.435 174.878 175.328 -0.026 0.000 1.090 29 H CA 3.285 59.333 56.048 0.001 0.000 1.327 29 H CB 0.786 30.568 29.762 0.033 0.000 1.383 29 H HN 0.438 8.676 8.280 0.215 0.171 0.508 30 I N -3.466 117.124 120.570 0.033 0.000 2.412 30 I HA -0.043 4.000 4.170 -0.212 0.000 0.296 30 I C -1.304 174.685 176.117 -0.214 0.000 0.987 30 I CA -0.700 60.540 61.300 -0.100 0.000 1.180 30 I CB 2.297 40.330 38.000 0.056 0.000 1.340 30 I HN -0.727 7.581 8.210 0.164 0.000 0.455 31 S N 5.619 121.113 115.700 -0.343 0.000 2.783 31 S HA 0.087 4.432 4.470 -0.208 0.000 0.205 31 S C -0.411 173.905 174.600 -0.474 0.000 0.910 31 S CA 1.072 59.081 58.200 -0.317 0.000 0.861 31 S CB 1.535 64.572 63.200 -0.273 0.000 0.830 31 S HN 0.355 8.455 8.310 -0.350 0.000 0.630 32 K N 0.488 120.626 120.400 -0.436 0.000 2.144 32 K HA 0.065 4.232 4.320 -0.255 0.000 0.270 32 K C -0.972 175.290 176.600 -0.562 0.000 1.005 32 K CA 0.071 56.137 56.287 -0.368 0.000 0.932 32 K CB 1.247 33.638 32.500 -0.182 0.000 1.021 32 K HN -0.642 7.390 8.250 -0.363 0.000 0.462 33 Y N 0.506 120.794 120.300 -0.020 0.000 2.331 33 Y HA 0.397 4.996 4.550 -0.125 -0.124 0.334 33 Y C -1.043 174.740 175.900 -0.196 0.000 0.960 33 Y CA -1.118 56.912 58.100 -0.116 0.000 1.130 33 Y CB 2.335 40.742 38.460 -0.088 0.000 1.164 33 Y HN 0.083 8.367 8.280 0.007 0.000 0.458 34 I N 1.480 121.994 120.570 -0.092 0.000 2.433 34 I HA 0.430 4.632 4.170 -0.143 -0.117 0.292 34 I C -1.640 174.354 176.117 -0.204 0.000 1.001 34 I CA -1.203 60.009 61.300 -0.146 0.000 1.119 34 I CB 3.127 41.056 38.000 -0.119 0.000 1.289 34 I HN 1.219 9.277 8.210 -0.072 0.109 0.438 35 L N 6.425 127.509 121.223 -0.232 0.000 2.356 35 L HA 0.840 5.329 4.340 -0.063 -0.187 0.277 35 L C -1.700 175.139 176.870 -0.052 0.000 0.996 35 L CA -1.352 53.415 54.840 -0.121 0.000 0.822 35 L CB 2.948 44.871 42.059 -0.226 0.000 1.256 35 L HN 0.518 8.603 8.230 -0.241 0.000 0.413 36 R N 0.310 120.833 120.500 0.038 0.000 2.628 36 R HA 0.765 4.804 4.340 -0.694 -0.115 0.288 36 R C -2.162 174.311 176.300 0.289 0.000 0.980 36 R CA -2.072 53.912 56.100 -0.194 0.000 0.891 36 R CB 2.584 32.636 30.300 -0.413 0.000 1.188 36 R HN 0.778 9.130 8.270 0.137 0.000 0.450 37 W N -0.792 120.675 121.300 0.277 0.000 3.075 37 W HA 0.984 5.968 4.660 0.255 -0.171 0.334 37 W C -2.856 173.944 176.519 0.468 0.000 1.243 37 W CA -1.673 55.871 57.345 0.331 0.000 1.170 37 W CB 3.769 33.381 29.460 0.253 0.000 1.452 37 W HN 0.856 8.486 8.180 -0.916 0.000 0.572 38 R N -3.516 117.287 120.500 0.505 0.000 2.579 38 R HA 0.486 5.108 4.340 0.470 0.000 0.260 38 R C -2.702 173.760 176.300 0.269 0.000 1.103 38 R CA -2.172 54.144 56.100 0.360 0.000 0.942 38 R CB 2.590 32.932 30.300 0.070 0.000 1.251 38 R HN 0.678 9.204 8.270 0.427 0.000 0.450 39 P HA -0.050 4.314 4.420 -0.330 -0.142 0.265 39 P C -0.701 176.500 177.300 -0.164 0.000 1.222 39 P CA -0.626 62.438 63.100 -0.060 0.000 0.767 39 P CB -0.114 31.557 31.700 -0.049 0.000 0.801 40 K N 5.347 125.597 120.400 -0.251 0.000 1.895 40 K HA -0.367 3.842 4.320 -0.186 0.000 0.229 40 K C -0.659 175.836 176.600 -0.174 0.000 1.161 40 K CA 1.601 57.763 56.287 -0.208 0.000 1.288 40 K CB -1.379 30.989 32.500 -0.221 0.000 0.962 40 K HN -0.018 8.031 8.250 -0.335 0.000 0.326 41 N N 1.965 120.583 118.700 -0.137 0.000 1.910 41 N HA 0.121 4.800 4.740 -0.102 0.000 0.254 41 N C -1.335 174.124 175.510 -0.085 0.000 1.331 41 N CA 0.353 53.341 53.050 -0.103 0.000 0.775 41 N CB 2.228 40.662 38.487 -0.089 0.000 1.288 41 N HN 0.388 8.677 8.380 -0.137 0.009 0.522 42 S N -0.272 115.369 115.700 -0.098 0.000 2.565 42 S HA 0.246 4.663 4.470 -0.088 0.000 0.269 42 S C -1.245 173.261 174.600 -0.156 0.000 1.153 42 S CA -0.278 57.865 58.200 -0.095 0.000 0.835 42 S CB 1.963 65.133 63.200 -0.051 0.000 1.122 42 S HN -0.500 7.741 8.310 -0.115 0.000 0.462 43 V N -2.235 117.586 119.914 -0.155 0.000 2.988 43 V HA 0.512 4.411 4.120 -0.367 0.000 0.356 43 V C -0.077 175.921 176.094 -0.160 0.000 1.380 43 V CA -0.754 61.406 62.300 -0.232 0.000 1.184 43 V CB -0.021 31.682 31.823 -0.199 0.000 1.204 43 V HN 0.166 8.290 8.190 -0.110 0.000 0.530 44 G N 2.257 111.008 108.800 -0.081 0.000 2.695 44 G HA2 0.074 4.037 3.960 0.005 0.000 0.219 44 G HA3 0.074 4.043 3.960 0.015 0.000 0.219 44 G C -0.694 174.275 174.900 0.114 0.000 1.295 44 G CA 0.159 45.263 45.100 0.007 0.000 0.882 44 G HN -0.366 7.806 8.290 -0.080 0.070 0.570 45 R N -0.295 120.298 120.500 0.156 0.000 2.778 45 R HA 0.387 4.970 4.340 0.405 0.000 0.277 45 R C -1.369 175.196 176.300 0.440 0.000 0.977 45 R CA -0.833 55.447 56.100 0.299 0.000 0.950 45 R CB 2.021 32.407 30.300 0.143 0.000 1.165 45 R HN 0.030 8.355 8.270 0.093 0.000 0.474 46 W N -1.760 119.489 121.300 -0.085 0.000 2.894 46 W HA 0.191 4.813 4.660 -0.064 0.000 0.424 46 W C -2.495 173.883 176.519 -0.235 0.000 1.072 46 W CA -1.625 55.644 57.345 -0.127 0.000 1.194 46 W CB -0.030 29.345 29.460 -0.143 0.000 1.471 46 W HN -0.141 8.207 8.180 0.279 0.000 0.608 47 K N 1.182 121.353 120.400 -0.383 0.000 2.203 47 K HA 0.426 4.422 4.320 -0.540 0.000 0.251 47 K C -1.386 174.417 176.600 -1.328 0.000 0.944 47 K CA -0.649 55.162 56.287 -0.794 0.000 0.829 47 K CB 2.387 34.466 32.500 -0.701 0.000 1.125 47 K HN 0.113 8.234 8.250 -0.216 0.000 0.430 48 E N -0.489 119.084 120.200 -1.045 0.000 2.408 48 E HA 0.770 4.589 4.350 -1.110 -0.135 0.275 48 E C -2.036 174.220 176.600 -0.573 0.000 0.935 48 E CA -1.767 54.082 56.400 -0.918 0.000 0.775 48 E CB 3.603 32.867 29.700 -0.726 0.000 1.277 48 E HN 0.136 8.060 8.360 -0.726 0.000 0.455 49 A N 1.269 123.851 122.820 -0.397 0.000 2.606 49 A HA 0.435 4.697 4.320 -0.096 0.000 0.293 49 A C -2.010 175.494 177.584 -0.132 0.000 1.082 49 A CA -0.368 51.575 52.037 -0.157 0.000 0.685 49 A CB 3.617 22.599 19.000 -0.031 0.000 1.284 49 A HN 0.560 8.455 8.150 -0.425 0.000 0.408 50 T N 1.434 115.970 114.554 -0.030 0.000 2.829 50 T HA 0.389 4.709 4.350 -0.051 0.000 0.280 50 T C -1.018 173.730 174.700 0.081 0.000 0.999 50 T CA -0.147 61.949 62.100 -0.006 0.000 0.983 50 T CB 1.737 70.608 68.868 0.005 0.000 0.968 50 T HN 0.079 8.335 8.240 0.027 0.000 0.446 51 I N 6.094 126.722 120.570 0.096 0.000 2.447 51 I HA 0.408 4.715 4.170 0.228 0.000 0.287 51 I C -2.423 173.833 176.117 0.232 0.000 1.023 51 I CA -3.175 58.252 61.300 0.211 0.000 1.083 51 I CB 2.615 40.794 38.000 0.299 0.000 1.245 51 I HN 0.878 9.019 8.210 0.049 0.099 0.434 52 P HA -0.161 4.373 4.420 0.189 0.000 0.267 52 P C 0.922 178.378 177.300 0.260 0.000 1.195 52 P CA 0.396 63.618 63.100 0.204 0.000 0.773 52 P CB 0.516 32.386 31.700 0.283 0.000 0.837 53 G N -0.080 108.878 108.800 0.262 0.000 2.470 53 G HA2 -0.271 3.996 3.960 0.440 0.000 0.220 53 G HA3 -0.271 3.845 3.960 0.166 -0.057 0.220 53 G C 0.032 175.170 174.900 0.396 0.000 1.121 53 G CA 1.635 46.932 45.100 0.328 0.000 0.766 53 G HN 0.497 8.910 8.290 0.205 0.000 0.553 54 H N -3.001 116.201 119.070 0.220 0.000 2.535 54 H HA -0.102 4.534 4.556 0.134 0.000 0.273 54 H C -0.428 174.963 175.328 0.106 0.000 0.983 54 H CA 0.133 56.265 56.048 0.141 0.000 1.238 54 H CB -0.110 29.704 29.762 0.087 0.000 1.412 54 H HN -0.300 8.205 8.280 0.437 0.037 0.562 55 L N 1.081 122.002 121.223 -0.503 0.000 2.312 55 L HA 0.124 4.261 4.340 -0.339 0.000 0.281 55 L C -0.600 176.126 176.870 -0.241 0.000 1.070 55 L CA -0.614 54.014 54.840 -0.354 0.000 0.805 55 L CB 0.653 42.541 42.059 -0.285 0.000 1.174 55 L HN -0.645 7.152 8.230 -0.463 0.155 0.434 56 N N -0.639 117.736 118.700 -0.542 0.000 2.197 56 N HA -0.001 3.895 4.740 -1.407 0.000 0.228 56 N C -1.631 172.712 175.510 -1.945 0.000 1.212 56 N CA -0.588 51.750 53.050 -1.187 0.000 0.883 56 N CB 0.893 38.927 38.487 -0.755 0.000 1.107 56 N HN 0.368 8.483 8.380 -0.443 0.000 0.519 57 S N -4.436 110.426 115.700 -1.397 0.000 2.533 57 S HA 0.238 3.889 4.470 -1.501 -0.082 0.271 57 S C -2.364 172.171 174.600 -0.108 0.000 1.143 57 S CA -1.310 56.279 58.200 -1.019 0.000 0.891 57 S CB 2.640 65.537 63.200 -0.505 0.000 1.105 57 S HN -0.987 6.805 8.310 -0.768 0.058 0.468 58 Y N 3.486 123.915 120.300 0.216 0.000 2.782 58 Y HA 0.232 4.923 4.550 0.236 0.000 0.329 58 Y C -1.520 174.384 175.900 0.007 0.000 1.192 58 Y CA -0.635 57.620 58.100 0.258 0.000 1.216 58 Y CB 4.125 42.777 38.460 0.320 0.000 1.447 58 Y HN 0.029 8.574 8.280 0.442 0.000 0.616 59 T N 1.775 115.745 114.554 -0.973 0.000 3.172 59 T HA 0.215 4.360 4.350 -0.343 0.000 0.320 59 T C -2.171 172.199 174.700 -0.550 0.000 1.085 59 T CA -0.117 61.608 62.100 -0.625 0.000 1.052 59 T CB 1.569 70.110 68.868 -0.546 0.000 1.107 59 T HN -0.067 6.291 8.240 -3.137 0.000 0.458 60 I N 6.955 127.368 120.570 -0.262 0.000 2.362 60 I HA 0.290 4.344 4.170 -0.192 0.000 0.289 60 I C -2.098 173.913 176.117 -0.177 0.000 0.994 60 I CA -0.916 60.235 61.300 -0.249 0.000 1.158 60 I CB 2.225 39.980 38.000 -0.408 0.000 1.315 60 I HN 0.237 8.203 8.210 -0.242 0.099 0.451 61 K N 4.966 125.306 120.400 -0.101 0.000 2.400 61 K HA 0.556 4.990 4.320 -0.083 -0.164 0.246 61 K C -0.003 176.610 176.600 0.021 0.000 0.995 61 K CA -2.096 54.162 56.287 -0.048 0.000 0.840 61 K CB 3.196 35.686 32.500 -0.016 0.000 1.293 61 K HN 0.328 8.547 8.250 -0.050 0.000 0.445 62 G N -0.809 108.028 108.800 0.062 0.000 2.132 62 G HA2 -0.385 3.782 3.960 0.345 0.000 0.234 62 G HA3 -0.385 3.697 3.960 0.202 0.000 0.234 62 G C -0.184 174.801 174.900 0.141 0.000 0.989 62 G CA 0.211 45.426 45.100 0.191 0.000 0.676 62 G HN -0.152 8.367 8.290 0.029 -0.211 0.522 63 L N -1.550 119.633 121.223 -0.066 0.000 2.453 63 L HA -0.151 4.156 4.340 -0.055 0.000 0.261 63 L C -0.085 176.798 176.870 0.021 0.000 1.179 63 L CA 0.083 54.878 54.840 -0.075 0.000 0.813 63 L CB 0.551 42.487 42.059 -0.204 0.000 1.110 63 L HN -0.080 7.937 8.230 -0.131 0.134 0.466 64 K N 2.077 122.691 120.400 0.357 0.000 2.183 64 K HA 0.374 4.907 4.320 0.355 0.000 0.274 64 K C -2.290 174.406 176.600 0.159 0.000 1.009 64 K CA -2.968 53.495 56.287 0.293 0.000 0.888 64 K CB 0.458 33.143 32.500 0.308 0.000 1.078 64 K HN 1.111 9.824 8.250 0.771 0.000 0.459 65 P HA -0.224 4.212 4.420 0.026 0.000 0.271 65 P C 0.551 177.879 177.300 0.046 0.000 1.216 65 P CA 0.029 63.160 63.100 0.051 0.000 0.776 65 P CB 0.327 32.062 31.700 0.059 0.000 0.881 66 G N 1.898 110.710 108.800 0.019 0.000 2.176 66 G HA2 -0.476 3.479 3.960 -0.008 0.000 0.252 66 G HA3 -0.476 3.485 3.960 0.001 0.000 0.252 66 G C -1.520 173.351 174.900 -0.049 0.000 1.024 66 G CA 0.452 45.548 45.100 -0.006 0.000 0.755 66 G HN 0.185 8.489 8.290 0.023 0.000 0.507 67 V N -1.933 117.931 119.914 -0.082 0.000 3.001 67 V HA 0.408 4.401 4.120 -0.211 0.000 0.314 67 V C -2.221 173.650 176.094 -0.371 0.000 1.099 67 V CA -2.046 60.112 62.300 -0.237 0.000 0.989 67 V CB 3.716 35.359 31.823 -0.300 0.000 1.040 67 V HN -0.929 7.213 8.190 -0.029 0.031 0.434 68 V N 3.850 123.447 119.914 -0.528 0.000 2.555 68 V HA 0.351 4.272 4.120 -0.454 -0.073 0.302 68 V C -2.170 173.415 176.094 -0.847 0.000 1.038 68 V CA -2.048 59.923 62.300 -0.548 0.000 0.887 68 V CB 2.311 33.935 31.823 -0.331 0.000 0.991 68 V HN 0.154 8.053 8.190 -0.486 0.000 0.434 69 Y N 5.565 125.433 120.300 -0.720 0.000 2.409 69 Y HA 0.239 4.702 4.550 -0.339 -0.116 0.343 69 Y C -1.399 174.039 175.900 -0.769 0.000 0.973 69 Y CA -1.827 55.867 58.100 -0.678 0.000 1.064 69 Y CB 3.570 41.633 38.460 -0.661 0.000 1.207 69 Y HN 0.459 8.183 8.280 -0.926 0.000 0.452 70 E N 1.673 121.746 120.200 -0.212 0.000 2.197 70 E HA 0.351 4.543 4.350 -0.263 0.000 0.281 70 E C -1.167 175.348 176.600 -0.142 0.000 0.995 70 E CA -1.504 54.766 56.400 -0.217 0.000 0.808 70 E CB 2.003 31.579 29.700 -0.205 0.000 1.093 70 E HN 0.514 8.820 8.360 -0.089 0.000 0.394 71 G N 1.526 110.004 108.800 -0.536 0.000 2.481 71 G HA2 0.741 4.850 3.960 -0.010 0.000 0.315 71 G HA3 0.741 4.174 3.960 -0.879 0.000 0.315 71 G C -2.625 171.466 174.900 -1.348 0.000 1.231 71 G CA -1.539 43.086 45.100 -0.792 0.000 0.968 71 G HN 0.810 8.555 8.290 -0.730 0.107 0.482 72 Q N -0.604 119.013 119.800 -0.305 0.000 2.359 72 Q HA 0.757 5.240 4.340 0.015 -0.134 0.274 72 Q C -2.045 174.126 176.000 0.285 0.000 1.074 72 Q CA -1.445 54.379 55.803 0.036 0.000 0.810 72 Q CB 5.251 34.038 28.738 0.083 0.000 1.342 72 Q HN 0.918 9.116 8.270 0.049 0.102 0.427 73 L N 4.620 126.025 121.223 0.303 0.000 2.319 73 L HA 0.708 5.215 4.340 0.014 -0.159 0.281 73 L C -2.078 174.823 176.870 0.051 0.000 1.005 73 L CA -1.093 53.809 54.840 0.103 0.000 0.828 73 L CB 3.075 45.145 42.059 0.018 0.000 1.227 73 L HN 0.925 9.233 8.230 0.333 0.122 0.415 74 I N 8.622 129.190 120.570 -0.003 0.000 2.378 74 I HA 0.658 5.046 4.170 0.042 -0.193 0.291 74 I C -1.229 174.891 176.117 0.004 0.000 0.992 74 I CA -1.479 59.828 61.300 0.011 0.000 1.154 74 I CB 2.301 40.297 38.000 -0.008 0.000 1.315 74 I HN 1.295 9.368 8.210 -0.050 0.107 0.448 75 S N 6.891 122.611 115.700 0.033 0.000 2.456 75 S HA 0.712 5.304 4.470 -0.072 -0.166 0.316 75 S C -0.562 173.996 174.600 -0.069 0.000 1.089 75 S CA -1.983 56.211 58.200 -0.010 0.000 1.101 75 S CB 0.860 64.125 63.200 0.108 0.000 0.995 75 S HN 0.735 8.973 8.310 0.054 0.105 0.468 76 I N 5.351 125.828 120.570 -0.156 0.000 2.498 76 I HA 0.297 4.413 4.170 -0.089 0.000 0.301 76 I C -0.719 175.265 176.117 -0.222 0.000 0.984 76 I CA -1.344 59.869 61.300 -0.144 0.000 1.204 76 I CB 1.832 39.756 38.000 -0.125 0.000 1.362 76 I HN 0.572 8.651 8.210 -0.219 0.000 0.471 77 Q N 2.488 122.157 119.800 -0.218 0.000 2.257 77 Q HA 0.401 4.542 4.340 -0.333 0.000 0.262 77 Q C 0.022 175.787 176.000 -0.391 0.000 0.997 77 Q CA -1.949 53.667 55.803 -0.312 0.000 0.873 77 Q CB 2.268 30.799 28.738 -0.346 0.000 1.312 77 Q HN 0.215 8.394 8.270 -0.152 0.000 0.450 78 Q N 3.581 123.075 119.800 -0.509 0.000 2.814 78 Q HA -0.409 3.160 4.340 -1.284 0.000 0.310 78 Q C -0.758 174.707 176.000 -0.891 0.000 1.277 78 Q CA 1.465 56.703 55.803 -0.943 0.000 1.082 78 Q CB -1.782 26.564 28.738 -0.653 0.000 1.242 78 Q HN 0.685 8.702 8.270 -0.421 0.000 0.464 79 Y N -3.858 116.397 120.300 -0.075 0.000 3.515 79 Y HA -0.438 4.085 4.550 -0.046 0.000 0.214 79 Y C -0.801 175.061 175.900 -0.064 0.000 1.166 79 Y CA -0.166 57.900 58.100 -0.057 0.000 1.435 79 Y CB -3.274 35.159 38.460 -0.045 0.000 1.414 79 Y HN -0.105 7.684 8.280 -0.829 -0.006 0.608 80 G N -2.165 106.581 108.800 -0.089 0.000 3.345 80 G HA2 0.239 4.163 3.960 -0.061 0.000 0.202 80 G HA3 0.239 4.035 3.960 -0.274 0.000 0.202 80 G C -1.427 173.473 174.900 0.000 0.000 1.740 80 G CA 0.111 45.137 45.100 -0.124 0.000 0.806 80 G HN -0.057 7.950 8.290 -0.188 0.170 0.718 81 H N 0.158 119.181 119.070 -0.078 0.000 2.509 81 H HA 0.134 4.680 4.556 -0.016 0.000 0.360 81 H C -1.321 173.975 175.328 -0.053 0.000 1.398 81 H CA -0.576 55.445 56.048 -0.044 0.000 1.429 81 H CB 1.444 31.195 29.762 -0.017 0.000 1.611 81 H HN -0.002 8.085 8.280 -0.321 0.000 0.606 82 Q N -2.982 116.898 119.800 0.133 0.000 2.377 82 Q HA 0.567 5.088 4.340 0.032 -0.161 0.279 82 Q C -1.323 174.718 176.000 0.069 0.000 1.049 82 Q CA -1.013 54.826 55.803 0.060 0.000 0.825 82 Q CB 3.849 32.606 28.738 0.033 0.000 1.401 82 Q HN 0.087 8.443 8.270 0.143 0.000 0.404 83 E N 1.833 122.073 120.200 0.065 0.000 2.314 83 E HA 0.341 4.731 4.350 0.066 0.000 0.272 83 E C -2.469 174.170 176.600 0.065 0.000 0.884 83 E CA -1.285 55.161 56.400 0.076 0.000 0.753 83 E CB 4.027 33.796 29.700 0.115 0.000 1.213 83 E HN 0.411 8.799 8.360 0.048 0.000 0.432 84 V N 4.319 124.271 119.914 0.065 0.000 2.656 84 V HA 0.394 4.684 4.120 0.068 -0.129 0.307 84 V C -1.366 174.779 176.094 0.086 0.000 1.051 84 V CA -1.851 60.490 62.300 0.069 0.000 0.893 84 V CB 3.031 34.889 31.823 0.058 0.000 0.999 84 V HN 0.243 8.469 8.190 0.061 0.000 0.426 85 T N 9.170 123.792 114.554 0.113 0.000 2.863 85 T HA 0.357 4.781 4.350 0.123 0.000 0.285 85 T C -1.606 173.211 174.700 0.195 0.000 1.009 85 T CA -0.826 61.364 62.100 0.150 0.000 0.989 85 T CB 2.851 71.819 68.868 0.168 0.000 1.004 85 T HN 0.858 9.050 8.240 0.115 0.117 0.455 86 R N 6.281 126.886 120.500 0.176 0.000 2.562 86 R HA 0.419 4.894 4.340 0.046 -0.108 0.298 86 R C -1.705 174.734 176.300 0.231 0.000 0.961 86 R CA -1.052 55.118 56.100 0.117 0.000 0.881 86 R CB 2.647 32.965 30.300 0.030 0.000 1.159 86 R HN 0.304 8.665 8.270 0.153 0.000 0.450 87 F N 3.043 123.063 119.950 0.116 0.000 2.686 87 F HA 0.530 5.125 4.527 0.113 0.000 0.311 87 F C -2.857 173.052 175.800 0.181 0.000 1.128 87 F CA -1.953 56.132 58.000 0.142 0.000 0.946 87 F CB 3.545 42.641 39.000 0.160 0.000 1.336 87 F HN 0.924 8.860 8.300 -0.443 0.098 0.457 88 D N -1.254 119.358 120.400 0.354 0.000 2.661 88 D HA 0.490 5.274 4.640 0.070 -0.103 0.228 88 D C -1.839 174.700 176.300 0.397 0.000 1.210 88 D CA -1.079 53.039 54.000 0.198 0.000 0.826 88 D CB 2.986 43.783 40.800 -0.004 0.000 1.542 88 D HN -0.057 8.583 8.370 0.451 0.000 0.447 89 F N -3.945 116.092 119.950 0.145 0.000 2.715 89 F HA 0.474 5.072 4.527 0.119 0.000 0.318 89 F C -2.343 173.457 175.800 0.001 0.000 1.141 89 F CA -1.795 56.264 58.000 0.098 0.000 0.950 89 F CB 2.428 41.499 39.000 0.118 0.000 1.374 89 F HN 0.615 8.634 8.300 -0.468 0.000 0.477 90 T N -0.803 113.837 114.554 0.144 0.000 2.942 90 T HA 0.245 4.506 4.350 -0.148 0.000 0.289 90 T C -0.490 174.300 174.700 0.150 0.000 1.044 90 T CA -1.932 60.181 62.100 0.021 0.000 1.023 90 T CB 1.362 70.247 68.868 0.029 0.000 1.123 90 T HN 0.053 8.489 8.240 0.327 0.000 0.512 91 T N 6.186 120.800 114.554 0.100 0.000 2.881 91 T HA 0.338 4.811 4.350 0.204 0.000 0.291 91 T C -1.543 173.207 174.700 0.083 0.000 0.990 91 T CA -0.472 61.722 62.100 0.157 0.000 0.976 91 T CB 2.269 71.287 68.868 0.250 0.000 0.970 91 T HN 0.429 8.678 8.240 0.015 0.000 0.438 92 T N 2.293 116.889 114.554 0.070 0.000 2.893 92 T HA 0.314 4.679 4.350 0.025 0.000 0.291 92 T C -0.950 173.755 174.700 0.008 0.000 1.028 92 T CA -2.722 59.398 62.100 0.032 0.000 0.995 92 T CB 2.816 71.702 68.868 0.030 0.000 1.051 92 T HN 0.137 8.435 8.240 0.095 0.000 0.470 93 S N 2.456 118.153 115.700 -0.005 0.000 2.383 93 S HA -0.180 4.260 4.470 -0.050 0.000 0.227 93 S C -0.331 174.252 174.600 -0.028 0.000 1.026 93 S CA 2.385 60.569 58.200 -0.026 0.000 0.981 93 S CB 0.064 63.258 63.200 -0.009 0.000 0.818 93 S HN 0.657 8.969 8.310 0.005 0.000 0.472 94 T N -5.106 109.442 114.554 -0.010 0.000 2.601 94 T HA -0.109 4.238 4.350 -0.005 0.000 0.142 94 T C -1.756 172.944 174.700 -0.000 0.000 2.720 94 T CA -0.243 61.852 62.100 -0.008 0.000 1.007 94 T CB -0.305 68.552 68.868 -0.018 0.000 2.568 94 T HN -0.441 7.782 8.240 -0.002 0.015 0.248 95 S N 3.079 118.779 115.700 0.000 0.000 2.482 95 S HA 0.415 4.887 4.470 0.005 0.000 0.303 95 S C -1.221 173.382 174.600 0.006 0.000 1.091 95 S CA -0.411 57.791 58.200 0.004 0.000 1.057 95 S CB 0.890 64.093 63.200 0.004 0.000 1.031 95 S HN -0.099 8.210 8.310 -0.002 0.000 0.485 96 T N 2.898 117.456 114.554 0.007 0.000 2.896 96 T HA 0.463 4.819 4.350 0.009 0.000 0.297 96 T C -2.355 172.349 174.700 0.008 0.000 1.108 96 T CA -2.830 59.275 62.100 0.008 0.000 1.004 96 T CB 0.667 69.540 68.868 0.009 0.000 1.159 96 T HN -0.183 8.060 8.240 0.006 0.000 0.499 97 P HA 0.102 4.526 4.420 0.007 0.000 0.269 97 P C -0.434 176.871 177.300 0.008 0.000 1.215 97 P CA 0.268 63.372 63.100 0.007 0.000 0.780 97 P CB 0.728 32.432 31.700 0.007 0.000 0.898 98 V N -5.673 114.245 119.914 0.007 0.000 1.963 98 V HA -0.430 3.695 4.120 0.008 0.000 0.089 98 V C 0.570 176.669 176.094 0.007 0.000 0.495 98 V CA 1.462 63.766 62.300 0.008 0.000 1.412 98 V CB -1.949 29.880 31.823 0.009 0.000 1.645 98 V HN 0.334 8.528 8.190 0.007 0.000 0.889 99 T N -0.425 114.133 114.554 0.007 0.000 2.759 99 T HA -0.334 4.019 4.350 0.006 0.000 0.269 99 T C 0.705 175.407 174.700 0.004 0.000 1.042 99 T CA 2.206 64.309 62.100 0.006 0.000 1.140 99 T CB 0.243 69.115 68.868 0.006 0.000 0.864 99 T HN -0.634 7.492 8.240 0.007 0.118 0.455 100 S N 1.720 117.422 115.700 0.004 0.000 2.589 100 S HA -0.094 4.377 4.470 0.002 0.000 0.265 100 S C -0.824 173.777 174.600 0.002 0.000 1.342 100 S CA 0.074 58.276 58.200 0.003 0.000 1.005 100 S CB 1.034 64.236 63.200 0.003 0.000 0.909 100 S HN -0.241 8.059 8.310 0.005 0.013 0.555 101 N N 0.505 119.205 118.700 0.001 0.000 2.473 101 N HA 0.089 4.830 4.740 0.001 0.000 0.291 101 N C 0.225 175.735 175.510 0.000 0.000 1.083 101 N CA -0.210 52.840 53.050 0.000 0.000 0.951 101 N CB 0.928 39.414 38.487 -0.002 0.000 1.164 101 N HN 0.110 8.490 8.380 0.001 0.000 0.480 102 T N -0.078 114.476 114.554 0.000 0.000 2.849 102 T HA 0.012 4.363 4.350 0.001 0.000 0.284 102 T C -0.662 174.037 174.700 -0.002 0.000 1.004 102 T CA -0.239 61.861 62.100 -0.000 0.000 1.021 102 T CB 0.654 69.523 68.868 0.001 0.000 1.013 102 T HN 0.002 8.242 8.240 0.000 0.000 0.527 103 V N 1.799 121.711 119.914 -0.003 0.000 2.555 103 V HA 0.178 4.295 4.120 -0.005 0.000 0.302 103 V C -0.234 175.855 176.094 -0.008 0.000 1.038 103 V CA -0.515 61.781 62.300 -0.005 0.000 0.887 103 V CB 1.941 33.762 31.823 -0.005 0.000 0.991 103 V HN 0.202 8.390 8.190 -0.003 0.000 0.434 104 T N 6.896 121.445 114.554 -0.009 0.000 2.884 104 T HA 0.126 4.467 4.350 -0.014 0.000 0.298 104 T C 0.157 174.849 174.700 -0.014 0.000 0.998 104 T CA 0.788 62.881 62.100 -0.012 0.000 1.124 104 T CB 0.541 69.401 68.868 -0.012 0.000 0.931 104 T HN 0.138 8.373 8.240 -0.008 0.000 0.531 105 G N 3.668 112.457 108.800 -0.018 0.000 2.619 105 G HA2 0.119 4.070 3.960 -0.016 0.000 0.305 105 G HA3 0.119 4.069 3.960 -0.017 0.000 0.305 105 G C -1.788 173.097 174.900 -0.025 0.000 1.330 105 G CA 0.395 45.484 45.100 -0.019 0.000 0.789 105 G HN -0.267 8.011 8.290 -0.021 0.000 0.487 106 E N -1.043 119.142 120.200 -0.025 0.000 2.338 106 E HA -0.196 4.136 4.350 -0.030 0.000 0.197 106 E C -0.240 176.334 176.600 -0.043 0.000 1.007 106 E CA 0.824 57.206 56.400 -0.030 0.000 0.849 106 E CB 0.157 29.842 29.700 -0.025 0.000 0.774 106 E HN 0.141 8.489 8.360 -0.021 0.000 0.506 107 T N 2.594 117.122 114.554 -0.044 0.000 2.916 107 T HA -0.108 4.200 4.350 -0.070 0.000 0.303 107 T C -0.402 174.248 174.700 -0.083 0.000 1.025 107 T CA 1.548 63.611 62.100 -0.062 0.000 1.142 107 T CB 0.451 69.291 68.868 -0.047 0.000 0.947 107 T HN -0.365 7.799 8.240 -0.034 0.055 0.544 108 T N 7.165 121.639 114.554 -0.132 0.000 3.155 108 T HA 0.398 4.679 4.350 -0.116 0.000 0.384 108 T C -1.837 172.704 174.700 -0.266 0.000 1.351 108 T CA -2.097 59.905 62.100 -0.163 0.000 1.198 108 T CB 0.563 69.333 68.868 -0.163 0.000 1.106 108 T HN -0.060 8.089 8.240 -0.152 0.000 0.564 109 P HA -0.063 4.236 4.420 -0.202 0.000 0.267 109 P C -0.879 176.292 177.300 -0.214 0.000 1.201 109 P CA -0.321 62.676 63.100 -0.172 0.000 0.775 109 P CB 0.540 32.220 31.700 -0.033 0.000 0.854 110 F N 0.031 119.982 119.950 0.002 0.000 2.506 110 F HA 0.022 4.550 4.527 0.002 0.000 0.351 110 F C 0.466 176.268 175.800 0.002 0.000 1.136 110 F CA 0.984 58.985 58.000 0.002 0.000 1.298 110 F CB 0.665 39.666 39.000 0.002 0.000 1.145 110 F HN -0.051 8.329 8.300 0.134 0.000 0.593 111 S N 3.342 119.151 115.700 0.183 0.000 2.269 111 S HA 0.216 4.740 4.470 0.090 0.000 0.194 111 S C -1.879 172.779 174.600 0.096 0.000 1.547 111 S CA -2.365 55.896 58.200 0.103 0.000 1.186 111 S CB 0.351 63.584 63.200 0.054 0.000 1.069 111 S HN -0.044 8.393 8.310 0.211 0.000 0.473 112 P HA -0.113 4.341 4.420 0.057 0.000 0.267 112 P C -0.721 176.604 177.300 0.041 0.000 1.201 112 P CA 0.020 63.154 63.100 0.057 0.000 0.775 112 P CB 0.429 32.153 31.700 0.039 0.000 0.854 113 L N -1.135 120.107 121.223 0.032 0.000 0.606 113 L HA -0.290 4.062 4.340 0.021 0.000 0.356 113 L C -0.919 175.967 176.870 0.027 0.000 1.005 113 L CA 0.379 55.234 54.840 0.025 0.000 1.222 113 L CB -0.043 42.029 42.059 0.021 0.000 0.015 113 L HN -0.211 8.037 8.230 0.029 0.000 0.100 114 V N 1.011 120.938 119.914 0.022 0.000 2.513 114 V HA 0.169 4.303 4.120 0.022 0.000 0.299 114 V C 0.195 176.299 176.094 0.016 0.000 1.035 114 V CA -1.057 61.255 62.300 0.020 0.000 0.889 114 V CB 1.283 33.117 31.823 0.018 0.000 0.988 114 V HN 0.010 8.211 8.190 0.019 0.000 0.440 115 A N 6.308 129.136 122.820 0.015 0.000 6.544 115 A HA -0.273 4.054 4.320 0.012 0.000 0.333 115 A C -1.256 176.335 177.584 0.012 0.000 1.988 115 A CA 0.779 52.824 52.037 0.012 0.000 1.009 115 A CB -0.244 18.762 19.000 0.010 0.000 1.143 115 A HN -0.043 8.116 8.150 0.016 0.000 0.450 116 T N 1.214 115.774 114.554 0.011 0.000 2.863 116 T HA 0.137 4.494 4.350 0.011 0.000 0.285 116 T C 0.052 174.758 174.700 0.009 0.000 1.009 116 T CA -0.363 61.743 62.100 0.010 0.000 0.989 116 T CB 1.649 70.523 68.868 0.010 0.000 1.004 116 T HN -0.075 8.171 8.240 0.010 0.000 0.455 117 S N 4.412 120.117 115.700 0.009 0.000 2.576 117 S HA -0.047 4.428 4.470 0.008 0.000 0.272 117 S C 0.503 175.108 174.600 0.007 0.000 1.352 117 S CA 0.520 58.725 58.200 0.008 0.000 1.021 117 S CB 0.730 63.935 63.200 0.008 0.000 0.887 117 S HN 0.115 8.431 8.310 0.010 0.000 0.542 118 E N 1.426 121.630 120.200 0.006 0.000 2.160 118 E HA -0.252 4.102 4.350 0.006 0.000 0.195 118 E C -0.010 176.594 176.600 0.006 0.000 0.991 118 E CA 1.821 58.224 56.400 0.006 0.000 0.810 118 E CB 0.254 29.957 29.700 0.005 0.000 0.742 118 E HN 0.333 8.697 8.360 0.006 0.000 0.466 119 S N -1.268 114.435 115.700 0.006 0.000 2.513 119 S HA 0.192 4.666 4.470 0.006 0.000 0.299 119 S C -1.449 173.155 174.600 0.007 0.000 1.087 119 S CA -0.957 57.247 58.200 0.006 0.000 1.012 119 S CB 0.750 63.953 63.200 0.005 0.000 1.044 119 S HN -0.572 7.724 8.310 0.006 0.017 0.485 120 V N 0.792 120.710 119.914 0.007 0.000 3.001 120 V HA 0.530 4.655 4.120 0.008 0.000 0.314 120 V C -1.020 175.079 176.094 0.008 0.000 1.099 120 V CA -1.432 60.873 62.300 0.008 0.000 0.989 120 V CB 1.875 33.704 31.823 0.009 0.000 1.040 120 V HN -0.037 8.157 8.190 0.007 0.000 0.434 121 T N 0.733 115.292 114.554 0.008 0.000 2.942 121 T HA 0.420 4.773 4.350 0.006 0.000 0.289 121 T C -0.536 174.169 174.700 0.009 0.000 1.044 121 T CA -1.161 60.944 62.100 0.007 0.000 1.023 121 T CB 1.755 70.627 68.868 0.007 0.000 1.123 121 T HN -0.080 8.166 8.240 0.009 0.000 0.512 122 E N 1.108 121.312 120.200 0.007 0.000 3.361 122 E HA 0.220 4.577 4.350 0.011 0.000 0.379 122 E C -0.713 175.891 176.600 0.006 0.000 0.442 122 E CA -0.848 55.557 56.400 0.008 0.000 2.366 122 E CB 0.944 30.648 29.700 0.005 0.000 2.164 122 E HN 0.104 8.467 8.360 0.004 0.000 0.446 123 I N -0.358 120.212 120.570 -0.000 0.000 2.493 123 I HA 0.157 4.326 4.170 -0.003 0.000 0.298 123 I C -0.815 175.289 176.117 -0.022 0.000 0.998 123 I CA -0.373 60.922 61.300 -0.009 0.000 1.137 123 I CB 1.086 39.079 38.000 -0.013 0.000 1.310 123 I HN -0.141 8.068 8.210 -0.001 0.000 0.445 124 T N 4.734 119.271 114.554 -0.028 0.000 2.906 124 T HA 0.237 4.566 4.350 -0.033 0.000 0.295 124 T C -0.099 174.571 174.700 -0.049 0.000 1.075 124 T CA -1.588 60.493 62.100 -0.032 0.000 1.005 124 T CB 2.008 70.866 68.868 -0.017 0.000 1.136 124 T HN 0.005 8.230 8.240 -0.024 0.000 0.498 125 A N 4.983 127.774 122.820 -0.050 0.000 5.330 125 A HA -0.352 3.935 4.320 -0.056 0.000 0.357 125 A C -0.042 177.479 177.584 -0.104 0.000 1.623 125 A CA 1.683 53.685 52.037 -0.057 0.000 0.744 125 A CB -0.983 18.000 19.000 -0.028 0.000 1.497 125 A HN 0.158 8.284 8.150 -0.040 0.000 0.422 126 S N -3.309 112.340 115.700 -0.085 0.000 2.967 126 S HA -0.438 4.001 4.470 -0.052 0.000 0.297 126 S C -0.825 173.570 174.600 -0.342 0.000 1.312 126 S CA 0.604 58.715 58.200 -0.150 0.000 1.163 126 S CB -1.203 61.895 63.200 -0.169 0.000 1.377 126 S HN 0.484 8.770 8.310 -0.040 0.000 0.724 127 S N 0.366 115.928 115.700 -0.231 0.000 2.572 127 S HA -0.045 4.362 4.470 -0.423 -0.191 0.262 127 S C -0.361 174.205 174.600 -0.057 0.000 1.375 127 S CA 0.852 58.900 58.200 -0.254 0.000 0.996 127 S CB 1.111 64.241 63.200 -0.117 0.000 0.892 127 S HN -0.760 7.324 8.310 -0.142 0.141 0.562 128 F N -0.322 119.539 119.950 -0.148 0.000 2.576 128 F HA 0.255 4.734 4.527 -0.080 0.000 0.313 128 F C -1.241 174.509 175.800 -0.084 0.000 1.078 128 F CA -1.500 56.433 58.000 -0.111 0.000 0.921 128 F CB 4.473 43.393 39.000 -0.134 0.000 1.232 128 F HN -0.017 8.124 8.300 -0.084 0.109 0.459 129 V N 3.535 123.526 119.914 0.129 0.000 2.325 129 V HA 0.348 4.656 4.120 0.044 -0.162 0.280 129 V C -1.358 174.742 176.094 0.011 0.000 1.016 129 V CA -0.673 61.652 62.300 0.041 0.000 0.818 129 V CB 1.316 33.141 31.823 0.003 0.000 1.019 129 V HN 0.226 8.475 8.190 0.098 0.000 0.434 130 V N 9.018 128.964 119.914 0.054 0.000 2.513 130 V HA 0.320 4.455 4.120 0.024 0.000 0.299 130 V C -1.347 174.767 176.094 0.033 0.000 1.035 130 V CA -2.227 60.123 62.300 0.085 0.000 0.889 130 V CB 2.755 34.692 31.823 0.190 0.000 0.988 130 V HN 0.390 8.635 8.190 0.091 0.000 0.440 131 S N 4.131 119.812 115.700 -0.031 0.000 2.568 131 S HA 0.482 4.581 4.470 -0.784 -0.100 0.293 131 S C -1.386 173.175 174.600 -0.064 0.000 1.089 131 S CA -1.149 56.862 58.200 -0.315 0.000 0.945 131 S CB 2.486 65.501 63.200 -0.308 0.000 1.077 131 S HN -0.095 8.224 8.310 0.015 0.000 0.485 132 W N 1.404 122.621 121.300 -0.137 0.000 3.307 132 W HA 0.349 4.954 4.660 -0.092 0.000 0.376 132 W C -2.661 173.778 176.519 -0.132 0.000 1.113 132 W CA -1.481 55.788 57.345 -0.127 0.000 1.087 132 W CB -0.120 29.256 29.460 -0.139 0.000 1.511 132 W HN 0.370 7.774 8.180 -1.293 0.000 0.604 133 V N 0.185 120.255 119.914 0.259 0.000 2.487 133 V HA 0.256 4.380 4.120 0.007 0.000 0.298 133 V C 0.289 176.552 176.094 0.281 0.000 1.028 133 V CA -1.913 60.472 62.300 0.142 0.000 0.860 133 V CB 2.052 33.932 31.823 0.096 0.000 0.991 133 V HN 0.131 8.555 8.190 0.389 0.000 0.427 134 S N 7.979 123.825 115.700 0.243 0.000 3.737 134 S HA -0.214 4.709 4.470 0.756 0.000 0.182 134 S C 0.902 175.691 174.600 0.315 0.000 1.072 134 S CA -0.049 58.423 58.200 0.454 0.000 1.014 134 S CB -2.086 61.380 63.200 0.442 0.000 1.471 134 S HN 0.805 9.183 8.310 0.112 0.000 0.447 135 A N 2.599 125.577 122.820 0.263 0.000 2.283 135 A HA -0.219 4.177 4.320 0.126 0.000 0.201 135 A C -0.640 177.024 177.584 0.133 0.000 1.382 135 A CA 1.077 53.210 52.037 0.161 0.000 0.900 135 A CB -1.148 17.930 19.000 0.130 0.000 0.732 135 A HN 1.144 9.385 8.150 0.299 0.088 0.552 136 S N -4.431 111.363 115.700 0.157 0.000 2.639 136 S HA -0.004 4.510 4.470 0.073 0.000 0.319 136 S C -1.330 173.331 174.600 0.103 0.000 0.991 136 S CA -0.645 57.613 58.200 0.097 0.000 0.858 136 S CB 1.330 64.563 63.200 0.056 0.000 1.068 136 S HN 0.226 8.401 8.310 0.216 0.264 0.458 137 D N 3.838 124.280 120.400 0.071 0.000 2.349 137 D HA 0.078 4.777 4.640 0.097 0.000 0.215 137 D C 0.694 177.014 176.300 0.033 0.000 1.016 137 D CA 1.132 55.172 54.000 0.067 0.000 0.870 137 D CB 0.158 40.991 40.800 0.055 0.000 0.917 137 D HN 0.506 8.910 8.370 0.057 0.000 0.524 138 T N -7.400 107.160 114.554 0.010 0.000 3.129 138 T HA -0.143 4.202 4.350 -0.008 0.000 0.251 138 T C -0.358 174.309 174.700 -0.056 0.000 1.117 138 T CA -0.368 61.722 62.100 -0.016 0.000 1.034 138 T CB -0.024 68.832 68.868 -0.019 0.000 0.968 138 T HN -0.377 7.817 8.240 0.016 0.056 0.526 139 V N 2.214 122.080 119.914 -0.080 0.000 2.655 139 V HA -0.273 3.864 4.120 -0.207 -0.142 0.300 139 V C 0.064 176.050 176.094 -0.180 0.000 1.044 139 V CA 1.078 63.256 62.300 -0.204 0.000 1.095 139 V CB 0.705 32.292 31.823 -0.394 0.000 0.952 139 V HN -0.771 7.319 8.190 -0.035 0.079 0.485 140 S N 5.461 121.044 115.700 -0.196 0.000 2.503 140 S HA 0.101 4.525 4.470 -0.075 0.000 0.215 140 S C -0.460 174.071 174.600 -0.114 0.000 1.003 140 S CA 0.818 58.943 58.200 -0.124 0.000 0.910 140 S CB 1.823 64.949 63.200 -0.124 0.000 0.790 140 S HN 1.260 9.288 8.310 -0.225 0.146 0.514 141 G N -0.102 108.554 108.800 -0.240 0.000 2.349 141 G HA2 0.216 4.184 3.960 -0.011 0.000 0.294 141 G HA3 0.216 4.160 3.960 -0.026 0.001 0.294 141 G C -3.530 171.132 174.900 -0.397 0.000 1.380 141 G CA 0.623 45.632 45.100 -0.151 0.000 0.811 141 G HN -0.813 7.211 8.290 -0.373 0.042 0.519 142 F N -2.281 117.757 119.950 0.148 0.000 2.561 142 F HA 0.852 5.558 4.527 0.086 -0.127 0.321 142 F C -1.630 174.251 175.800 0.136 0.000 1.065 142 F CA -1.412 56.671 58.000 0.137 0.000 0.934 142 F CB 5.524 44.674 39.000 0.251 0.000 1.215 142 F HN 1.059 9.423 8.300 0.339 0.140 0.471 143 R N 2.122 122.797 120.500 0.291 0.000 2.502 143 R HA 0.864 5.629 4.340 0.311 -0.238 0.300 143 R C -1.939 174.516 176.300 0.259 0.000 0.984 143 R CA -1.283 54.985 56.100 0.281 0.000 0.882 143 R CB 3.622 34.062 30.300 0.232 0.000 1.180 143 R HN 1.125 9.455 8.270 0.272 0.104 0.444 144 V N 7.353 127.419 119.914 0.253 0.000 2.483 144 V HA 0.426 4.741 4.120 0.077 -0.148 0.295 144 V C -1.757 174.537 176.094 0.334 0.000 1.035 144 V CA -0.664 61.759 62.300 0.205 0.000 0.896 144 V CB 2.339 34.277 31.823 0.192 0.000 0.986 144 V HN 1.018 9.271 8.190 0.296 0.115 0.447 145 E N 6.842 127.241 120.200 0.332 0.000 2.224 145 E HA 1.060 5.834 4.350 0.213 -0.296 0.265 145 E C -1.740 175.051 176.600 0.317 0.000 0.878 145 E CA -2.656 53.919 56.400 0.292 0.000 0.759 145 E CB 3.821 33.704 29.700 0.306 0.000 1.164 145 E HN 0.202 8.716 8.360 0.256 0.000 0.414 146 Y N 2.351 122.760 120.300 0.182 0.000 2.457 146 Y HA 1.207 6.220 4.550 0.215 -0.334 0.343 146 Y C -1.896 174.150 175.900 0.243 0.000 0.994 146 Y CA -2.775 55.451 58.100 0.210 0.000 1.031 146 Y CB 3.060 41.633 38.460 0.187 0.000 1.246 146 Y HN 0.058 8.103 8.280 -0.391 0.000 0.449 147 E N 0.667 121.056 120.200 0.316 0.000 2.433 147 E HA 0.448 4.922 4.350 0.206 0.000 0.278 147 E C -1.830 174.871 176.600 0.167 0.000 0.976 147 E CA -2.530 53.994 56.400 0.208 0.000 0.793 147 E CB 4.404 34.148 29.700 0.074 0.000 1.311 147 E HN -0.078 8.503 8.360 0.368 0.000 0.460 148 L N 1.189 122.386 121.223 -0.043 0.000 2.418 148 L HA 0.187 4.273 4.340 -0.712 -0.173 0.274 148 L C 1.375 178.162 176.870 -0.140 0.000 1.135 148 L CA 0.311 54.956 54.840 -0.326 0.000 0.870 148 L CB 0.133 42.002 42.059 -0.318 0.000 1.154 148 L HN 0.552 8.789 8.230 0.012 0.000 0.462 149 S N 4.222 119.845 115.700 -0.128 0.000 2.555 149 S HA -0.186 4.279 4.470 -0.008 0.000 0.230 149 S C 0.426 174.998 174.600 -0.047 0.000 0.978 149 S CA 2.279 60.455 58.200 -0.040 0.000 0.934 149 S CB 0.109 63.306 63.200 -0.005 0.000 0.766 149 S HN 0.898 8.964 8.310 -0.200 0.124 0.533 150 E N 1.458 121.609 120.200 -0.082 0.000 2.176 150 E HA -0.094 4.235 4.350 -0.034 0.000 0.194 150 E C 1.322 177.894 176.600 -0.047 0.000 0.947 150 E CA 0.755 57.121 56.400 -0.056 0.000 0.960 150 E CB -0.113 29.549 29.700 -0.062 0.000 1.002 150 E HN -0.332 7.869 8.360 -0.139 0.075 0.479 151 E N -1.683 118.479 120.200 -0.063 0.000 2.110 151 E HA -0.233 4.101 4.350 -0.026 0.000 0.193 151 E C 1.022 177.606 176.600 -0.027 0.000 0.988 151 E CA 0.934 57.310 56.400 -0.039 0.000 0.804 151 E CB 0.098 29.773 29.700 -0.042 0.000 0.745 151 E HN 0.170 8.473 8.360 -0.096 0.000 0.458 152 G N -0.238 108.542 108.800 -0.034 0.000 2.162 152 G HA2 -0.392 3.679 3.960 -0.011 0.000 0.260 152 G HA3 -0.392 3.564 3.960 -0.007 0.000 0.260 152 G C -1.003 173.895 174.900 -0.004 0.000 0.976 152 G CA -0.132 44.959 45.100 -0.014 0.000 0.655 152 G HN -0.508 7.730 8.290 -0.060 0.015 0.533 153 D N -0.812 119.585 120.400 -0.005 0.000 2.027 153 D HA -0.270 4.376 4.640 0.010 0.000 0.227 153 D C -0.653 175.654 176.300 0.012 0.000 1.419 153 D CA 1.032 55.039 54.000 0.010 0.000 0.910 153 D CB 0.884 41.699 40.800 0.026 0.000 1.499 153 D HN -0.338 7.953 8.370 -0.019 0.067 0.569 154 E N -2.352 117.857 120.200 0.014 0.000 2.313 154 E HA 0.028 4.382 4.350 0.007 0.000 0.276 154 E C -1.605 174.985 176.600 -0.017 0.000 1.031 154 E CA -2.055 54.349 56.400 0.006 0.000 0.857 154 E CB -0.524 29.183 29.700 0.012 0.000 1.040 154 E HN 0.179 8.551 8.360 0.020 0.000 0.408 155 P HA -0.013 4.340 4.420 -0.113 0.000 0.275 155 P C -0.970 176.250 177.300 -0.133 0.000 1.228 155 P CA -0.523 62.531 63.100 -0.078 0.000 0.786 155 P CB 0.780 32.469 31.700 -0.018 0.000 0.927 156 Q N 1.585 121.153 119.800 -0.386 0.000 2.345 156 Q HA 0.396 4.661 4.340 -0.125 0.000 0.268 156 Q C -1.320 174.554 176.000 -0.210 0.000 1.054 156 Q CA -1.060 54.507 55.803 -0.393 0.000 0.835 156 Q CB 4.067 32.362 28.738 -0.739 0.000 1.339 156 Q HN -0.042 7.872 8.270 -0.593 0.000 0.447 157 Y N -1.119 119.154 120.300 -0.045 0.000 2.446 157 Y HA 1.071 5.950 4.550 0.103 -0.267 0.345 157 Y C -1.557 174.440 175.900 0.162 0.000 0.984 157 Y CA -2.893 55.253 58.100 0.077 0.000 1.058 157 Y CB 2.620 41.118 38.460 0.062 0.000 1.220 157 Y HN 0.076 8.320 8.280 -0.061 0.000 0.455 158 L N 2.696 124.036 121.223 0.195 0.000 2.381 158 L HA 0.321 4.607 4.340 -0.091 0.000 0.274 158 L C -1.784 175.257 176.870 0.286 0.000 0.988 158 L CA -1.145 53.772 54.840 0.127 0.000 0.824 158 L CB 3.323 45.491 42.059 0.181 0.000 1.263 158 L HN 0.627 8.961 8.230 0.346 0.103 0.410 159 D N 4.238 124.804 120.400 0.276 0.000 2.193 159 D HA 0.767 5.809 4.640 0.320 -0.210 0.244 159 D C -1.003 175.452 176.300 0.258 0.000 1.064 159 D CA -1.074 53.105 54.000 0.300 0.000 0.845 159 D CB 1.204 42.190 40.800 0.310 0.000 1.148 159 D HN 0.065 8.549 8.370 0.191 0.000 0.464 160 L N 3.792 125.200 121.223 0.308 0.000 2.333 160 L HA 0.634 5.120 4.340 0.243 0.000 0.263 160 L C -2.006 175.065 176.870 0.335 0.000 1.014 160 L CA -3.574 51.456 54.840 0.318 0.000 0.820 160 L CB 2.982 45.279 42.059 0.397 0.000 1.352 160 L HN 0.824 9.139 8.230 0.344 0.121 0.421 161 P HA 0.232 4.761 4.420 0.182 0.000 0.272 161 P C 0.834 178.359 177.300 0.375 0.000 1.230 161 P CA -0.834 62.413 63.100 0.243 0.000 0.788 161 P CB 0.534 32.339 31.700 0.175 0.000 0.949 162 S N -0.339 115.499 115.700 0.230 0.000 2.493 162 S HA -0.326 4.222 4.470 0.129 0.000 0.243 162 S C 0.633 175.499 174.600 0.442 0.000 0.991 162 S CA 3.014 61.365 58.200 0.251 0.000 0.957 162 S CB -0.658 62.575 63.200 0.055 0.000 0.756 162 S HN 0.387 8.779 8.310 0.135 0.000 0.521 163 T N -5.016 109.714 114.554 0.293 0.000 3.081 163 T HA -0.025 4.435 4.350 0.183 0.000 0.250 163 T C -0.989 173.792 174.700 0.134 0.000 1.100 163 T CA -0.635 61.578 62.100 0.190 0.000 1.038 163 T CB 0.170 69.106 68.868 0.114 0.000 0.962 163 T HN -0.416 7.894 8.240 0.248 0.079 0.516 164 A N 2.083 125.022 122.820 0.198 0.000 2.363 164 A HA 0.122 4.411 4.320 -0.051 0.000 0.270 164 A C -0.769 176.639 177.584 -0.292 0.000 1.121 164 A CA 0.091 52.140 52.037 0.020 0.000 0.800 164 A CB 0.918 20.010 19.000 0.153 0.000 1.052 164 A HN 0.072 8.245 8.150 0.363 0.195 0.493 165 T N -3.342 110.876 114.554 -0.560 0.000 3.275 165 T HA 0.067 3.531 4.350 -1.476 0.000 0.298 165 T C -1.700 172.030 174.700 -1.617 0.000 0.988 165 T CA -0.787 60.640 62.100 -1.122 0.000 0.936 165 T CB 0.401 68.882 68.868 -0.644 0.000 1.159 165 T HN 0.247 8.233 8.240 -0.423 0.000 0.519 166 S N 0.245 115.188 115.700 -1.262 0.000 2.558 166 S HA 0.645 4.429 4.470 -1.410 -0.159 0.277 166 S C -2.773 171.559 174.600 -0.446 0.000 1.143 166 S CA -0.371 57.239 58.200 -0.983 0.000 0.865 166 S CB 2.612 65.493 63.200 -0.532 0.000 1.102 166 S HN -0.815 6.998 8.310 -0.829 0.000 0.454 167 V N 0.156 119.965 119.914 -0.175 0.000 3.120 167 V HA 0.317 4.433 4.120 -0.007 0.000 0.303 167 V C -2.720 173.401 176.094 0.046 0.000 1.238 167 V CA -1.209 61.114 62.300 0.037 0.000 1.008 167 V CB 3.669 35.637 31.823 0.242 0.000 1.064 167 V HN 0.738 8.828 8.190 -0.167 0.000 0.434 168 N N 5.256 123.967 118.700 0.017 0.000 2.424 168 N HA 0.648 5.643 4.740 0.018 -0.244 0.271 168 N C -0.729 174.752 175.510 -0.049 0.000 0.985 168 N CA -1.255 51.793 53.050 -0.004 0.000 0.921 168 N CB 1.480 39.956 38.487 -0.018 0.000 1.149 168 N HN 0.086 8.475 8.380 0.014 0.000 0.492 169 I N 5.415 125.923 120.570 -0.103 0.000 2.287 169 I HA 0.449 4.450 4.170 -0.282 0.000 0.290 169 I C -2.059 173.853 176.117 -0.341 0.000 1.069 169 I CA -2.815 58.304 61.300 -0.303 0.000 1.237 169 I CB -0.296 37.390 38.000 -0.523 0.000 1.418 169 I HN 0.659 8.736 8.210 -0.032 0.113 0.481 170 P HA 0.338 4.624 4.420 -0.224 0.000 0.301 170 P C -0.456 176.704 177.300 -0.232 0.000 1.309 170 P CA -0.910 62.061 63.100 -0.216 0.000 0.782 170 P CB 1.155 32.783 31.700 -0.120 0.000 1.282 171 D N -5.504 114.796 120.400 -0.168 0.000 2.870 171 D HA -0.329 4.258 4.640 -0.088 0.000 0.228 171 D C -0.900 175.297 176.300 -0.171 0.000 1.147 171 D CA 1.164 55.093 54.000 -0.119 0.000 0.757 171 D CB -1.532 39.236 40.800 -0.053 0.000 1.091 171 D HN 0.235 8.519 8.370 -0.144 0.000 0.429 172 L N -3.549 117.485 121.223 -0.314 0.000 2.375 172 L HA 0.025 4.065 4.340 -0.500 0.000 0.271 172 L C 0.266 177.018 176.870 -0.197 0.000 1.107 172 L CA -0.549 54.007 54.840 -0.473 0.000 0.806 172 L CB 1.002 42.514 42.059 -0.912 0.000 1.146 172 L HN -0.634 7.384 8.230 -0.321 0.020 0.447 173 L N 4.164 125.402 121.223 0.026 0.000 2.283 173 L HA 0.285 4.661 4.340 0.060 0.000 0.287 173 L C -2.292 174.661 176.870 0.140 0.000 1.073 173 L CA -2.097 52.826 54.840 0.138 0.000 0.822 173 L CB -0.111 42.090 42.059 0.237 0.000 1.186 173 L HN 0.443 8.765 8.230 0.154 0.000 0.436 174 P HA -0.146 4.313 4.420 0.066 0.000 0.266 174 P C 0.014 177.368 177.300 0.089 0.000 1.195 174 P CA 0.540 63.679 63.100 0.065 0.000 0.768 174 P CB 0.323 32.043 31.700 0.035 0.000 0.838 175 G N 0.703 109.565 108.800 0.104 0.000 2.147 175 G HA2 -0.421 3.591 3.960 0.086 0.000 0.244 175 G HA3 -0.421 3.577 3.960 0.063 0.000 0.244 175 G C -0.822 174.130 174.900 0.088 0.000 1.005 175 G CA 0.325 45.477 45.100 0.086 0.000 0.713 175 G HN 0.109 8.469 8.290 0.117 0.000 0.515 176 R N -1.280 119.305 120.500 0.141 0.000 2.807 176 R HA 0.388 4.731 4.340 0.005 0.000 0.276 176 R C -1.623 174.747 176.300 0.116 0.000 0.979 176 R CA -2.514 53.625 56.100 0.066 0.000 0.928 176 R CB 3.199 33.502 30.300 0.005 0.000 1.191 176 R HN 0.022 8.380 8.270 0.205 0.036 0.471 177 K N 2.323 122.697 120.400 -0.044 0.000 2.185 177 K HA 0.670 5.339 4.320 0.255 -0.196 0.269 177 K C -0.748 175.790 176.600 -0.104 0.000 0.987 177 K CA -0.797 55.527 56.287 0.060 0.000 0.865 177 K CB 1.856 34.378 32.500 0.038 0.000 1.090 177 K HN 0.354 8.532 8.250 -0.119 0.000 0.450 178 Y N 4.360 124.799 120.300 0.231 0.000 2.485 178 Y HA 0.685 5.535 4.550 0.192 -0.185 0.345 178 Y C -0.535 175.496 175.900 0.218 0.000 0.998 178 Y CA -1.619 56.630 58.100 0.248 0.000 1.059 178 Y CB 4.353 43.021 38.460 0.347 0.000 1.234 178 Y HN 0.785 9.410 8.280 0.574 0.000 0.461 179 I N 0.904 121.672 120.570 0.329 0.000 2.354 179 I HA 0.083 4.367 4.170 0.189 0.000 0.292 179 I C -1.364 174.912 176.117 0.266 0.000 0.989 179 I CA -0.375 61.061 61.300 0.228 0.000 1.188 179 I CB 1.161 39.249 38.000 0.148 0.000 1.342 179 I HN 0.963 9.263 8.210 0.329 0.107 0.457 180 V N 7.970 128.006 119.914 0.203 0.000 2.459 180 V HA 0.650 5.140 4.120 0.263 -0.212 0.295 180 V C -1.390 174.737 176.094 0.056 0.000 1.029 180 V CA -1.677 60.733 62.300 0.184 0.000 0.874 180 V CB 2.257 34.184 31.823 0.173 0.000 0.985 180 V HN 0.960 9.135 8.190 0.155 0.108 0.438 181 N N 6.938 125.642 118.700 0.008 0.000 2.430 181 N HA 0.653 5.421 4.740 -0.271 -0.191 0.290 181 N C -1.468 173.726 175.510 -0.527 0.000 1.063 181 N CA -0.587 52.309 53.050 -0.256 0.000 0.883 181 N CB 3.611 42.001 38.487 -0.162 0.000 1.465 181 N HN 0.378 8.822 8.380 0.105 0.000 0.493 182 V N 4.381 123.876 119.914 -0.698 0.000 2.394 182 V HA 0.281 4.192 4.120 -0.573 -0.135 0.282 182 V C -1.407 174.193 176.094 -0.824 0.000 1.031 182 V CA -1.151 60.681 62.300 -0.780 0.000 0.881 182 V CB 0.172 31.323 31.823 -1.120 0.000 0.982 182 V HN 1.108 8.838 8.190 -0.577 0.113 0.451 183 Y N 5.564 125.774 120.300 -0.150 0.000 2.393 183 Y HA 0.457 5.177 4.550 -0.064 -0.208 0.341 183 Y C -1.090 174.804 175.900 -0.010 0.000 0.988 183 Y CA -2.289 55.773 58.100 -0.064 0.000 1.078 183 Y CB 2.969 41.402 38.460 -0.045 0.000 1.203 183 Y HN 1.047 9.288 8.280 -0.065 0.000 0.453 184 Q N 1.959 121.820 119.800 0.101 0.000 2.256 184 Q HA 0.570 4.808 4.340 -0.339 -0.101 0.257 184 Q C -1.171 174.725 176.000 -0.172 0.000 0.936 184 Q CA -1.414 54.301 55.803 -0.146 0.000 0.903 184 Q CB 2.638 31.311 28.738 -0.108 0.000 1.263 184 Q HN 0.414 8.748 8.270 0.107 0.000 0.440 185 I N 6.704 127.103 120.570 -0.286 0.000 2.315 185 I HA 0.622 4.936 4.170 -0.137 -0.227 0.291 185 I C -0.403 175.588 176.117 -0.209 0.000 1.006 185 I CA -1.334 59.850 61.300 -0.193 0.000 1.265 185 I CB 1.252 39.157 38.000 -0.159 0.000 1.387 185 I HN 1.110 8.935 8.210 -0.464 0.107 0.475 186 S N 7.451 123.057 115.700 -0.157 0.000 2.645 186 S HA 0.362 4.891 4.470 -0.138 -0.142 0.266 186 S C 1.842 176.354 174.600 -0.147 0.000 1.258 186 S CA -1.520 56.597 58.200 -0.137 0.000 0.990 186 S CB 1.591 64.728 63.200 -0.105 0.000 0.967 186 S HN 0.644 8.872 8.310 -0.136 0.000 0.556 187 E N -0.680 119.445 120.200 -0.126 0.000 2.396 187 E HA -0.293 3.962 4.350 -0.158 0.000 0.200 187 E C -0.225 176.269 176.600 -0.176 0.000 1.023 187 E CA 2.437 58.754 56.400 -0.139 0.000 0.857 187 E CB -0.307 29.340 29.700 -0.089 0.000 0.775 187 E HN 0.278 8.577 8.360 -0.102 0.000 0.525 188 D N -5.033 115.272 120.400 -0.158 0.000 2.349 188 D HA 0.069 4.601 4.640 -0.181 0.000 0.214 188 D C 0.841 177.024 176.300 -0.195 0.000 1.063 188 D CA 0.104 54.001 54.000 -0.170 0.000 0.847 188 D CB 0.817 41.535 40.800 -0.138 0.000 0.933 188 D HN -0.796 7.425 8.370 -0.137 0.067 0.513 189 G N -0.160 108.521 108.800 -0.198 0.000 2.141 189 G HA2 -0.446 3.394 3.960 -0.200 0.000 0.242 189 G HA3 -0.446 3.377 3.960 -0.227 0.000 0.242 189 G C -0.585 174.215 174.900 -0.167 0.000 0.982 189 G CA 0.284 45.263 45.100 -0.201 0.000 0.662 189 G HN 0.037 8.015 8.290 -0.188 0.200 0.527 190 E N 0.166 120.281 120.200 -0.142 0.000 2.313 190 E HA 0.098 4.375 4.350 -0.121 0.000 0.276 190 E C -1.060 175.484 176.600 -0.094 0.000 1.031 190 E CA -0.543 55.789 56.400 -0.114 0.000 0.857 190 E CB 1.107 30.750 29.700 -0.095 0.000 1.040 190 E HN -0.488 7.743 8.360 -0.141 0.044 0.408 191 Q N 2.839 122.592 119.800 -0.079 0.000 2.274 191 Q HA 0.801 5.375 4.340 -0.023 -0.249 0.260 191 Q C -0.670 175.350 176.000 0.033 0.000 0.974 191 Q CA -1.757 54.027 55.803 -0.032 0.000 0.876 191 Q CB 2.500 31.183 28.738 -0.092 0.000 1.297 191 Q HN 0.266 8.481 8.270 -0.091 0.000 0.446 192 S N 2.264 118.027 115.700 0.105 0.000 2.614 192 S HA 0.235 4.772 4.470 0.112 0.000 0.288 192 S C -1.487 173.209 174.600 0.159 0.000 1.137 192 S CA -0.776 57.493 58.200 0.115 0.000 0.992 192 S CB 2.656 65.885 63.200 0.048 0.000 1.026 192 S HN 0.099 8.473 8.310 0.108 0.000 0.486 193 L N 8.068 129.391 121.223 0.168 0.000 2.500 193 L HA -0.009 4.326 4.340 -0.270 -0.157 0.272 193 L C 0.456 177.282 176.870 -0.074 0.000 1.149 193 L CA 0.837 55.658 54.840 -0.033 0.000 0.897 193 L CB 0.414 42.480 42.059 0.012 0.000 1.178 193 L HN 0.697 9.036 8.230 0.182 0.000 0.473 194 I N 3.356 123.835 120.570 -0.151 0.000 3.939 194 I HA 0.329 4.488 4.170 -0.019 0.000 0.313 194 I C -1.077 174.985 176.117 -0.091 0.000 1.274 194 I CA -0.024 61.233 61.300 -0.072 0.000 1.301 194 I CB 1.540 39.531 38.000 -0.016 0.000 1.105 194 I HN 0.662 8.704 8.210 -0.279 0.000 0.427 195 L N 0.968 122.074 121.223 -0.194 0.000 2.588 195 L HA 0.332 4.633 4.340 -0.066 0.000 0.263 195 L C -2.664 174.098 176.870 -0.180 0.000 0.935 195 L CA 0.552 55.313 54.840 -0.130 0.000 0.891 195 L CB 3.795 45.821 42.059 -0.055 0.000 1.318 195 L HN -0.828 7.211 8.230 -0.318 0.000 0.409 196 S N 6.012 121.651 115.700 -0.101 0.000 2.647 196 S HA 0.884 5.586 4.470 -0.104 -0.294 0.300 196 S C -1.149 173.436 174.600 -0.025 0.000 1.129 196 S CA -0.951 57.202 58.200 -0.078 0.000 1.029 196 S CB 0.765 63.929 63.200 -0.060 0.000 1.007 196 S HN 0.193 8.465 8.310 -0.063 0.000 0.484 197 T N 7.116 121.667 114.554 -0.005 0.000 2.889 197 T HA 0.292 4.645 4.350 0.005 0.000 0.315 197 T C -2.283 172.434 174.700 0.029 0.000 1.291 197 T CA -1.356 60.746 62.100 0.005 0.000 1.028 197 T CB 1.048 69.910 68.868 -0.010 0.000 1.235 197 T HN 0.994 9.233 8.240 -0.002 0.000 0.491 198 S N 4.044 119.760 115.700 0.026 0.000 2.621 198 S HA 0.812 5.493 4.470 0.112 -0.144 0.302 198 S C -0.820 173.784 174.600 0.007 0.000 1.093 198 S CA -0.975 57.261 58.200 0.060 0.000 1.017 198 S CB 2.931 66.171 63.200 0.067 0.000 1.077 198 S HN 0.067 8.384 8.310 0.012 0.000 0.517 199 Q N -1.632 118.200 119.800 0.053 0.000 2.462 199 Q HA 0.321 4.608 4.340 -0.088 0.000 0.285 199 Q C -1.989 174.123 176.000 0.187 0.000 1.035 199 Q CA -0.731 55.035 55.803 -0.063 0.000 0.799 199 Q CB 5.208 33.567 28.738 -0.631 0.000 1.452 199 Q HN 0.709 9.090 8.270 0.185 0.000 0.404 200 T N 2.906 117.555 114.554 0.158 0.000 2.912 200 T HA 0.460 5.158 4.350 0.325 -0.153 0.326 200 T C 0.716 175.610 174.700 0.323 0.000 1.080 200 T CA -1.241 61.010 62.100 0.252 0.000 1.000 200 T CB -0.042 68.904 68.868 0.130 0.000 1.008 200 T HN 0.308 8.568 8.240 0.034 0.000 0.473 201 T N 0.000 114.851 114.554 0.495 0.000 3.816 201 T HA 0.000 4.683 4.350 0.554 0.000 0.228 201 T CA 0.000 62.328 62.100 0.381 0.000 1.349 201 T CB 0.000 68.988 68.868 0.199 0.000 0.612 201 T HN 0.000 8.596 8.240 0.594 0.000 0.658