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 1psk_1_H DATA FIRST_RESID 1 DATA SEQUENCE EVQLQQSGPE LVKPGASVKI ScKTSGYTFT KYTMHWVKQS HGKSLEWIGD DATA SEQUENCE INPNNGGTNY NQKFKGTATL TVHKSSTTAY MELRSLTSED SAVYYcTSKS DATA SEQUENCE FDYWGQGTTL TVSSAKTTAP SVYPLAPVXX XXXXXAVTLG cLVKGYFPEP DATA SEQUENCE VTLTWNSXXX XSGVHTFPAV LQSDLYTLSS SVTVTSSTWP SQSITcNVAH DATA SEQUENCE PASSTKVDK 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 E HA 0.000 4.350 4.350 0.000 0.000 0.291 1 E C 0.000 176.562 176.600 -0.064 0.000 1.382 1 E CA 0.000 56.374 56.400 -0.042 0.000 0.976 1 E CB 0.000 29.679 29.700 -0.035 0.000 0.812 2 V N 6.298 126.138 119.914 -0.124 0.000 2.455 2 V HA 0.035 4.155 4.120 0.000 0.000 0.273 2 V C -1.643 174.329 176.094 -0.204 0.000 1.045 2 V CA -0.257 61.922 62.300 -0.203 0.000 0.976 2 V CB 0.079 31.588 31.823 -0.522 0.000 0.993 2 V HN 0.198 8.308 8.190 -0.133 0.000 0.475 3 Q N 6.641 126.378 119.800 -0.105 0.000 2.345 3 Q HA 0.303 4.643 4.340 0.000 0.000 0.275 3 Q C -1.734 174.255 176.000 -0.018 0.000 1.063 3 Q CA -1.686 54.075 55.803 -0.069 0.000 0.819 3 Q CB 3.417 32.130 28.738 -0.042 0.000 1.356 3 Q HN -0.113 8.024 8.270 -0.044 0.107 0.418 4 L N 1.276 122.495 121.223 -0.008 0.000 2.335 4 L HA 0.209 4.549 4.340 0.000 0.000 0.268 4 L C -1.074 175.799 176.870 0.005 0.000 1.037 4 L CA -0.527 54.322 54.840 0.014 0.000 0.895 4 L CB -0.311 41.759 42.059 0.017 0.000 1.266 4 L HN 0.527 8.749 8.230 -0.013 0.000 0.439 5 Q N 4.904 124.699 119.800 -0.009 0.000 2.472 5 Q HA 0.035 4.375 4.340 0.000 0.000 0.227 5 Q C -0.812 175.185 176.000 -0.005 0.000 1.156 5 Q CA -1.004 54.795 55.803 -0.006 0.000 0.924 5 Q CB 0.084 28.812 28.738 -0.017 0.000 1.354 5 Q HN -0.145 8.115 8.270 -0.018 0.000 0.525 6 Q N 5.168 124.978 119.800 0.015 0.000 2.417 6 Q HA -0.032 4.308 4.340 0.000 0.000 0.241 6 Q C -0.324 175.700 176.000 0.040 0.000 1.008 6 Q CA -0.323 55.501 55.803 0.036 0.000 0.901 6 Q CB 1.094 29.870 28.738 0.062 0.000 1.259 6 Q HN -0.188 8.098 8.270 0.027 0.000 0.489 7 S N 1.283 117.020 115.700 0.062 0.000 2.589 7 S HA 0.007 4.477 4.470 0.000 0.000 0.265 7 S C 0.606 175.232 174.600 0.043 0.000 1.342 7 S CA 0.273 58.503 58.200 0.051 0.000 1.005 7 S CB 0.517 63.760 63.200 0.072 0.000 0.909 7 S HN -0.070 8.295 8.310 0.092 0.000 0.555 8 G N -1.079 107.733 108.800 0.020 0.000 2.683 8 G HA2 0.022 3.982 3.960 0.000 0.000 0.260 8 G HA3 0.022 3.982 3.960 0.000 0.000 0.260 8 G C -1.548 173.358 174.900 0.011 0.000 1.238 8 G CA -1.404 43.696 45.100 0.000 0.000 0.934 8 G HN 0.062 8.361 8.290 0.015 0.000 0.534 9 P HA 0.015 4.435 4.420 0.000 0.000 0.269 9 P C -1.621 175.684 177.300 0.008 0.000 1.215 9 P CA 0.082 63.180 63.100 -0.004 0.000 0.780 9 P CB 0.477 32.153 31.700 -0.041 0.000 0.898 10 E N 1.453 121.674 120.200 0.035 0.000 2.383 10 E HA 0.294 4.644 4.350 0.000 0.000 0.275 10 E C -2.009 174.633 176.600 0.070 0.000 0.918 10 E CA -0.740 55.690 56.400 0.050 0.000 0.764 10 E CB 4.513 34.249 29.700 0.060 0.000 1.252 10 E HN 0.328 8.715 8.360 0.046 0.000 0.449 11 L N 2.303 123.577 121.223 0.086 0.000 2.341 11 L HA 0.779 5.119 4.340 0.000 0.000 0.278 11 L C -1.411 175.534 176.870 0.125 0.000 1.005 11 L CA -0.995 53.923 54.840 0.130 0.000 0.818 11 L CB 2.044 44.206 42.059 0.173 0.000 1.259 11 L HN 0.093 8.370 8.230 0.079 0.000 0.418 12 V N 1.572 121.564 119.914 0.130 0.000 2.888 12 V HA 0.436 4.556 4.120 0.000 0.000 0.309 12 V C -1.083 175.068 176.094 0.094 0.000 1.114 12 V CA -2.455 59.904 62.300 0.098 0.000 0.940 12 V CB 3.749 35.618 31.823 0.076 0.000 1.021 12 V HN 0.918 9.098 8.190 0.152 0.101 0.426 13 K N 2.244 122.685 120.400 0.069 0.000 2.469 13 K HA 0.086 4.406 4.320 0.000 0.000 0.274 13 K C -1.611 175.017 176.600 0.046 0.000 0.983 13 K CA -1.955 54.362 56.287 0.051 0.000 0.974 13 K CB -0.768 31.752 32.500 0.034 0.000 0.913 13 K HN 0.434 8.722 8.250 0.062 0.000 0.493 14 P HA 0.013 4.433 4.420 0.000 0.000 0.268 14 P C -1.211 176.103 177.300 0.024 0.000 1.485 14 P CA 0.226 63.348 63.100 0.036 0.000 1.102 14 P CB -0.897 30.820 31.700 0.029 0.000 1.501 15 G N 2.206 111.020 108.800 0.024 0.000 3.465 15 G HA2 -0.150 3.810 3.960 0.000 0.000 0.219 15 G HA3 -0.150 3.810 3.960 0.000 0.000 0.219 15 G C -1.318 173.589 174.900 0.012 0.000 0.984 15 G CA 0.033 45.141 45.100 0.014 0.000 0.864 15 G HN 0.086 8.382 8.290 0.031 0.013 0.485 16 A N 0.453 123.284 122.820 0.019 0.000 2.387 16 A HA 0.069 4.389 4.320 0.000 0.000 0.251 16 A C -1.914 175.676 177.584 0.010 0.000 1.113 16 A CA 0.201 52.247 52.037 0.016 0.000 0.794 16 A CB 0.779 19.795 19.000 0.026 0.000 1.069 16 A HN -0.223 7.827 8.150 0.026 0.116 0.506 17 S N -2.326 113.375 115.700 0.002 0.000 2.568 17 S HA 0.872 5.342 4.470 0.000 0.000 0.302 17 S C -1.189 173.405 174.600 -0.010 0.000 1.082 17 S CA -1.492 56.701 58.200 -0.011 0.000 1.009 17 S CB 1.631 64.818 63.200 -0.022 0.000 1.069 17 S HN -0.101 8.211 8.310 0.003 0.000 0.500 18 V N 3.254 123.153 119.914 -0.026 0.000 3.007 18 V HA 0.421 4.541 4.120 0.000 0.000 0.311 18 V C -2.988 173.078 176.094 -0.048 0.000 1.120 18 V CA -1.298 60.989 62.300 -0.022 0.000 0.980 18 V CB 4.364 36.182 31.823 -0.009 0.000 1.033 18 V HN 0.722 8.887 8.190 -0.041 0.000 0.429 19 K N 6.545 126.932 120.400 -0.022 0.000 2.604 19 K HA 0.507 4.827 4.320 0.000 0.000 0.247 19 K C -0.865 175.775 176.600 0.066 0.000 0.956 19 K CA -0.742 55.540 56.287 -0.009 0.000 0.896 19 K CB 1.509 33.999 32.500 -0.015 0.000 1.131 19 K HN 0.316 8.566 8.250 0.000 0.000 0.440 20 I N 7.206 127.796 120.570 0.034 0.000 2.428 20 I HA 0.124 4.294 4.170 0.000 0.000 0.289 20 I C -1.036 175.219 176.117 0.229 0.000 1.019 20 I CA 0.061 61.436 61.300 0.125 0.000 1.351 20 I CB 1.027 39.112 38.000 0.141 0.000 1.412 20 I HN 0.353 8.517 8.210 -0.077 0.000 0.513 21 S N 6.019 121.841 115.700 0.203 0.000 2.687 21 S HA 0.609 5.079 4.470 0.000 0.000 0.283 21 S C -1.395 173.270 174.600 0.108 0.000 1.170 21 S CA -1.270 56.946 58.200 0.026 0.000 1.008 21 S CB 1.948 65.144 63.200 -0.008 0.000 1.026 21 S HN 0.349 8.765 8.310 0.175 0.000 0.541 22 c N 3.094 121.667 118.600 -0.044 0.000 3.238 22 c HA 0.104 4.674 4.570 0.000 0.000 0.308 22 c C -2.009 172.025 174.090 -0.094 0.000 0.971 22 c CA -0.494 55.818 56.329 -0.029 0.000 1.207 22 c CB 0.503 42.982 42.510 -0.052 0.000 1.696 22 c HN 0.351 8.418 8.230 -0.271 0.000 0.609 23 K N 6.857 127.185 120.400 -0.120 0.000 2.315 23 K HA 0.265 4.585 4.320 0.000 0.000 0.291 23 K C -0.645 175.890 176.600 -0.108 0.000 1.074 23 K CA -0.146 56.049 56.287 -0.154 0.000 0.936 23 K CB 0.649 33.068 32.500 -0.135 0.000 1.049 23 K HN -0.268 7.925 8.250 -0.095 0.000 0.471 24 T N 3.854 118.329 114.554 -0.131 0.000 2.816 24 T HA 0.636 4.986 4.350 0.000 0.000 0.282 24 T C -0.644 174.017 174.700 -0.064 0.000 0.993 24 T CA -1.493 60.600 62.100 -0.011 0.000 0.994 24 T CB 1.194 70.158 68.868 0.161 0.000 1.025 24 T HN 0.548 8.642 8.240 -0.243 0.000 0.529 25 S N -0.519 115.207 115.700 0.042 0.000 2.567 25 S HA 0.085 4.555 4.470 0.000 0.000 0.270 25 S C -0.263 174.392 174.600 0.092 0.000 1.152 25 S CA -0.201 58.001 58.200 0.003 0.000 0.835 25 S CB 2.289 65.476 63.200 -0.022 0.000 1.115 25 S HN -0.199 8.216 8.310 0.175 0.000 0.459 26 G N 1.246 110.073 108.800 0.046 0.000 2.162 26 G HA2 -0.290 3.670 3.960 0.000 0.000 0.260 26 G HA3 -0.290 3.670 3.960 0.000 0.000 0.260 26 G C -2.349 172.654 174.900 0.171 0.000 0.976 26 G CA 1.547 46.687 45.100 0.066 0.000 0.655 26 G HN 0.500 8.792 8.290 0.003 0.000 0.533 27 Y N -5.490 114.812 120.300 0.002 0.000 2.656 27 Y HA 0.220 4.770 4.550 0.000 0.000 0.334 27 Y C -1.709 174.293 175.900 0.170 0.000 1.179 27 Y CA -3.245 54.909 58.100 0.089 0.000 1.050 27 Y CB 0.346 38.862 38.460 0.093 0.000 1.308 27 Y HN -0.758 7.515 8.280 0.067 0.047 0.456 28 T N 5.278 119.926 114.554 0.156 0.000 2.800 28 T HA -0.043 4.307 4.350 0.000 0.000 0.266 28 T C 0.936 175.581 174.700 -0.092 0.000 0.939 28 T CA 1.375 63.499 62.100 0.040 0.000 1.199 28 T CB -1.219 67.701 68.868 0.087 0.000 0.899 28 T HN 0.225 8.687 8.240 0.369 0.000 0.555 29 F N 7.323 127.018 119.950 -0.424 0.000 2.045 29 F HA -0.443 4.084 4.527 0.000 0.000 0.297 29 F C 0.801 176.526 175.800 -0.125 0.000 1.114 29 F CA 2.983 60.736 58.000 -0.411 0.000 1.207 29 F CB -0.084 38.762 39.000 -0.257 0.000 0.964 29 F HN -0.207 8.042 8.300 -0.085 0.000 0.486 30 T N -6.650 107.752 114.554 -0.253 0.000 3.035 30 T HA -0.216 4.134 4.350 0.000 0.000 0.268 30 T C 1.288 175.842 174.700 -0.244 0.000 1.109 30 T CA 1.277 63.184 62.100 -0.321 0.000 1.119 30 T CB -0.780 67.972 68.868 -0.192 0.000 0.900 30 T HN 0.128 8.335 8.240 -0.054 0.000 0.503 31 K N -0.502 119.749 120.400 -0.249 0.000 2.217 31 K HA -0.121 4.199 4.320 0.000 0.000 0.202 31 K C 0.219 176.459 176.600 -0.601 0.000 1.051 31 K CA 1.737 57.737 56.287 -0.479 0.000 0.952 31 K CB 0.642 32.711 32.500 -0.718 0.000 0.736 31 K HN -0.454 7.542 8.250 -0.166 0.154 0.453 32 Y N -3.015 117.295 120.300 0.017 0.000 2.562 32 Y HA 0.088 4.638 4.550 0.000 0.000 0.343 32 Y C -0.778 175.097 175.900 -0.041 0.000 1.025 32 Y CA -1.255 56.860 58.100 0.024 0.000 1.082 32 Y CB 2.553 41.086 38.460 0.122 0.000 1.264 32 Y HN -0.880 7.388 8.280 0.031 0.031 0.478 33 T N 2.796 117.424 114.554 0.123 0.000 2.832 33 T HA 0.080 4.430 4.350 0.000 0.000 0.296 33 T C -1.013 173.682 174.700 -0.008 0.000 0.968 33 T CA 0.139 62.227 62.100 -0.019 0.000 1.107 33 T CB 0.511 69.327 68.868 -0.086 0.000 0.916 33 T HN 0.112 8.462 8.240 0.183 0.000 0.517 34 M N 7.195 126.769 119.600 -0.043 0.000 2.146 34 M HA 0.112 4.592 4.480 0.000 0.000 0.357 34 M C -1.625 174.623 176.300 -0.086 0.000 1.261 34 M CA -1.428 53.866 55.300 -0.010 0.000 1.106 34 M CB 1.461 34.126 32.600 0.108 0.000 1.612 34 M HN 0.088 8.340 8.290 -0.064 0.000 0.470 35 H N 5.204 124.143 119.070 -0.218 0.000 2.616 35 H HA 0.626 5.182 4.556 0.000 0.000 0.353 35 H C -1.156 174.027 175.328 -0.242 0.000 1.170 35 H CA -0.984 55.002 56.048 -0.103 0.000 1.212 35 H CB 3.924 33.542 29.762 -0.240 0.000 1.653 35 H HN 0.865 9.075 8.280 -0.115 0.000 0.537 36 W N -1.401 119.924 121.300 0.042 0.000 2.619 36 W HA 0.244 4.904 4.660 0.000 0.000 0.327 36 W C -1.659 174.900 176.519 0.066 0.000 1.027 36 W CA -0.781 56.582 57.345 0.029 0.000 1.233 36 W CB 1.765 31.187 29.460 -0.064 0.000 1.370 36 W HN 0.212 8.553 8.180 0.267 0.000 0.453 37 V N 3.695 123.834 119.914 0.375 0.000 2.581 37 V HA 0.612 4.732 4.120 0.000 0.000 0.303 37 V C -1.725 174.616 176.094 0.412 0.000 1.041 37 V CA -2.336 60.211 62.300 0.412 0.000 0.907 37 V CB 2.723 34.897 31.823 0.585 0.000 0.994 37 V HN 1.047 9.340 8.190 0.364 0.116 0.442 38 K N 4.162 124.721 120.400 0.264 0.000 2.213 38 K HA 0.547 4.867 4.320 0.000 0.000 0.270 38 K C -2.114 174.542 176.600 0.094 0.000 1.002 38 K CA -1.444 54.932 56.287 0.148 0.000 0.868 38 K CB 2.532 35.129 32.500 0.162 0.000 1.093 38 K HN 0.705 8.967 8.250 0.213 0.116 0.454 39 Q N 8.158 127.925 119.800 -0.054 0.000 2.456 39 Q HA 0.362 4.702 4.340 0.000 0.000 0.252 39 Q C -1.701 174.231 176.000 -0.113 0.000 1.042 39 Q CA -1.637 54.157 55.803 -0.015 0.000 0.766 39 Q CB 0.867 29.654 28.738 0.082 0.000 1.196 39 Q HN 0.843 8.953 8.270 -0.267 0.000 0.504 40 S N 6.208 121.848 115.700 -0.101 0.000 2.614 40 S HA 0.124 4.594 4.470 0.000 0.000 0.265 40 S C 0.707 175.176 174.600 -0.219 0.000 1.303 40 S CA -0.725 57.401 58.200 -0.123 0.000 1.000 40 S CB 1.054 64.192 63.200 -0.104 0.000 0.935 40 S HN 0.283 8.554 8.310 -0.065 0.000 0.551 41 H N 3.218 122.303 119.070 0.026 0.000 1.682 41 H HA -0.426 4.130 4.556 0.000 0.000 0.142 41 H C -0.430 174.915 175.328 0.028 0.000 1.197 41 H CA 1.455 57.521 56.048 0.030 0.000 1.770 41 H CB -0.504 29.280 29.762 0.037 0.000 2.113 41 H HN 0.634 8.992 8.280 0.130 0.000 0.894 42 G N -2.343 106.361 108.800 -0.161 0.000 2.734 42 G HA2 0.123 4.083 3.960 0.000 0.000 0.293 42 G HA3 0.123 4.083 3.960 0.000 0.000 0.293 42 G C -1.510 173.320 174.900 -0.118 0.000 1.422 42 G CA -0.418 44.673 45.100 -0.014 0.000 1.177 42 G HN -0.399 7.268 8.290 -1.030 0.006 0.565 43 K N 0.208 120.563 120.400 -0.074 0.000 3.495 43 K HA -0.484 3.836 4.320 0.000 0.000 0.315 43 K C -0.675 175.880 176.600 -0.075 0.000 1.301 43 K CA 1.541 57.794 56.287 -0.056 0.000 0.985 43 K CB -0.428 32.063 32.500 -0.016 0.000 1.244 43 K HN 0.428 8.649 8.250 -0.049 0.000 0.433 44 S N 0.393 115.997 115.700 -0.160 0.000 2.835 44 S HA 0.170 4.640 4.470 0.000 0.000 0.286 44 S C -1.599 172.994 174.600 -0.011 0.000 1.194 44 S CA -0.405 57.733 58.200 -0.105 0.000 1.031 44 S CB -0.516 62.557 63.200 -0.211 0.000 1.216 44 S HN -0.457 7.623 8.310 -0.260 0.074 0.502 45 L N 5.434 126.685 121.223 0.047 0.000 2.265 45 L HA 0.279 4.619 4.340 0.000 0.000 0.288 45 L C -0.819 176.154 176.870 0.171 0.000 1.058 45 L CA -0.080 54.834 54.840 0.124 0.000 0.809 45 L CB 0.424 42.558 42.059 0.124 0.000 1.179 45 L HN -0.354 7.894 8.230 0.031 0.000 0.429 46 E N 3.100 123.428 120.200 0.214 0.000 2.234 46 E HA 0.263 4.613 4.350 0.000 0.000 0.266 46 E C -1.784 174.963 176.600 0.245 0.000 0.877 46 E CA -1.793 54.760 56.400 0.254 0.000 0.758 46 E CB 3.376 33.267 29.700 0.319 0.000 1.170 46 E HN 0.605 8.976 8.360 0.208 0.115 0.415 47 W N 6.224 127.601 121.300 0.128 0.000 2.485 47 W HA -0.011 4.649 4.660 0.000 0.000 0.315 47 W C -0.956 175.573 176.519 0.016 0.000 1.304 47 W CA 0.752 58.178 57.345 0.135 0.000 1.345 47 W CB -0.032 29.542 29.460 0.190 0.000 1.368 47 W HN 0.605 9.066 8.180 0.469 0.000 0.497 48 I N 5.986 126.179 120.570 -0.628 0.000 2.277 48 I HA -0.213 3.957 4.170 0.000 0.000 0.243 48 I C -0.748 174.811 176.117 -0.929 0.000 1.094 48 I CA 2.437 63.180 61.300 -0.929 0.000 1.393 48 I CB 0.923 38.493 38.000 -0.718 0.000 1.078 48 I HN 0.228 8.213 8.210 -0.374 0.000 0.417 49 G N -5.701 102.295 108.800 -1.340 0.000 2.336 49 G HA2 0.057 4.017 3.960 0.000 0.000 0.286 49 G HA3 0.057 4.017 3.960 0.000 0.000 0.286 49 G C -3.356 171.158 174.900 -0.643 0.000 1.269 49 G CA 0.050 44.307 45.100 -1.404 0.000 0.873 49 G HN -0.773 6.845 8.290 -1.120 0.000 0.494 50 D N -2.526 117.655 120.400 -0.365 0.000 2.643 50 D HA 0.967 5.607 4.640 0.000 0.000 0.283 50 D C -2.562 173.597 176.300 -0.234 0.000 1.242 50 D CA -1.288 52.585 54.000 -0.211 0.000 0.863 50 D CB 4.223 44.814 40.800 -0.348 0.000 1.382 50 D HN 0.543 8.618 8.370 -0.492 0.000 0.444 51 I N -3.367 117.114 120.570 -0.149 0.000 2.827 51 I HA 0.369 4.539 4.170 0.000 0.000 0.298 51 I C -2.994 173.063 176.117 -0.101 0.000 1.235 51 I CA -1.846 59.388 61.300 -0.111 0.000 1.021 51 I CB 4.321 42.297 38.000 -0.040 0.000 1.259 51 I HN -0.023 8.102 8.210 -0.142 0.000 0.427 52 N N 6.720 125.362 118.700 -0.096 0.000 2.457 52 N HA 0.444 5.184 4.740 0.000 0.000 0.250 52 N C -2.880 172.545 175.510 -0.142 0.000 0.982 52 N CA -3.111 49.871 53.050 -0.114 0.000 0.941 52 N CB 1.893 40.326 38.487 -0.090 0.000 1.120 52 N HN 0.196 8.416 8.380 -0.083 0.110 0.505 53 P HA -0.108 4.312 4.420 0.000 0.000 0.265 53 P C -0.103 177.051 177.300 -0.242 0.000 1.187 53 P CA 1.045 63.917 63.100 -0.380 0.000 0.766 53 P CB 0.514 31.645 31.700 -0.950 0.000 0.820 54 N N 2.381 121.000 118.700 -0.134 0.000 1.710 54 N HA -0.367 4.373 4.740 0.000 0.000 0.213 54 N C -0.344 175.135 175.510 -0.050 0.000 1.023 54 N CA 2.437 55.451 53.050 -0.059 0.000 4.075 54 N CB -1.277 37.167 38.487 -0.071 0.000 0.686 54 N HN 0.535 8.862 8.380 -0.088 0.000 0.276 55 N N -0.305 118.354 118.700 -0.069 0.000 2.463 55 N HA -0.027 4.713 4.740 0.000 0.000 0.181 55 N C 0.621 176.108 175.510 -0.040 0.000 1.078 55 N CA 0.372 53.392 53.050 -0.050 0.000 0.902 55 N CB 0.541 38.995 38.487 -0.056 0.000 0.970 55 N HN 0.160 8.384 8.380 -0.098 0.098 0.451 56 G N 0.044 108.819 108.800 -0.042 0.000 2.269 56 G HA2 -0.355 3.605 3.960 0.000 0.000 0.277 56 G HA3 -0.355 3.605 3.960 0.000 0.000 0.277 56 G C -0.313 174.573 174.900 -0.022 0.000 1.008 56 G CA 0.699 45.784 45.100 -0.024 0.000 0.774 56 G HN -0.182 8.028 8.290 -0.057 0.046 0.511 57 G N -0.247 108.532 108.800 -0.036 0.000 2.358 57 G HA2 -0.009 3.951 3.960 0.000 0.000 0.273 57 G HA3 -0.009 3.951 3.960 0.000 0.000 0.273 57 G C -1.509 173.360 174.900 -0.052 0.000 1.215 57 G CA -0.268 44.814 45.100 -0.029 0.000 0.910 57 G HN -0.673 7.536 8.290 -0.047 0.053 0.467 58 T N -0.559 113.968 114.554 -0.046 0.000 2.944 58 T HA 0.471 4.821 4.350 0.000 0.000 0.284 58 T C -1.144 173.489 174.700 -0.112 0.000 1.010 58 T CA -2.519 59.493 62.100 -0.146 0.000 1.025 58 T CB 1.806 70.588 68.868 -0.143 0.000 1.079 58 T HN -0.078 8.160 8.240 -0.004 0.000 0.516 59 N N 0.699 119.251 118.700 -0.245 0.000 2.616 59 N HA 0.211 4.951 4.740 0.000 0.000 0.281 59 N C -2.525 172.863 175.510 -0.204 0.000 1.145 59 N CA -0.035 52.997 53.050 -0.031 0.000 0.919 59 N CB 2.495 41.059 38.487 0.128 0.000 1.509 59 N HN -0.077 8.005 8.380 -0.497 0.000 0.537 60 Y N 1.516 121.845 120.300 0.049 0.000 2.528 60 Y HA 0.317 4.867 4.550 0.000 0.000 0.335 60 Y C -0.723 175.196 175.900 0.032 0.000 1.093 60 Y CA -1.179 56.878 58.100 -0.072 0.000 1.134 60 Y CB 2.904 41.348 38.460 -0.027 0.000 1.253 60 Y HN 0.031 8.465 8.280 0.256 0.000 0.478 61 N N 1.421 120.201 118.700 0.134 0.000 2.497 61 N HA 0.050 4.790 4.740 0.000 0.000 0.271 61 N C 1.498 177.188 175.510 0.300 0.000 1.142 61 N CA -0.310 52.931 53.050 0.318 0.000 0.965 61 N CB 1.365 40.092 38.487 0.400 0.000 1.077 61 N HN -0.065 8.316 8.380 0.002 0.000 0.462 62 Q N 6.352 126.296 119.800 0.240 0.000 2.217 62 Q HA -0.351 3.989 4.340 0.000 0.000 0.209 62 Q C 1.709 177.752 176.000 0.071 0.000 0.988 62 Q CA 2.962 58.849 55.803 0.141 0.000 0.878 62 Q CB -0.642 28.163 28.738 0.112 0.000 0.909 62 Q HN 0.630 9.060 8.270 0.265 0.000 0.424 63 K N 0.421 120.853 120.400 0.054 0.000 2.148 63 K HA -0.206 4.114 4.320 0.000 0.000 0.204 63 K C 1.144 177.525 176.600 -0.365 0.000 1.050 63 K CA 2.443 58.626 56.287 -0.175 0.000 0.942 63 K CB 0.011 32.351 32.500 -0.266 0.000 0.724 63 K HN -0.191 8.435 8.250 0.147 -0.288 0.446 64 F N -4.145 115.826 119.950 0.034 0.000 2.727 64 F HA 0.077 4.604 4.527 0.000 0.000 0.302 64 F C -0.993 174.762 175.800 -0.075 0.000 1.097 64 F CA -0.527 57.475 58.000 0.003 0.000 1.330 64 F CB 0.644 39.659 39.000 0.026 0.000 1.084 64 F HN -0.708 7.668 8.300 0.301 0.105 0.578 65 K N 0.011 120.417 120.400 0.010 0.000 2.326 65 K HA -0.153 4.167 4.320 0.000 0.000 0.275 65 K C 1.509 178.015 176.600 -0.156 0.000 1.018 65 K CA 1.222 57.398 56.287 -0.184 0.000 0.962 65 K CB 0.371 32.791 32.500 -0.134 0.000 0.953 65 K HN -0.964 7.250 8.250 0.037 0.059 0.475 66 G N 6.089 114.761 108.800 -0.213 0.000 2.729 66 G HA2 -0.335 3.625 3.960 0.000 0.000 0.216 66 G HA3 -0.335 3.625 3.960 0.000 0.000 0.216 66 G C -0.101 174.731 174.900 -0.114 0.000 1.252 66 G CA 1.188 46.204 45.100 -0.139 0.000 0.751 66 G HN 0.698 8.790 8.290 -0.331 0.000 0.527 67 T N 0.433 114.938 114.554 -0.082 0.000 2.937 67 T HA 0.023 4.373 4.350 0.000 0.000 0.260 67 T C 0.529 175.193 174.700 -0.060 0.000 1.051 67 T CA 0.823 62.894 62.100 -0.047 0.000 1.141 67 T CB 0.851 69.720 68.868 0.003 0.000 0.879 67 T HN -0.432 7.696 8.240 -0.073 0.069 0.459 68 A N 1.727 124.510 122.820 -0.061 0.000 2.310 68 A HA 0.336 4.656 4.320 0.000 0.000 0.299 68 A C -1.789 175.716 177.584 -0.133 0.000 1.147 68 A CA -0.289 51.710 52.037 -0.064 0.000 0.818 68 A CB 1.388 20.428 19.000 0.067 0.000 1.096 68 A HN -0.138 7.981 8.150 -0.051 0.000 0.495 69 T N 3.773 118.291 114.554 -0.060 0.000 3.160 69 T HA 0.241 4.591 4.350 0.000 0.000 0.344 69 T C -0.800 173.903 174.700 0.005 0.000 0.981 69 T CA 0.017 62.115 62.100 -0.003 0.000 1.170 69 T CB -0.012 68.819 68.868 -0.063 0.000 1.016 69 T HN -0.091 8.084 8.240 -0.109 0.000 0.492 70 L N 7.552 128.838 121.223 0.106 0.000 2.331 70 L HA 0.537 4.877 4.340 0.000 0.000 0.278 70 L C -0.837 176.053 176.870 0.034 0.000 1.106 70 L CA -0.211 54.589 54.840 -0.066 0.000 0.824 70 L CB -0.078 41.876 42.059 -0.176 0.000 1.142 70 L HN 0.397 8.879 8.230 0.420 0.000 0.443 71 T N -0.203 114.397 114.554 0.076 0.000 2.841 71 T HA 0.296 4.646 4.350 0.000 0.000 0.296 71 T C -2.342 172.510 174.700 0.253 0.000 1.166 71 T CA -1.449 60.727 62.100 0.127 0.000 1.007 71 T CB 2.929 71.860 68.868 0.105 0.000 1.253 71 T HN -0.096 8.191 8.240 0.078 0.000 0.511 72 V N -1.711 118.349 119.914 0.245 0.000 3.159 72 V HA 0.603 4.723 4.120 0.000 0.000 0.308 72 V C -1.724 174.561 176.094 0.319 0.000 1.190 72 V CA -1.782 60.739 62.300 0.369 0.000 1.037 72 V CB 3.608 35.601 31.823 0.284 0.000 1.060 72 V HN -0.061 8.211 8.190 0.136 0.000 0.437 73 H N 3.579 122.858 119.070 0.348 0.000 2.716 73 H HA 0.392 4.948 4.556 0.000 0.000 0.260 73 H C 0.032 175.509 175.328 0.248 0.000 1.280 73 H CA -1.049 55.149 56.048 0.249 0.000 1.506 73 H CB 0.905 30.812 29.762 0.241 0.000 1.514 73 H HN 0.348 8.975 8.280 0.578 0.000 0.502 74 K N 4.765 125.382 120.400 0.361 0.000 2.160 74 K HA -0.311 4.009 4.320 0.000 0.000 0.206 74 K C 0.391 177.118 176.600 0.213 0.000 1.047 74 K CA 3.135 59.687 56.287 0.443 0.000 0.930 74 K CB -0.236 32.407 32.500 0.239 0.000 0.720 74 K HN 0.638 9.024 8.250 0.225 0.000 0.450 75 S N -1.185 114.597 115.700 0.136 0.000 2.355 75 S HA -0.162 4.308 4.470 0.000 0.000 0.222 75 S C 0.548 175.148 174.600 0.000 0.000 1.031 75 S CA 2.292 60.533 58.200 0.069 0.000 0.993 75 S CB 0.074 63.325 63.200 0.085 0.000 0.859 75 S HN 0.066 8.453 8.310 0.157 0.017 0.453 76 S N -0.478 115.225 115.700 0.005 0.000 2.605 76 S HA 0.134 4.604 4.470 0.000 0.000 0.217 76 S C -0.100 174.339 174.600 -0.270 0.000 0.958 76 S CA -0.125 58.024 58.200 -0.084 0.000 0.919 76 S CB 0.402 63.581 63.200 -0.035 0.000 0.780 76 S HN -0.692 7.682 8.310 0.107 0.000 0.507 77 T N -3.468 110.789 114.554 -0.496 0.000 3.708 77 T HA -0.390 3.960 4.350 0.000 0.000 0.375 77 T C -0.996 173.080 174.700 -1.039 0.000 0.763 77 T CA 1.028 62.299 62.100 -1.382 0.000 1.915 77 T CB -2.787 65.457 68.868 -1.040 0.000 1.783 77 T HN -0.268 7.585 8.240 -0.307 0.203 0.734 78 T N 2.046 116.297 114.554 -0.505 0.000 2.812 78 T HA 0.520 4.870 4.350 0.000 0.000 0.282 78 T C -1.635 173.029 174.700 -0.061 0.000 0.990 78 T CA -1.351 60.575 62.100 -0.290 0.000 0.960 78 T CB 2.607 71.270 68.868 -0.340 0.000 0.948 78 T HN -0.473 7.585 8.240 -0.299 0.002 0.438 79 A N 5.525 128.361 122.820 0.026 0.000 2.279 79 A HA 0.882 5.202 4.320 0.000 0.000 0.303 79 A C -2.372 175.238 177.584 0.042 0.000 1.108 79 A CA -1.901 50.300 52.037 0.273 0.000 0.830 79 A CB 2.300 21.601 19.000 0.502 0.000 1.106 79 A HN 0.179 8.324 8.150 -0.009 0.000 0.493 80 Y N -3.221 117.247 120.300 0.281 0.000 2.562 80 Y HA 0.488 5.038 4.550 0.000 0.000 0.345 80 Y C -1.785 173.886 175.900 -0.382 0.000 1.045 80 Y CA -1.219 56.901 58.100 0.032 0.000 1.028 80 Y CB 5.330 43.816 38.460 0.043 0.000 1.297 80 Y HN 0.160 8.664 8.280 0.373 0.000 0.463 81 M N 1.619 120.953 119.600 -0.443 0.000 2.149 81 M HA 0.344 4.824 4.480 0.000 0.000 0.273 81 M C -2.743 173.339 176.300 -0.363 0.000 0.972 81 M CA -0.360 54.520 55.300 -0.701 0.000 0.984 81 M CB 3.464 35.175 32.600 -1.482 0.000 1.699 81 M HN 0.315 8.477 8.290 -0.213 0.000 0.462 82 E N 7.390 127.453 120.200 -0.228 0.000 2.174 82 E HA 0.570 4.920 4.350 0.000 0.000 0.282 82 E C -1.845 174.662 176.600 -0.155 0.000 0.992 82 E CA -1.300 55.007 56.400 -0.155 0.000 0.803 82 E CB 2.452 32.089 29.700 -0.104 0.000 1.090 82 E HN 0.125 8.364 8.360 -0.203 0.000 0.396 83 L N 6.723 127.861 121.223 -0.142 0.000 2.316 83 L HA 0.492 4.832 4.340 0.000 0.000 0.280 83 L C -1.544 175.288 176.870 -0.063 0.000 1.006 83 L CA -1.259 53.515 54.840 -0.111 0.000 0.836 83 L CB 0.990 42.958 42.059 -0.151 0.000 1.221 83 L HN 0.915 9.066 8.230 -0.132 0.000 0.418 84 R N 2.354 122.825 120.500 -0.048 0.000 2.758 84 R HA 0.492 4.832 4.340 0.000 0.000 0.265 84 R C -0.228 176.062 176.300 -0.018 0.000 1.016 84 R CA -1.954 54.126 56.100 -0.033 0.000 1.040 84 R CB 1.443 31.718 30.300 -0.041 0.000 1.152 84 R HN -0.186 8.051 8.270 -0.054 0.000 0.503 85 S N -1.837 113.857 115.700 -0.010 0.000 3.628 85 S HA -0.352 4.118 4.470 0.000 0.000 0.373 85 S C 0.265 174.872 174.600 0.012 0.000 0.968 85 S CA 0.586 58.785 58.200 -0.002 0.000 1.215 85 S CB -1.117 62.076 63.200 -0.011 0.000 0.912 85 S HN 0.262 8.565 8.310 -0.012 0.000 0.495 86 L N 0.174 121.410 121.223 0.022 0.000 2.426 86 L HA -0.039 4.301 4.340 0.000 0.000 0.271 86 L C -0.510 176.389 176.870 0.049 0.000 1.169 86 L CA 0.686 55.552 54.840 0.045 0.000 0.836 86 L CB 0.615 42.707 42.059 0.054 0.000 1.112 86 L HN -0.735 7.505 8.230 0.017 0.000 0.465 87 T N -2.300 112.292 114.554 0.063 0.000 2.864 87 T HA 0.382 4.732 4.350 0.000 0.000 0.289 87 T C 0.901 175.649 174.700 0.079 0.000 1.082 87 T CA -1.646 60.489 62.100 0.058 0.000 1.009 87 T CB 2.729 71.623 68.868 0.044 0.000 1.234 87 T HN 0.011 8.557 8.240 0.078 -0.260 0.526 88 S N 0.805 116.547 115.700 0.071 0.000 2.419 88 S HA -0.210 4.260 4.470 0.000 0.000 0.233 88 S C 1.738 176.395 174.600 0.096 0.000 1.016 88 S CA 3.558 61.809 58.200 0.085 0.000 0.974 88 S CB -0.395 62.844 63.200 0.067 0.000 0.786 88 S HN 0.526 8.869 8.310 0.056 0.000 0.492 89 E N 0.361 120.614 120.200 0.087 0.000 2.478 89 E HA -0.133 4.217 4.350 0.000 0.000 0.198 89 E C 0.668 177.349 176.600 0.134 0.000 1.046 89 E CA 1.915 58.374 56.400 0.098 0.000 0.870 89 E CB -0.612 29.132 29.700 0.075 0.000 0.818 89 E HN -0.610 7.760 8.360 0.073 0.034 0.527 90 D N -1.813 118.677 120.400 0.150 0.000 2.363 90 D HA 0.234 4.874 4.640 0.000 0.000 0.214 90 D C -0.584 175.867 176.300 0.252 0.000 1.093 90 D CA 0.030 54.163 54.000 0.220 0.000 0.837 90 D CB 0.713 41.630 40.800 0.196 0.000 0.948 90 D HN -0.045 8.202 8.370 0.129 0.200 0.507 91 S N 1.942 117.747 115.700 0.176 0.000 2.474 91 S HA 0.167 4.637 4.470 0.000 0.000 0.276 91 S C -1.835 172.806 174.600 0.068 0.000 1.227 91 S CA 1.590 59.878 58.200 0.148 0.000 1.050 91 S CB 0.110 63.393 63.200 0.137 0.000 0.939 91 S HN -0.709 7.620 8.310 0.151 0.072 0.490 92 A N 3.377 126.174 122.820 -0.038 0.000 2.457 92 A HA 0.512 4.832 4.320 0.000 0.000 0.305 92 A C -2.653 174.687 177.584 -0.408 0.000 1.110 92 A CA -0.118 51.784 52.037 -0.226 0.000 0.616 92 A CB 1.806 20.619 19.000 -0.311 0.000 1.371 92 A HN -0.315 7.851 8.150 0.026 0.000 0.525 93 V N -2.069 117.557 119.914 -0.479 0.000 2.483 93 V HA 0.647 4.767 4.120 0.000 0.000 0.295 93 V C -1.245 174.435 176.094 -0.690 0.000 1.035 93 V CA -1.308 60.701 62.300 -0.485 0.000 0.896 93 V CB 0.666 32.252 31.823 -0.395 0.000 0.986 93 V HN 0.077 8.033 8.190 -0.390 0.000 0.447 94 Y N 4.402 124.575 120.300 -0.211 0.000 2.328 94 Y HA 0.542 5.092 4.550 0.000 0.000 0.336 94 Y C -0.703 175.131 175.900 -0.110 0.000 0.960 94 Y CA -2.180 55.890 58.100 -0.051 0.000 1.134 94 Y CB 1.604 40.152 38.460 0.146 0.000 1.166 94 Y HN 0.599 8.656 8.280 -0.178 0.116 0.464 95 Y N 2.388 122.880 120.300 0.320 0.000 2.487 95 Y HA 0.522 5.072 4.550 0.000 0.000 0.337 95 Y C -0.865 174.962 175.900 -0.121 0.000 1.076 95 Y CA -1.456 56.756 58.100 0.187 0.000 1.115 95 Y CB 3.354 42.080 38.460 0.443 0.000 1.235 95 Y HN 0.706 9.242 8.280 0.427 0.000 0.468 96 c N -1.255 117.199 118.600 -0.243 0.000 2.456 96 c HA 0.828 5.398 4.570 0.000 0.000 0.325 96 c C -1.267 172.560 174.090 -0.438 0.000 1.217 96 c CA -2.906 52.943 56.329 -0.800 0.000 1.687 96 c CB 2.315 44.078 42.510 -1.246 0.000 2.270 96 c HN 0.261 8.628 8.230 -0.035 -0.158 0.499 97 T N 3.186 117.417 114.554 -0.537 0.000 2.900 97 T HA 0.731 5.081 4.350 0.000 0.000 0.295 97 T C -2.046 172.359 174.700 -0.493 0.000 1.044 97 T CA -0.755 60.938 62.100 -0.679 0.000 0.995 97 T CB 2.778 70.923 68.868 -1.204 0.000 1.072 97 T HN 0.740 8.554 8.240 -0.531 0.108 0.473 98 S N 1.276 116.704 115.700 -0.453 0.000 2.720 98 S HA 0.395 4.865 4.470 0.000 0.000 0.287 98 S C -1.205 173.032 174.600 -0.605 0.000 1.168 98 S CA -2.480 55.519 58.200 -0.335 0.000 0.832 98 S CB 1.632 64.791 63.200 -0.068 0.000 1.166 98 S HN 0.753 8.675 8.310 -0.472 0.105 0.493 99 K N 1.878 121.874 120.400 -0.674 0.000 3.490 99 K HA -0.388 3.932 4.320 0.000 0.000 0.273 99 K C -0.880 175.334 176.600 -0.643 0.000 0.916 99 K CA 1.091 56.774 56.287 -1.007 0.000 0.718 99 K CB -0.976 30.599 32.500 -1.542 0.000 1.477 99 K HN 0.814 8.818 8.250 -0.410 0.000 0.452 100 S N -0.818 114.630 115.700 -0.419 0.000 3.631 100 S HA -0.287 4.183 4.470 0.000 0.000 0.366 100 S C -0.658 173.795 174.600 -0.244 0.000 0.993 100 S CA 1.368 59.386 58.200 -0.304 0.000 1.167 100 S CB -0.905 62.221 63.200 -0.124 0.000 0.909 100 S HN 0.758 8.873 8.310 -0.324 0.000 0.478 101 F N -6.766 112.880 119.950 -0.507 0.000 2.988 101 F HA -0.314 4.213 4.527 0.000 0.000 0.287 101 F C -0.418 175.165 175.800 -0.361 0.000 0.781 101 F CA 0.622 58.284 58.000 -0.562 0.000 1.221 101 F CB -1.913 36.849 39.000 -0.397 0.000 1.392 101 F HN 0.019 7.777 8.300 -0.903 0.000 0.425 102 D N -0.284 119.900 120.400 -0.361 0.000 2.216 102 D HA -0.079 4.561 4.640 0.000 0.000 0.208 102 D C -0.086 176.092 176.300 -0.204 0.000 0.960 102 D CA 1.755 55.556 54.000 -0.332 0.000 0.861 102 D CB 1.240 41.661 40.800 -0.633 0.000 0.985 102 D HN -0.298 7.593 8.370 -0.553 0.148 0.493 103 Y N -1.173 118.992 120.300 -0.225 0.000 2.331 103 Y HA 0.248 4.798 4.550 0.000 0.000 0.338 103 Y C -1.027 174.778 175.900 -0.159 0.000 0.992 103 Y CA -1.801 56.193 58.100 -0.178 0.000 1.121 103 Y CB 0.324 38.570 38.460 -0.357 0.000 1.184 103 Y HN -0.320 7.566 8.280 -0.655 0.000 0.469 104 W N 2.605 123.900 121.300 -0.008 0.000 2.706 104 W HA 0.370 5.030 4.660 0.000 0.000 0.346 104 W C -0.517 175.985 176.519 -0.028 0.000 1.071 104 W CA -1.104 56.203 57.345 -0.064 0.000 1.206 104 W CB 2.899 32.263 29.460 -0.159 0.000 1.413 104 W HN 0.125 8.534 8.180 0.381 0.000 0.542 105 G N -0.772 108.199 108.800 0.286 0.000 2.537 105 G HA2 0.113 4.073 3.960 0.000 0.000 0.273 105 G HA3 0.113 4.073 3.960 0.000 0.000 0.273 105 G C -0.571 174.527 174.900 0.331 0.000 1.189 105 G CA -0.679 44.548 45.100 0.212 0.000 0.881 105 G HN 0.155 8.631 8.290 0.310 0.000 0.535 106 Q N -0.450 119.475 119.800 0.209 0.000 2.291 106 Q HA -0.295 4.045 4.340 0.000 0.000 0.206 106 Q C 0.731 176.877 176.000 0.243 0.000 0.976 106 Q CA 0.253 56.171 55.803 0.192 0.000 0.875 106 Q CB 0.206 28.999 28.738 0.092 0.000 0.927 106 Q HN 0.060 8.412 8.270 0.136 0.000 0.450 107 G N -2.039 106.874 108.800 0.188 0.000 2.784 107 G HA2 -0.240 3.720 3.960 0.000 0.000 0.686 107 G HA3 -0.240 3.720 3.960 0.000 0.000 0.686 107 G C -1.026 173.835 174.900 -0.066 0.000 1.156 107 G CA -0.833 44.185 45.100 -0.136 0.000 0.757 107 G HN -0.674 7.908 8.290 0.204 -0.170 0.642 108 T N 4.250 118.775 114.554 -0.049 0.000 2.815 108 T HA 0.282 4.632 4.350 0.000 0.000 0.289 108 T C -0.432 174.293 174.700 0.042 0.000 1.000 108 T CA -0.460 61.672 62.100 0.053 0.000 0.958 108 T CB 2.172 71.139 68.868 0.164 0.000 0.944 108 T HN -0.024 8.051 8.240 -0.088 0.113 0.442 109 T N 8.631 123.188 114.554 0.005 0.000 2.780 109 T HA 0.543 4.893 4.350 0.000 0.000 0.294 109 T C -1.884 172.849 174.700 0.055 0.000 0.949 109 T CA -0.270 61.824 62.100 -0.010 0.000 1.074 109 T CB 0.114 68.956 68.868 -0.042 0.000 0.910 109 T HN 0.544 8.783 8.240 -0.001 0.000 0.501 110 L N 6.257 127.539 121.223 0.097 0.000 2.362 110 L HA 0.715 5.055 4.340 0.000 0.000 0.275 110 L C -2.141 174.804 176.870 0.126 0.000 0.998 110 L CA -0.953 53.977 54.840 0.150 0.000 0.820 110 L CB 3.933 46.170 42.059 0.296 0.000 1.270 110 L HN 0.417 8.682 8.230 0.057 0.000 0.415 111 T N 8.741 123.366 114.554 0.118 0.000 2.809 111 T HA 0.362 4.712 4.350 0.000 0.000 0.284 111 T C -1.759 173.048 174.700 0.179 0.000 0.992 111 T CA -0.570 61.617 62.100 0.144 0.000 0.957 111 T CB 1.372 70.308 68.868 0.112 0.000 0.942 111 T HN 0.849 9.154 8.240 0.108 0.000 0.439 112 V N 8.437 128.460 119.914 0.180 0.000 2.328 112 V HA 0.610 4.730 4.120 0.000 0.000 0.278 112 V C -1.717 174.476 176.094 0.163 0.000 1.021 112 V CA -1.073 61.321 62.300 0.156 0.000 0.838 112 V CB -0.102 31.797 31.823 0.126 0.000 0.999 112 V HN 0.176 8.472 8.190 0.176 0.000 0.447 113 S N 5.747 121.543 115.700 0.160 0.000 2.565 113 S HA 0.212 4.682 4.470 0.000 0.000 0.274 113 S C -0.388 174.226 174.600 0.025 0.000 1.144 113 S CA -0.918 57.340 58.200 0.095 0.000 0.849 113 S CB 1.219 64.502 63.200 0.138 0.000 1.103 113 S HN 0.449 8.756 8.310 0.161 0.100 0.455 114 S N 3.080 118.748 115.700 -0.053 0.000 2.496 114 S HA 0.035 4.505 4.470 0.000 0.000 0.224 114 S C -0.115 174.392 174.600 -0.156 0.000 0.996 114 S CA 1.517 59.675 58.200 -0.069 0.000 0.927 114 S CB 0.372 63.537 63.200 -0.058 0.000 0.774 114 S HN 0.438 8.712 8.310 -0.061 0.000 0.524 115 A N 2.599 125.210 122.820 -0.348 0.000 2.567 115 A HA -0.211 4.109 4.320 0.000 0.000 0.240 115 A C -0.883 176.445 177.584 -0.427 0.000 1.053 115 A CA 0.678 52.356 52.037 -0.599 0.000 0.755 115 A CB 0.368 18.576 19.000 -1.320 0.000 0.978 115 A HN -0.666 7.226 8.150 -0.349 0.049 0.507 116 K N 2.095 122.373 120.400 -0.203 0.000 2.237 116 K HA -0.008 4.312 4.320 0.000 0.000 0.270 116 K C -0.258 176.427 176.600 0.142 0.000 1.015 116 K CA 0.166 56.447 56.287 -0.009 0.000 0.949 116 K CB 0.517 33.016 32.500 -0.001 0.000 0.976 116 K HN -0.095 8.031 8.250 -0.207 0.000 0.472 117 T N 2.547 117.233 114.554 0.219 0.000 2.855 117 T HA -0.029 4.321 4.350 0.000 0.000 0.314 117 T C -0.863 173.945 174.700 0.180 0.000 1.077 117 T CA 0.856 63.115 62.100 0.265 0.000 1.095 117 T CB 0.567 69.540 68.868 0.174 0.000 0.987 117 T HN 0.085 8.425 8.240 0.167 0.000 0.546 118 T N 1.683 116.345 114.554 0.180 0.000 3.097 118 T HA 0.075 4.425 4.350 0.000 0.000 0.332 118 T C -1.367 173.395 174.700 0.103 0.000 1.269 118 T CA -0.461 61.716 62.100 0.129 0.000 1.076 118 T CB 2.461 71.422 68.868 0.155 0.000 1.209 118 T HN -0.313 8.050 8.240 0.204 0.000 0.474 119 A N 3.851 126.697 122.820 0.042 0.000 2.401 119 A HA 0.404 4.724 4.320 0.000 0.000 0.259 119 A C -1.921 175.677 177.584 0.024 0.000 1.103 119 A CA -2.557 49.477 52.037 -0.005 0.000 0.789 119 A CB -0.308 18.671 19.000 -0.034 0.000 1.035 119 A HN 0.243 8.415 8.150 0.036 0.000 0.491 120 P HA 0.109 4.529 4.420 0.000 0.000 0.276 120 P C -1.714 175.527 177.300 -0.099 0.000 1.252 120 P CA -0.834 62.267 63.100 0.001 0.000 0.802 120 P CB 1.576 33.235 31.700 -0.068 0.000 1.035 121 S N -0.265 115.334 115.700 -0.168 0.000 2.498 121 S HA 0.384 4.854 4.470 0.000 0.000 0.324 121 S C -1.146 173.045 174.600 -0.682 0.000 1.071 121 S CA -0.729 57.251 58.200 -0.366 0.000 1.113 121 S CB 1.154 64.162 63.200 -0.319 0.000 0.976 121 S HN 0.357 8.489 8.310 -0.112 0.111 0.462 122 V N 6.184 125.779 119.914 -0.530 0.000 2.509 122 V HA 0.377 4.497 4.120 0.000 0.000 0.284 122 V C -0.870 174.973 176.094 -0.417 0.000 1.047 122 V CA -0.927 61.118 62.300 -0.424 0.000 0.952 122 V CB 0.316 32.002 31.823 -0.229 0.000 0.988 122 V HN 0.470 8.444 8.190 -0.361 0.000 0.469 123 Y N 4.872 125.174 120.300 0.005 0.000 2.442 123 Y HA 0.442 4.992 4.550 0.000 0.000 0.344 123 Y C -2.553 173.364 175.900 0.028 0.000 0.976 123 Y CA -4.282 53.830 58.100 0.020 0.000 1.040 123 Y CB 2.288 40.767 38.460 0.030 0.000 1.228 123 Y HN 0.688 8.818 8.280 -0.080 0.102 0.451 124 P HA 0.455 4.875 4.420 0.000 0.000 0.280 124 P C -1.494 175.891 177.300 0.141 0.000 1.244 124 P CA -0.321 62.869 63.100 0.151 0.000 0.784 124 P CB 0.581 32.363 31.700 0.136 0.000 0.913 125 L N 5.529 126.830 121.223 0.130 0.000 2.337 125 L HA 0.243 4.583 4.340 0.000 0.000 0.269 125 L C -1.463 175.432 176.870 0.042 0.000 1.018 125 L CA -0.735 54.160 54.840 0.092 0.000 0.876 125 L CB -0.177 41.943 42.059 0.101 0.000 1.236 125 L HN 0.382 8.703 8.230 0.151 0.000 0.436 126 A N 4.571 127.421 122.820 0.050 0.000 2.294 126 A HA 0.549 4.869 4.320 0.000 0.000 0.330 126 A C -1.915 175.698 177.584 0.048 0.000 1.133 126 A CA -2.163 49.899 52.037 0.042 0.000 0.836 126 A CB -0.200 18.893 19.000 0.154 0.000 1.190 126 A HN 0.218 8.410 8.150 0.070 0.000 0.492 127 P HA 0.598 5.018 4.420 0.000 0.000 0.274 127 P C -1.172 176.175 177.300 0.078 0.000 1.260 127 P CA -0.038 63.098 63.100 0.061 0.000 0.793 127 P CB 0.618 32.369 31.700 0.084 0.000 1.048 137 V N 0.645 120.572 119.914 0.021 0.000 2.383 137 V HA 0.267 4.387 4.120 0.000 0.000 0.275 137 V C -1.449 174.581 176.094 -0.108 0.000 1.036 137 V CA -0.730 61.571 62.300 0.002 0.000 0.889 137 V CB 1.797 33.690 31.823 0.117 0.000 0.985 137 V HN 0.511 8.630 8.190 0.031 0.089 0.459 138 T N 9.810 124.294 114.554 -0.116 0.000 2.799 138 T HA 0.695 5.045 4.350 0.000 0.000 0.286 138 T C -1.210 173.360 174.700 -0.217 0.000 0.973 138 T CA 0.243 62.251 62.100 -0.153 0.000 1.035 138 T CB 0.224 69.035 68.868 -0.094 0.000 0.932 138 T HN 0.272 8.468 8.240 -0.073 0.000 0.469 139 L N 3.670 124.723 121.223 -0.284 0.000 2.194 139 L HA 1.073 5.413 4.340 0.000 0.000 0.248 139 L C -2.200 174.583 176.870 -0.145 0.000 1.071 139 L CA -1.584 53.084 54.840 -0.286 0.000 0.901 139 L CB 3.302 45.072 42.059 -0.482 0.000 1.497 139 L HN 0.697 8.744 8.230 -0.306 0.000 0.442 140 G N -3.718 105.104 108.800 0.036 0.000 2.608 140 G HA2 0.541 4.501 3.960 0.000 0.000 0.291 140 G HA3 0.541 4.501 3.960 0.000 0.000 0.291 140 G C -3.366 171.800 174.900 0.445 0.000 1.425 140 G CA 0.330 45.603 45.100 0.289 0.000 0.787 140 G HN -0.353 7.949 8.290 0.020 0.000 0.484 141 c N 0.114 118.970 118.600 0.427 0.000 2.551 141 c HA 0.921 5.491 4.570 0.000 0.000 0.332 141 c C -2.292 171.873 174.090 0.124 0.000 1.139 141 c CA -0.980 55.445 56.329 0.159 0.000 1.328 141 c CB 2.306 44.699 42.510 -0.195 0.000 1.903 141 c HN 0.427 8.937 8.230 0.468 0.000 0.459 142 L N 8.360 129.644 121.223 0.102 0.000 2.325 142 L HA 0.769 5.109 4.340 0.000 0.000 0.281 142 L C -2.689 174.186 176.870 0.008 0.000 1.004 142 L CA -0.781 54.122 54.840 0.105 0.000 0.823 142 L CB 3.644 45.809 42.059 0.177 0.000 1.236 142 L HN 0.623 8.919 8.230 0.111 0.000 0.415 143 V N 7.721 127.638 119.914 0.005 0.000 2.328 143 V HA 0.633 4.753 4.120 0.000 0.000 0.278 143 V C -2.744 173.397 176.094 0.079 0.000 1.021 143 V CA -2.711 59.553 62.300 -0.060 0.000 0.838 143 V CB 1.346 33.085 31.823 -0.141 0.000 0.999 143 V HN 1.073 9.299 8.190 0.061 0.000 0.447 144 K N 9.890 130.290 120.400 0.000 0.000 2.235 144 K HA 0.575 4.895 4.320 0.000 0.000 0.266 144 K C -0.565 176.117 176.600 0.136 0.000 0.980 144 K CA -1.963 54.382 56.287 0.097 0.000 0.849 144 K CB 2.471 35.028 32.500 0.095 0.000 1.098 144 K HN 0.992 9.021 8.250 -0.183 0.112 0.445 145 G N 6.926 115.836 108.800 0.183 0.000 2.531 145 G HA2 -0.383 3.577 3.960 0.000 0.000 0.283 145 G HA3 -0.383 3.577 3.960 0.000 0.000 0.283 145 G C -1.499 173.544 174.900 0.238 0.000 1.068 145 G CA 0.582 45.775 45.100 0.155 0.000 1.273 145 G HN -0.092 8.300 8.290 0.170 0.000 0.532 146 Y N -3.580 116.799 120.300 0.131 0.000 2.512 146 Y HA 0.488 5.038 4.550 0.000 0.000 0.348 146 Y C -1.557 174.501 175.900 0.265 0.000 0.990 146 Y CA -4.017 54.158 58.100 0.125 0.000 1.033 146 Y CB 1.340 39.817 38.460 0.028 0.000 1.259 146 Y HN -0.498 7.745 8.280 -0.062 0.000 0.461 147 F N 2.388 122.447 119.950 0.182 0.000 2.243 147 F HA 0.410 4.937 4.527 0.000 0.000 0.287 147 F C -2.216 173.718 175.800 0.224 0.000 1.067 147 F CA -0.705 57.411 58.000 0.194 0.000 1.304 147 F CB -0.863 38.215 39.000 0.129 0.000 1.087 147 F HN -0.223 8.360 8.300 0.348 -0.074 0.513 148 P HA 0.019 4.439 4.420 0.000 0.000 0.271 148 P C -0.886 176.156 177.300 -0.430 0.000 1.220 148 P CA -0.119 62.669 63.100 -0.520 0.000 0.768 148 P CB 0.380 32.005 31.700 -0.124 0.000 0.848 149 E N 4.049 123.805 120.200 -0.739 0.000 2.187 149 E HA -0.270 4.080 4.350 0.000 0.000 0.199 149 E C -1.220 175.222 176.600 -0.263 0.000 1.004 149 E CA 2.193 58.081 56.400 -0.853 0.000 0.813 149 E CB -0.966 28.282 29.700 -0.754 0.000 0.736 149 E HN 0.406 8.341 8.360 -0.708 0.000 0.468 150 P HA -0.033 4.387 4.420 0.000 0.000 0.276 150 P C -2.134 175.140 177.300 -0.043 0.000 1.243 150 P CA -0.199 62.862 63.100 -0.065 0.000 0.768 150 P CB 0.288 31.946 31.700 -0.069 0.000 0.856 151 V N 2.373 122.227 119.914 -0.099 0.000 3.048 151 V HA 0.294 4.414 4.120 0.000 0.000 0.303 151 V C -1.278 174.727 176.094 -0.149 0.000 1.214 151 V CA -1.162 61.013 62.300 -0.208 0.000 0.984 151 V CB 4.194 35.699 31.823 -0.531 0.000 1.054 151 V HN 0.057 8.200 8.190 -0.078 0.000 0.430 152 T N 9.024 123.488 114.554 -0.150 0.000 2.812 152 T HA 0.427 4.777 4.350 0.000 0.000 0.282 152 T C -2.269 172.338 174.700 -0.155 0.000 0.990 152 T CA -0.704 61.324 62.100 -0.120 0.000 0.960 152 T CB 1.374 70.188 68.868 -0.090 0.000 0.948 152 T HN -0.008 8.132 8.240 -0.166 0.000 0.438 153 L N 6.555 127.689 121.223 -0.148 0.000 2.349 153 L HA 0.682 5.022 4.340 0.000 0.000 0.278 153 L C -1.029 175.719 176.870 -0.204 0.000 0.996 153 L CA -1.007 53.700 54.840 -0.221 0.000 0.825 153 L CB 2.099 44.039 42.059 -0.199 0.000 1.243 153 L HN 0.297 8.462 8.230 -0.108 0.000 0.412 154 T N 0.364 114.750 114.554 -0.281 0.000 2.887 154 T HA 0.477 4.827 4.350 0.000 0.000 0.292 154 T C -2.428 172.089 174.700 -0.305 0.000 1.087 154 T CA -2.206 59.800 62.100 -0.156 0.000 1.009 154 T CB 2.748 71.580 68.868 -0.060 0.000 1.203 154 T HN 0.257 8.294 8.240 -0.337 0.000 0.518 155 W N 1.213 122.500 121.300 -0.022 0.000 2.393 155 W HA 0.396 5.056 4.660 0.000 0.000 0.315 155 W C 0.039 176.553 176.519 -0.009 0.000 1.009 155 W CA -0.945 56.390 57.345 -0.016 0.000 1.313 155 W CB 1.244 30.692 29.460 -0.020 0.000 1.269 155 W HN -0.070 8.272 8.180 0.271 0.000 0.420 156 N N 2.953 121.747 118.700 0.157 0.000 3.348 156 N HA -0.608 4.132 4.740 0.000 0.000 0.192 156 N C 0.317 175.871 175.510 0.074 0.000 0.298 156 N CA 2.695 55.808 53.050 0.105 0.000 2.113 156 N CB -1.193 37.369 38.487 0.124 0.000 1.347 156 N HN 0.009 8.521 8.380 0.097 -0.074 0.389 163 G N 4.053 112.788 108.800 -0.108 0.000 3.562 163 G HA2 0.164 4.124 3.960 0.000 0.000 0.279 163 G HA3 0.164 4.124 3.960 0.000 0.000 0.279 163 G C -1.252 173.590 174.900 -0.097 0.000 1.314 163 G CA -0.187 44.865 45.100 -0.080 0.000 1.189 163 G HN 0.538 8.756 8.290 -0.120 0.000 0.562 164 V N 0.558 120.371 119.914 -0.169 0.000 2.775 164 V HA 0.007 4.127 4.120 0.000 0.000 0.299 164 V C -0.368 175.613 176.094 -0.188 0.000 1.062 164 V CA 0.408 62.605 62.300 -0.172 0.000 1.063 164 V CB 0.404 32.166 31.823 -0.102 0.000 0.994 164 V HN -0.883 7.110 8.190 -0.161 0.100 0.483 165 H N 5.552 124.548 119.070 -0.123 0.000 3.108 165 H HA 0.287 4.843 4.556 0.000 0.000 0.301 165 H C -1.190 173.922 175.328 -0.360 0.000 1.139 165 H CA -0.795 55.081 56.048 -0.286 0.000 1.552 165 H CB 2.658 32.249 29.762 -0.284 0.000 1.663 165 H HN 0.762 9.087 8.280 0.075 0.000 0.517 166 T N 4.958 119.381 114.554 -0.218 0.000 2.845 166 T HA 0.358 4.708 4.350 0.000 0.000 0.288 166 T C -0.928 173.585 174.700 -0.311 0.000 0.980 166 T CA 0.362 62.405 62.100 -0.096 0.000 1.071 166 T CB 0.401 69.269 68.868 0.001 0.000 0.941 166 T HN 0.245 8.353 8.240 -0.220 0.000 0.487 167 F N 5.012 125.036 119.950 0.124 0.000 2.458 167 F HA 0.360 4.887 4.527 0.000 0.000 0.330 167 F C -1.449 174.408 175.800 0.095 0.000 1.082 167 F CA -2.686 55.377 58.000 0.106 0.000 0.995 167 F CB 0.705 39.766 39.000 0.102 0.000 1.170 167 F HN 0.110 8.599 8.300 0.316 0.000 0.478 168 P HA -0.083 4.337 4.420 0.000 0.000 0.266 168 P C -1.128 176.293 177.300 0.203 0.000 1.195 168 P CA -0.299 62.905 63.100 0.173 0.000 0.768 168 P CB 0.235 32.023 31.700 0.145 0.000 0.838 169 A N 1.931 124.868 122.820 0.194 0.000 2.407 169 A HA 0.171 4.491 4.320 0.000 0.000 0.248 169 A C -0.617 177.103 177.584 0.227 0.000 1.082 169 A CA 0.003 52.185 52.037 0.242 0.000 0.785 169 A CB 0.701 19.871 19.000 0.283 0.000 1.020 169 A HN 0.155 8.403 8.150 0.162 0.000 0.489 170 V N 0.863 120.887 119.914 0.183 0.000 2.531 170 V HA 0.383 4.503 4.120 0.000 0.000 0.301 170 V C -2.054 174.031 176.094 -0.015 0.000 1.034 170 V CA -1.168 61.186 62.300 0.090 0.000 0.865 170 V CB 3.070 34.929 31.823 0.060 0.000 0.995 170 V HN 0.046 8.344 8.190 0.180 0.000 0.424 171 L N 5.533 126.658 121.223 -0.165 0.000 2.326 171 L HA 0.447 4.787 4.340 0.000 0.000 0.278 171 L C -0.769 175.974 176.870 -0.212 0.000 1.092 171 L CA 0.393 54.980 54.840 -0.422 0.000 0.810 171 L CB 1.376 43.030 42.059 -0.676 0.000 1.153 171 L HN -0.134 8.038 8.230 -0.096 0.000 0.439 172 Q N 5.809 125.498 119.800 -0.186 0.000 2.345 172 Q HA 0.117 4.457 4.340 0.000 0.000 0.176 172 Q C 0.079 176.021 176.000 -0.096 0.000 0.723 172 Q CA -0.700 55.042 55.803 -0.103 0.000 0.743 172 Q CB 2.072 30.774 28.738 -0.061 0.000 1.260 172 Q HN 0.435 8.567 8.270 -0.230 0.000 0.535 173 S N 1.432 117.085 115.700 -0.078 0.000 2.891 173 S HA 0.056 4.526 4.470 0.000 0.000 0.186 173 S C -1.220 173.331 174.600 -0.081 0.000 1.401 173 S CA -0.443 57.716 58.200 -0.069 0.000 1.035 173 S CB -0.625 62.548 63.200 -0.045 0.000 1.293 173 S HN -0.006 8.265 8.310 -0.065 0.000 0.493 174 D N -0.562 119.773 120.400 -0.108 0.000 2.837 174 D HA -0.331 4.309 4.640 0.000 0.000 0.230 174 D C -1.547 174.758 176.300 0.009 0.000 1.152 174 D CA 1.586 55.518 54.000 -0.114 0.000 0.736 174 D CB -0.511 40.161 40.800 -0.213 0.000 1.084 174 D HN 0.031 8.285 8.370 -0.119 0.045 0.429 175 L N -3.673 117.522 121.223 -0.047 0.000 2.464 175 L HA 0.342 4.682 4.340 0.000 0.000 0.266 175 L C -1.824 174.928 176.870 -0.197 0.000 0.965 175 L CA -0.744 54.088 54.840 -0.013 0.000 0.833 175 L CB 3.363 45.424 42.059 0.004 0.000 1.296 175 L HN -0.844 7.278 8.230 -0.137 0.025 0.405 176 Y N 1.886 121.955 120.300 -0.385 0.000 2.335 176 Y HA 0.408 4.958 4.550 0.000 0.000 0.323 176 Y C -0.376 175.274 175.900 -0.416 0.000 1.224 176 Y CA -0.537 57.234 58.100 -0.549 0.000 1.241 176 Y CB 2.187 40.030 38.460 -1.028 0.000 1.235 176 Y HN 0.932 9.003 8.280 -0.158 0.114 0.492 177 T N 2.832 117.418 114.554 0.053 0.000 2.928 177 T HA 0.588 4.938 4.350 0.000 0.000 0.296 177 T C -2.268 172.583 174.700 0.251 0.000 1.000 177 T CA -0.165 62.045 62.100 0.184 0.000 0.989 177 T CB 1.701 70.633 68.868 0.108 0.000 1.005 177 T HN 0.335 8.625 8.240 0.085 0.000 0.442 178 L N 5.223 126.636 121.223 0.316 0.000 2.401 178 L HA 0.646 4.986 4.340 0.000 0.000 0.266 178 L C -2.959 174.032 176.870 0.201 0.000 0.991 178 L CA -1.326 53.671 54.840 0.261 0.000 0.818 178 L CB 3.852 46.075 42.059 0.273 0.000 1.321 178 L HN 0.524 8.967 8.230 0.355 0.000 0.413 179 S N 2.427 118.271 115.700 0.240 0.000 2.671 179 S HA 0.767 5.237 4.470 0.000 0.000 0.299 179 S C -1.973 172.857 174.600 0.382 0.000 1.116 179 S CA -1.767 56.586 58.200 0.255 0.000 0.912 179 S CB 2.830 66.148 63.200 0.197 0.000 1.130 179 S HN 0.150 8.637 8.310 0.295 0.000 0.501 180 S N -0.450 115.498 115.700 0.412 0.000 2.592 180 S HA 0.482 4.952 4.470 0.000 0.000 0.275 180 S C -2.402 172.559 174.600 0.601 0.000 1.169 180 S CA -0.650 57.866 58.200 0.526 0.000 0.958 180 S CB 1.222 64.713 63.200 0.486 0.000 1.095 180 S HN 0.298 8.820 8.310 0.354 0.000 0.471 181 S N 6.021 121.981 115.700 0.433 0.000 2.503 181 S HA 0.789 5.259 4.470 0.000 0.000 0.301 181 S C -2.463 172.059 174.600 -0.130 0.000 1.087 181 S CA -1.873 56.425 58.200 0.164 0.000 1.042 181 S CB 2.439 65.756 63.200 0.194 0.000 1.043 181 S HN 0.423 8.893 8.310 0.436 0.101 0.489 182 V N 1.639 121.260 119.914 -0.489 0.000 2.638 182 V HA 0.561 4.681 4.120 0.000 0.000 0.306 182 V C -2.185 173.674 176.094 -0.392 0.000 1.052 182 V CA -1.639 60.287 62.300 -0.623 0.000 0.885 182 V CB 4.090 35.133 31.823 -1.301 0.000 0.999 182 V HN 0.016 7.919 8.190 -0.480 0.000 0.424 183 T N 10.373 124.787 114.554 -0.234 0.000 2.770 183 T HA 0.585 4.935 4.350 0.000 0.000 0.297 183 T C -1.917 172.697 174.700 -0.144 0.000 0.997 183 T CA -0.301 61.702 62.100 -0.161 0.000 0.949 183 T CB 0.062 68.882 68.868 -0.080 0.000 0.941 183 T HN -0.080 7.917 8.240 -0.188 0.130 0.457 184 V N 6.920 126.749 119.914 -0.141 0.000 3.103 184 V HA 0.659 4.779 4.120 0.000 0.000 0.318 184 V C -1.855 174.229 176.094 -0.016 0.000 1.114 184 V CA -2.530 59.722 62.300 -0.079 0.000 1.020 184 V CB 4.007 35.778 31.823 -0.086 0.000 1.085 184 V HN 0.828 8.917 8.190 -0.169 0.000 0.446 185 T N 1.953 116.519 114.554 0.021 0.000 2.882 185 T HA 0.344 4.694 4.350 0.000 0.000 0.287 185 T C 1.102 175.860 174.700 0.096 0.000 1.014 185 T CA -0.374 61.753 62.100 0.045 0.000 1.049 185 T CB 0.905 69.793 68.868 0.032 0.000 1.001 185 T HN 0.400 8.651 8.240 0.019 0.000 0.525 186 S N 4.253 120.009 115.700 0.093 0.000 2.402 186 S HA -0.171 4.299 4.470 0.000 0.000 0.229 186 S C 0.598 175.251 174.600 0.089 0.000 1.021 186 S CA 2.632 60.904 58.200 0.119 0.000 0.974 186 S CB 0.053 63.303 63.200 0.084 0.000 0.800 186 S HN 0.435 8.785 8.310 0.067 0.000 0.484 187 S N -2.314 113.422 115.700 0.061 0.000 2.720 187 S HA 0.039 4.509 4.470 0.000 0.000 0.222 187 S C 0.671 175.298 174.600 0.045 0.000 0.958 187 S CA 1.161 59.384 58.200 0.038 0.000 0.943 187 S CB -0.123 63.093 63.200 0.027 0.000 0.779 187 S HN 0.084 8.428 8.310 0.056 0.000 0.526 188 T N -1.556 113.048 114.554 0.083 0.000 3.098 188 T HA 0.187 4.537 4.350 0.000 0.000 0.246 188 T C -1.453 173.331 174.700 0.140 0.000 0.983 188 T CA 0.127 62.285 62.100 0.098 0.000 1.094 188 T CB 0.624 69.557 68.868 0.108 0.000 1.035 188 T HN -0.532 7.676 8.240 0.115 0.101 0.456 189 W N 3.890 125.192 121.300 0.003 0.000 2.365 189 W HA 0.385 5.045 4.660 0.000 0.000 0.316 189 W C -2.000 174.525 176.519 0.009 0.000 1.164 189 W CA -2.128 55.223 57.345 0.009 0.000 1.204 189 W CB 0.797 30.261 29.460 0.006 0.000 1.213 189 W HN -0.708 7.658 8.180 0.310 0.000 0.539 190 P HA 0.077 4.497 4.420 0.000 0.000 0.255 190 P C -0.659 176.470 177.300 -0.286 0.000 1.248 190 P CA 0.726 63.289 63.100 -0.894 0.000 0.807 190 P CB 0.712 31.856 31.700 -0.927 0.000 1.150 191 S N -1.206 114.395 115.700 -0.165 0.000 2.387 191 S HA -0.261 4.209 4.470 0.000 0.000 0.230 191 S C 0.013 174.608 174.600 -0.008 0.000 1.035 191 S CA 3.204 61.363 58.200 -0.068 0.000 1.014 191 S CB 0.075 63.250 63.200 -0.042 0.000 0.836 191 S HN 0.109 8.255 8.310 -0.178 0.058 0.466 192 Q N -0.364 119.460 119.800 0.041 0.000 2.333 192 Q HA 0.137 4.477 4.340 0.000 0.000 0.267 192 Q C -1.673 174.435 176.000 0.179 0.000 1.012 192 Q CA -1.373 54.485 55.803 0.092 0.000 0.824 192 Q CB 2.358 31.152 28.738 0.093 0.000 1.290 192 Q HN -0.290 7.883 8.270 0.041 0.122 0.449 193 S N 2.352 118.152 115.700 0.166 0.000 2.576 193 S HA 0.039 4.509 4.470 0.000 0.000 0.276 193 S C -0.224 174.520 174.600 0.240 0.000 1.339 193 S CA -0.234 58.105 58.200 0.231 0.000 1.039 193 S CB 0.756 64.052 63.200 0.159 0.000 0.902 193 S HN 0.207 8.587 8.310 0.118 0.000 0.516 194 I N 2.866 123.601 120.570 0.276 0.000 2.411 194 I HA 0.072 4.242 4.170 0.000 0.000 0.284 194 I C -1.259 175.010 176.117 0.255 0.000 1.012 194 I CA -0.963 60.466 61.300 0.214 0.000 1.119 194 I CB 0.176 38.216 38.000 0.066 0.000 1.261 194 I HN 0.325 8.739 8.210 0.340 0.000 0.448 195 T N 8.218 122.919 114.554 0.244 0.000 2.918 195 T HA 0.429 4.779 4.350 0.000 0.000 0.286 195 T C -1.458 173.301 174.700 0.098 0.000 1.026 195 T CA -1.416 60.779 62.100 0.159 0.000 1.031 195 T CB 2.729 71.648 68.868 0.085 0.000 1.046 195 T HN 0.239 8.976 8.240 0.233 -0.357 0.479 196 c N 1.182 119.690 118.600 -0.153 0.000 2.319 196 c HA 0.610 5.180 4.570 0.000 0.000 0.323 196 c C -1.000 172.868 174.090 -0.371 0.000 1.277 196 c CA -3.703 52.276 56.329 -0.585 0.000 1.517 196 c CB 1.282 43.081 42.510 -1.185 0.000 2.206 196 c HN 0.365 8.534 8.230 -0.101 0.000 0.486 197 N N 4.277 122.774 118.700 -0.340 0.000 2.438 197 N HA 0.473 5.213 4.740 0.000 0.000 0.282 197 N C -1.548 173.812 175.510 -0.250 0.000 1.037 197 N CA 0.157 53.074 53.050 -0.221 0.000 0.942 197 N CB 1.657 40.056 38.487 -0.147 0.000 1.136 197 N HN 0.566 8.593 8.380 -0.398 0.114 0.481 198 V N 2.973 122.763 119.914 -0.207 0.000 2.680 198 V HA 0.765 4.885 4.120 0.000 0.000 0.309 198 V C -1.834 174.160 176.094 -0.166 0.000 1.052 198 V CA -1.408 60.764 62.300 -0.213 0.000 0.908 198 V CB 3.282 34.963 31.823 -0.237 0.000 1.001 198 V HN 0.774 8.752 8.190 -0.175 0.107 0.431 199 A N 3.994 126.718 122.820 -0.160 0.000 2.475 199 A HA 0.919 5.239 4.320 0.000 0.000 0.301 199 A C -1.427 176.110 177.584 -0.077 0.000 1.059 199 A CA -1.491 50.485 52.037 -0.102 0.000 0.710 199 A CB 2.931 21.894 19.000 -0.061 0.000 1.288 199 A HN 0.078 8.118 8.150 -0.185 0.000 0.408 200 H N 2.115 121.110 119.070 -0.125 0.000 1.488 200 H HA -0.420 4.136 4.556 -0.000 0.000 0.090 200 H C -2.025 173.251 175.328 -0.085 0.000 0.628 200 H CA 4.625 60.613 56.048 -0.099 0.000 1.897 200 H CB -2.382 27.331 29.762 -0.083 0.000 2.251 200 H HN 0.835 9.093 8.280 -0.037 0.000 0.960 201 P HA -0.362 4.058 4.420 0.000 0.000 0.256 201 P C -1.491 175.529 177.300 -0.467 0.000 0.710 201 P CA 2.651 65.615 63.100 -0.227 0.000 1.081 201 P CB -0.334 31.295 31.700 -0.119 0.000 0.727 202 A N -2.921 119.636 122.820 -0.438 0.000 3.248 202 A HA 0.282 4.602 4.320 0.000 0.000 0.315 202 A C -1.020 176.378 177.584 -0.309 0.000 0.974 202 A CA -1.314 50.545 52.037 -0.296 0.000 0.939 202 A CB -0.235 18.705 19.000 -0.100 0.000 1.061 202 A HN -0.011 7.915 8.150 -0.347 0.015 0.481 203 S N -1.213 114.175 115.700 -0.521 0.000 3.350 203 S HA -0.494 3.976 4.470 0.000 0.000 0.341 203 S C -0.583 173.949 174.600 -0.113 0.000 1.176 203 S CA 1.126 59.231 58.200 -0.157 0.000 0.972 203 S CB -1.002 62.193 63.200 -0.009 0.000 0.953 203 S HN -0.038 7.580 8.310 -1.154 0.000 0.565 204 S N 0.975 116.570 115.700 -0.176 0.000 2.525 204 S HA 0.195 4.665 4.470 0.000 0.000 0.278 204 S C -1.233 173.307 174.600 -0.101 0.000 1.234 204 S CA 0.061 58.191 58.200 -0.117 0.000 1.058 204 S CB 1.396 64.520 63.200 -0.126 0.000 0.983 204 S HN -0.128 7.875 8.310 -0.283 0.137 0.495 205 T N 4.818 119.327 114.554 -0.076 0.000 2.890 205 T HA 0.285 4.635 4.350 0.000 0.000 0.295 205 T C -1.170 173.485 174.700 -0.075 0.000 0.993 205 T CA -0.227 61.830 62.100 -0.072 0.000 0.979 205 T CB 1.073 69.913 68.868 -0.046 0.000 0.967 205 T HN 0.223 8.424 8.240 -0.064 0.000 0.441 206 K N 6.841 127.183 120.400 -0.095 0.000 2.443 206 K HA 0.504 4.824 4.320 0.000 0.000 0.252 206 K C -1.777 174.764 176.600 -0.098 0.000 0.933 206 K CA -1.008 55.225 56.287 -0.089 0.000 0.792 206 K CB 3.963 36.402 32.500 -0.101 0.000 1.185 206 K HN 0.770 8.839 8.250 -0.115 0.112 0.425 207 V N -1.939 117.934 119.914 -0.069 0.000 2.547 207 V HA 0.555 4.675 4.120 0.000 0.000 0.299 207 V C -1.251 174.817 176.094 -0.043 0.000 1.040 207 V CA -2.566 59.696 62.300 -0.063 0.000 0.913 207 V CB 1.262 33.065 31.823 -0.034 0.000 0.992 207 V HN 0.259 8.418 8.190 -0.051 0.000 0.449 208 D N 5.665 126.042 120.400 -0.039 0.000 2.838 208 D HA 0.030 4.670 4.640 0.000 0.000 0.245 208 D C -0.837 175.492 176.300 0.048 0.000 1.424 208 D CA -0.053 53.947 54.000 -0.000 0.000 1.214 208 D CB 1.276 42.068 40.800 -0.013 0.000 0.937 208 D HN 0.242 8.575 8.370 -0.061 0.000 0.232 209 K N 0.000 120.451 120.400 0.084 0.000 2.780 209 K HA 0.000 4.320 4.320 0.000 0.000 0.191 209 K CA 0.000 56.363 56.287 0.127 0.000 0.838 209 K CB 0.000 32.609 32.500 0.181 0.000 1.064 209 K HN 0.000 8.301 8.250 0.084 0.000 0.543