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 1o3k_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQR DATA SEQUENCE LXXGEDNINV VEGNEQFISA SKSIVHPSYN SNTLNNDIML IKLKSAASLN DATA SEQUENCE SRVASISLPT XScASXAGTQ cLISGWGNTK SSGTSYPDVL KcLKAPILSD DATA SEQUENCE SScKSAYPGQ ITSNMFcAYL EGKDScQGDS GGPVVcSGKX XXXLQGIVSW DATA SEQUENCE GSXGcQKNKP GVYTKVcNYV SWIKQTIASN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 16 I HA 0.000 4.181 4.170 0.019 0.000 0.288 16 I C 0.000 176.105 176.117 -0.019 0.000 1.063 16 I CA 0.000 61.292 61.300 -0.013 0.000 1.566 16 I CB 0.000 37.958 38.000 -0.070 0.000 1.214 17 V N 5.612 125.526 119.914 0.001 0.000 2.435 17 V HA 0.269 4.516 4.120 -0.018 -0.137 0.290 17 V C 0.609 176.704 176.094 0.002 0.000 1.030 17 V CA -1.604 60.694 62.300 -0.003 0.000 0.881 17 V CB 1.273 33.100 31.823 0.007 0.000 0.983 17 V HN 0.781 8.985 8.190 0.023 0.000 0.445 18 G N 6.754 115.550 108.800 -0.007 0.000 2.160 18 G HA2 -0.395 3.559 3.960 -0.010 0.000 0.251 18 G HA3 -0.395 3.717 3.960 -0.025 -0.167 0.251 18 G C -0.645 174.263 174.900 0.014 0.000 1.008 18 G CA 0.531 45.626 45.100 -0.009 0.000 0.724 18 G HN 0.779 9.063 8.290 -0.011 0.000 0.514 19 G N -1.040 107.767 108.800 0.011 0.000 2.606 19 G HA2 0.483 4.484 3.960 0.098 0.000 0.262 19 G HA3 0.483 4.483 3.960 -0.086 -0.092 0.262 19 G C -1.682 173.265 174.900 0.078 0.000 1.394 19 G CA -1.018 44.092 45.100 0.016 0.000 1.044 19 G HN -0.666 7.581 8.290 -0.010 0.036 0.553 20 Y N -6.125 114.155 120.300 -0.033 0.000 2.638 20 Y HA 0.392 4.925 4.550 -0.029 0.000 0.339 20 Y C -1.773 174.100 175.900 -0.044 0.000 1.084 20 Y CA -2.897 55.183 58.100 -0.033 0.000 1.068 20 Y CB 1.026 39.470 38.460 -0.028 0.000 1.294 20 Y HN 0.295 8.233 8.280 -0.570 0.000 0.480 21 T N 2.325 116.933 114.554 0.091 0.000 2.799 21 T HA 0.093 4.509 4.350 -0.098 -0.125 0.296 21 T C 0.206 174.920 174.700 0.023 0.000 0.947 21 T CA 1.023 63.121 62.100 -0.003 0.000 1.141 21 T CB -0.071 68.823 68.868 0.043 0.000 0.891 21 T HN 0.004 8.356 8.240 0.186 0.000 0.533 22 c N 6.354 124.874 118.600 -0.132 0.000 2.432 22 c HA -0.109 4.447 4.570 -0.023 0.000 0.277 22 c C 0.124 174.231 174.090 0.029 0.000 1.249 22 c CA 0.927 57.211 56.329 -0.077 0.000 1.725 22 c CB 0.266 42.664 42.510 -0.187 0.000 2.028 22 c HN 0.135 8.239 8.230 -0.210 0.000 0.477 23 G N -2.282 106.519 108.800 0.002 0.000 2.841 23 G HA2 -0.163 3.813 3.960 0.026 0.000 0.684 23 G HA3 -0.163 3.816 3.960 0.031 0.000 0.684 23 G C -1.941 172.959 174.900 0.001 0.000 1.273 23 G CA -0.842 44.269 45.100 0.019 0.000 0.811 23 G HN -0.370 7.903 8.290 -0.029 0.000 0.631 24 A N 3.919 126.747 122.820 0.014 0.000 2.566 24 A HA -0.237 4.339 4.320 0.027 -0.240 0.245 24 A C -0.162 177.427 177.584 0.008 0.000 1.056 24 A CA 1.123 53.172 52.037 0.020 0.000 0.757 24 A CB 0.051 19.069 19.000 0.029 0.000 0.979 24 A HN 0.330 8.493 8.150 0.021 0.000 0.508 25 N N -2.602 116.101 118.700 0.004 0.000 2.714 25 N HA -0.382 4.349 4.740 -0.016 0.000 0.250 25 N C 0.417 175.907 175.510 -0.033 0.000 1.117 25 N CA 1.668 54.712 53.050 -0.011 0.000 0.719 25 N CB -1.004 37.488 38.487 0.008 0.000 1.081 25 N HN 0.562 8.952 8.380 0.017 0.000 0.557 26 T N -3.519 111.007 114.554 -0.047 0.000 3.100 26 T HA 0.009 4.350 4.350 -0.015 0.000 0.253 26 T C -0.037 174.608 174.700 -0.091 0.000 1.118 26 T CA 2.051 64.128 62.100 -0.038 0.000 1.058 26 T CB 0.461 69.321 68.868 -0.013 0.000 0.953 26 T HN -0.494 7.682 8.240 -0.050 0.034 0.515 27 V N 2.305 122.103 119.914 -0.192 0.000 2.320 27 V HA 0.376 4.241 4.120 -0.425 0.000 0.257 27 V C -1.518 174.264 176.094 -0.520 0.000 0.996 27 V CA -3.396 58.634 62.300 -0.450 0.000 0.928 27 V CB 0.597 32.134 31.823 -0.477 0.000 1.169 27 V HN -0.531 7.494 8.190 -0.163 0.067 0.475 28 P HA 0.038 4.511 4.420 -0.086 -0.104 0.226 28 P C 0.171 177.424 177.300 -0.078 0.000 1.153 28 P CA 1.642 64.670 63.100 -0.119 0.000 0.777 28 P CB 0.102 31.806 31.700 0.007 0.000 0.794 29 Y N -6.105 114.221 120.300 0.043 0.000 2.466 29 Y HA 0.479 5.201 4.550 0.058 -0.137 0.272 29 Y C -0.574 175.363 175.900 0.063 0.000 1.169 29 Y CA -3.184 54.947 58.100 0.052 0.000 1.285 29 Y CB -1.274 37.212 38.460 0.044 0.000 1.078 29 Y HN -0.418 7.265 8.280 -0.907 0.053 0.523 30 Q N 2.815 122.481 119.800 -0.224 0.000 2.313 30 Q HA 0.191 4.718 4.340 0.088 -0.134 0.266 30 Q C -0.326 175.757 176.000 0.138 0.000 0.989 30 Q CA 0.123 55.906 55.803 -0.034 0.000 0.890 30 Q CB 1.043 29.656 28.738 -0.209 0.000 1.200 30 Q HN -0.632 7.268 8.270 -0.517 0.060 0.396 31 V N 1.599 121.633 119.914 0.200 0.000 3.074 31 V HA 0.819 5.165 4.120 0.190 -0.112 0.314 31 V C -2.029 174.213 176.094 0.247 0.000 1.117 31 V CA -2.934 59.478 62.300 0.186 0.000 1.014 31 V CB 3.898 35.779 31.823 0.096 0.000 1.057 31 V HN 0.223 8.527 8.190 0.191 0.000 0.438 32 S N 0.516 116.261 115.700 0.075 0.000 2.473 32 S HA 0.438 5.134 4.470 0.191 -0.111 0.307 32 S C -1.031 173.436 174.600 -0.222 0.000 1.094 32 S CA -1.943 56.237 58.200 -0.033 0.000 1.070 32 S CB 1.823 64.785 63.200 -0.396 0.000 1.019 32 S HN 0.057 8.368 8.310 0.002 0.000 0.480 33 L N 7.010 127.965 121.223 -0.448 0.000 2.275 33 L HA 0.514 4.739 4.340 -0.398 -0.124 0.288 33 L C -1.529 174.840 176.870 -0.834 0.000 1.046 33 L CA -0.788 53.651 54.840 -0.669 0.000 0.805 33 L CB 0.809 42.268 42.059 -0.999 0.000 1.193 33 L HN 0.752 8.679 8.230 -0.505 0.000 0.426 38 G N 0.085 108.786 108.800 -0.165 0.000 2.176 38 G HA2 -0.301 3.644 3.960 -0.024 0.000 0.232 38 G HA3 -0.301 3.714 3.960 0.092 0.000 0.232 38 G C -1.525 173.452 174.900 0.129 0.000 0.986 38 G CA 0.407 45.513 45.100 0.009 0.000 0.643 38 G HN 0.221 8.740 8.290 -0.199 -0.348 0.522 39 Y N -7.428 112.847 120.300 -0.042 0.000 2.732 39 Y HA 0.200 4.710 4.550 -0.066 0.000 0.342 39 Y C -2.505 173.388 175.900 -0.011 0.000 1.203 39 Y CA -3.504 54.571 58.100 -0.042 0.000 1.092 39 Y CB 0.674 39.108 38.460 -0.043 0.000 1.345 39 Y HN -1.177 6.892 8.280 -0.389 -0.022 0.458 40 H N 2.298 121.314 119.070 -0.089 0.000 2.767 40 H HA -0.005 4.494 4.556 -0.360 -0.159 0.316 40 H C -0.736 174.574 175.328 -0.029 0.000 1.059 40 H CA 0.270 56.192 56.048 -0.210 0.000 1.461 40 H CB 0.390 30.015 29.762 -0.229 0.000 1.475 40 H HN 0.210 8.585 8.280 0.159 0.000 0.531 41 F N 1.179 120.711 119.950 -0.695 0.000 2.819 41 F HA 0.354 4.805 4.527 -0.127 0.000 0.325 41 F C -1.601 173.952 175.800 -0.412 0.000 1.041 41 F CA -0.353 57.429 58.000 -0.364 0.000 1.184 41 F CB 1.795 40.651 39.000 -0.240 0.000 1.019 41 F HN -0.198 7.381 8.300 -1.201 0.000 0.590 42 c N -1.692 116.243 118.600 -1.107 0.000 3.321 42 c HA 0.334 4.779 4.570 -0.208 0.000 0.329 42 c C -1.658 172.219 174.090 -0.355 0.000 1.394 42 c CA -0.185 55.829 56.329 -0.525 0.000 1.291 42 c CB 4.078 46.363 42.510 -0.375 0.000 1.606 42 c HN -0.820 6.429 8.230 -1.635 0.000 0.463 43 G N -0.973 107.816 108.800 -0.018 0.000 2.705 43 G HA2 0.816 5.064 3.960 0.243 0.000 0.299 43 G HA3 0.816 4.910 3.960 0.223 0.000 0.299 43 G C -2.531 172.395 174.900 0.042 0.000 1.315 43 G CA -1.663 43.524 45.100 0.146 0.000 1.045 43 G HN 0.776 9.066 8.290 -0.001 0.000 0.517 44 G N -4.097 104.761 108.800 0.098 0.000 2.506 44 G HA2 0.506 4.795 3.960 0.074 0.000 0.292 44 G HA3 0.506 4.499 3.960 0.055 0.000 0.292 44 G C -2.916 172.069 174.900 0.142 0.000 1.425 44 G CA 0.337 45.488 45.100 0.085 0.000 0.788 44 G HN -0.612 7.771 8.290 0.154 0.000 0.490 45 S N -0.409 115.381 115.700 0.150 0.000 2.532 45 S HA 0.807 5.644 4.470 0.278 -0.200 0.299 45 S C -1.282 173.422 174.600 0.174 0.000 1.105 45 S CA -0.912 57.411 58.200 0.204 0.000 1.018 45 S CB 3.683 66.986 63.200 0.171 0.000 1.021 45 S HN 0.372 8.756 8.310 0.125 0.000 0.483 46 L N 6.383 127.725 121.223 0.198 0.000 2.313 46 L HA 0.146 4.685 4.340 0.149 -0.110 0.282 46 L C -0.733 176.222 176.870 0.143 0.000 1.092 46 L CA -0.079 54.859 54.840 0.162 0.000 0.831 46 L CB 0.906 43.061 42.059 0.160 0.000 1.159 46 L HN 0.434 8.820 8.230 0.261 0.000 0.442 47 I N 0.334 120.984 120.570 0.134 0.000 4.070 47 I HA 0.491 4.853 4.170 0.065 -0.153 0.328 47 I C -0.907 175.268 176.117 0.097 0.000 1.298 47 I CA -0.537 60.818 61.300 0.093 0.000 1.173 47 I CB 0.819 38.864 38.000 0.073 0.000 1.051 47 I HN 0.342 8.650 8.210 0.163 0.000 0.409 48 N N -2.308 116.473 118.700 0.134 0.000 3.179 48 N HA 0.168 4.964 4.740 0.094 0.000 0.250 48 N C -0.602 174.987 175.510 0.132 0.000 1.507 48 N CA -0.636 52.490 53.050 0.126 0.000 0.883 48 N CB 0.809 39.380 38.487 0.140 0.000 1.435 48 N HN -0.930 7.547 8.380 0.161 0.000 0.532 49 S N -3.469 112.295 115.700 0.107 0.000 2.507 49 S HA -0.313 4.200 4.470 0.073 0.000 0.235 49 S C 0.783 175.419 174.600 0.059 0.000 0.988 49 S CA 2.699 60.946 58.200 0.078 0.000 0.944 49 S CB -0.143 63.091 63.200 0.056 0.000 0.762 49 S HN 0.379 8.749 8.310 0.100 0.000 0.526 50 Q N -0.283 119.567 119.800 0.084 0.000 2.140 50 Q HA 0.341 4.628 4.340 -0.089 0.000 0.227 50 Q C -2.163 173.719 176.000 -0.195 0.000 0.798 50 Q CA -0.417 55.342 55.803 -0.073 0.000 0.987 50 Q CB 2.716 31.381 28.738 -0.121 0.000 1.161 50 Q HN 0.160 8.858 8.270 0.178 -0.321 0.480 51 W N -2.053 119.254 121.300 0.013 0.000 2.915 51 W HA 0.711 5.577 4.660 0.010 -0.200 0.337 51 W C -1.526 175.008 176.519 0.025 0.000 1.102 51 W CA -1.106 56.246 57.345 0.011 0.000 1.224 51 W CB 3.832 33.290 29.460 -0.004 0.000 1.416 51 W HN -0.358 8.113 8.180 0.266 -0.131 0.503 52 V N 1.315 121.389 119.914 0.267 0.000 2.769 52 V HA 0.777 5.179 4.120 0.172 -0.180 0.312 52 V C -1.367 174.843 176.094 0.194 0.000 1.061 52 V CA -1.743 60.665 62.300 0.181 0.000 0.931 52 V CB 3.549 35.435 31.823 0.105 0.000 1.010 52 V HN 0.790 9.147 8.190 0.278 0.000 0.433 53 V N 5.922 125.927 119.914 0.152 0.000 2.513 53 V HA 0.709 5.087 4.120 0.162 -0.161 0.299 53 V C -1.279 174.875 176.094 0.100 0.000 1.035 53 V CA -1.078 61.304 62.300 0.138 0.000 0.889 53 V CB 2.061 33.958 31.823 0.124 0.000 0.988 53 V HN 0.545 8.819 8.190 0.140 0.000 0.440 54 S N 4.389 120.136 115.700 0.078 0.000 2.973 54 S HA 0.548 5.247 4.470 0.034 -0.208 0.317 54 S C -2.026 172.567 174.600 -0.011 0.000 1.196 54 S CA -2.543 55.675 58.200 0.028 0.000 0.894 54 S CB 2.459 65.664 63.200 0.008 0.000 1.292 54 S HN 0.682 9.049 8.310 0.095 0.000 0.614 55 A N -0.682 122.091 122.820 -0.078 0.000 2.312 55 A HA 0.449 4.856 4.320 -0.104 -0.150 0.326 55 A C 0.558 178.028 177.584 -0.190 0.000 1.172 55 A CA -1.682 50.268 52.037 -0.145 0.000 0.821 55 A CB 1.716 20.571 19.000 -0.241 0.000 1.166 55 A HN 0.229 8.322 8.150 -0.094 0.000 0.493 56 A N 4.923 127.577 122.820 -0.277 0.000 1.978 56 A HA -0.266 3.910 4.320 -0.240 0.000 0.220 56 A C 1.319 178.681 177.584 -0.370 0.000 1.170 56 A CA 2.913 54.672 52.037 -0.463 0.000 0.636 56 A CB -0.431 17.890 19.000 -1.131 0.000 0.810 56 A HN 0.634 8.642 8.150 -0.264 -0.016 0.448 57 H N -4.894 114.021 119.070 -0.257 0.000 2.563 57 H HA -0.064 4.514 4.556 0.038 0.000 0.272 57 H C 0.170 175.545 175.328 0.079 0.000 1.005 57 H CA 1.433 57.480 56.048 -0.001 0.000 1.171 57 H CB -1.009 28.821 29.762 0.113 0.000 1.351 57 H HN -0.053 8.393 8.280 -0.174 -0.270 0.602 58 c N -1.676 116.858 118.600 -0.111 0.000 2.697 58 c HA 0.031 4.679 4.570 0.130 0.000 0.267 58 c C 0.337 174.511 174.090 0.141 0.000 1.278 58 c CA 0.031 56.389 56.329 0.048 0.000 1.708 58 c CB -1.546 40.956 42.510 -0.013 0.000 1.860 58 c HN -0.184 7.743 8.230 -0.189 0.189 0.589 59 Y N 2.981 123.286 120.300 0.008 0.000 2.712 59 Y HA -0.263 4.306 4.550 0.033 0.000 0.333 59 Y C -1.090 174.792 175.900 -0.031 0.000 1.225 59 Y CA 2.065 60.169 58.100 0.007 0.000 1.499 59 Y CB 0.750 39.201 38.460 -0.015 0.000 1.288 59 Y HN -0.571 7.627 8.280 0.162 0.179 0.575 60 K N 6.084 125.727 120.400 -1.262 0.000 2.711 60 K HA 0.188 4.074 4.320 -0.722 0.000 0.294 60 K C -2.325 173.764 176.600 -0.851 0.000 1.037 60 K CA -0.914 54.845 56.287 -0.879 0.000 0.858 60 K CB 2.414 34.559 32.500 -0.591 0.000 1.521 60 K HN -0.152 7.241 8.250 -1.429 0.000 0.386 61 S N -0.742 114.679 115.700 -0.464 0.000 2.713 61 S HA 0.089 4.392 4.470 -0.279 0.000 0.283 61 S C 0.791 175.265 174.600 -0.209 0.000 1.161 61 S CA -0.259 57.781 58.200 -0.266 0.000 0.999 61 S CB 1.462 64.596 63.200 -0.110 0.000 1.039 61 S HN -0.051 8.054 8.310 -0.341 0.000 0.548 62 G N -0.054 108.664 108.800 -0.137 0.000 2.204 62 G HA2 -0.202 3.707 3.960 -0.084 0.000 0.244 62 G HA3 -0.202 3.686 3.960 -0.119 0.000 0.244 62 G C -1.476 173.358 174.900 -0.109 0.000 1.062 62 G CA 0.054 45.087 45.100 -0.112 0.000 0.798 62 G HN 0.245 8.469 8.290 -0.109 0.000 0.496 63 I N -1.032 119.484 120.570 -0.089 0.000 2.365 63 I HA 0.100 4.399 4.170 0.014 -0.121 0.291 63 I C -1.600 174.478 176.117 -0.065 0.000 1.004 63 I CA -0.649 60.630 61.300 -0.035 0.000 1.311 63 I CB 0.745 38.746 38.000 0.002 0.000 1.401 63 I HN -0.459 7.693 8.210 -0.096 0.000 0.491 64 Q N 7.097 126.841 119.800 -0.093 0.000 3.184 64 Q HA 0.555 4.935 4.340 -0.091 -0.094 0.236 64 Q C -1.648 174.256 176.000 -0.160 0.000 1.038 64 Q CA -1.946 53.781 55.803 -0.126 0.000 0.857 64 Q CB 4.277 32.906 28.738 -0.181 0.000 1.957 64 Q HN 0.419 8.635 8.270 -0.089 0.000 0.453 65 R N -2.523 117.906 120.500 -0.118 0.000 3.008 65 R HA 0.406 4.983 4.340 0.114 -0.169 0.284 65 R C -1.385 174.944 176.300 0.049 0.000 1.187 65 R CA 0.038 56.110 56.100 -0.046 0.000 1.139 65 R CB 2.399 32.523 30.300 -0.293 0.000 1.273 65 R HN 0.564 8.747 8.270 -0.145 0.000 0.410 70 E N -0.389 119.906 120.200 0.159 0.000 2.283 70 E HA 0.115 4.542 4.350 0.127 0.000 0.271 70 E C -1.848 174.932 176.600 0.300 0.000 1.031 70 E CA 0.287 56.794 56.400 0.179 0.000 0.868 70 E CB 1.497 31.233 29.700 0.059 0.000 1.094 70 E HN -0.610 7.827 8.360 0.181 0.031 0.401 71 D N 1.004 121.558 120.400 0.257 0.000 2.912 71 D HA 0.052 4.902 4.640 0.350 0.000 0.170 71 D C -1.035 175.456 176.300 0.319 0.000 1.484 71 D CA 0.914 55.080 54.000 0.276 0.000 1.542 71 D CB 2.440 43.320 40.800 0.134 0.000 1.344 71 D HN 0.080 8.551 8.370 0.168 0.000 0.222 72 N N 1.328 120.128 118.700 0.166 0.000 2.405 72 N HA 0.116 5.085 4.740 0.168 -0.128 0.260 72 N C 2.166 177.682 175.510 0.011 0.000 1.152 72 N CA -0.256 52.863 53.050 0.114 0.000 0.948 72 N CB 0.335 38.865 38.487 0.072 0.000 1.111 72 N HN -0.391 8.365 8.380 0.123 -0.302 0.485 73 I N 0.791 121.278 120.570 -0.139 0.000 3.444 73 I HA -0.107 4.053 4.170 -0.269 -0.152 0.287 73 I C -0.589 175.443 176.117 -0.142 0.000 1.302 73 I CA 1.313 62.432 61.300 -0.301 0.000 1.368 73 I CB -0.849 36.727 38.000 -0.707 0.000 1.048 73 I HN 0.356 8.494 8.210 -0.120 0.000 0.487 74 N N -2.190 116.475 118.700 -0.059 0.000 2.205 74 N HA 0.139 4.863 4.740 -0.026 0.000 0.201 74 N C -0.945 174.572 175.510 0.012 0.000 1.128 74 N CA 0.063 53.103 53.050 -0.018 0.000 0.867 74 N CB 2.190 40.676 38.487 -0.002 0.000 0.996 74 N HN -0.058 8.581 8.380 -0.037 -0.281 0.503 75 V N 0.430 120.356 119.914 0.020 0.000 2.588 75 V HA 0.050 4.187 4.120 0.027 0.000 0.304 75 V C -1.388 174.727 176.094 0.035 0.000 1.042 75 V CA -1.069 61.248 62.300 0.028 0.000 0.877 75 V CB 3.105 34.944 31.823 0.026 0.000 0.996 75 V HN -0.819 7.418 8.190 0.012 -0.040 0.425 76 V N 7.724 127.655 119.914 0.027 0.000 2.372 76 V HA -0.178 4.172 4.120 0.015 -0.220 0.261 76 V C 0.163 176.252 176.094 -0.009 0.000 1.055 76 V CA 0.683 62.984 62.300 0.001 0.000 0.930 76 V CB -0.293 31.508 31.823 -0.037 0.000 1.031 76 V HN 0.329 8.533 8.190 0.024 0.000 0.479 77 E N 8.032 128.230 120.200 -0.003 0.000 2.460 77 E HA 0.125 4.474 4.350 -0.000 0.000 0.200 77 E C -0.113 176.480 176.600 -0.012 0.000 1.011 77 E CA -0.382 56.018 56.400 0.000 0.000 0.912 77 E CB 0.677 30.388 29.700 0.018 0.000 0.953 77 E HN 0.284 9.070 8.360 0.004 -0.424 0.494 78 G N 0.145 108.928 108.800 -0.029 0.000 2.576 78 G HA2 -0.225 3.698 3.960 -0.061 0.000 0.686 78 G HA3 -0.225 3.718 3.960 -0.027 0.000 0.686 78 G C -1.731 173.153 174.900 -0.028 0.000 1.242 78 G CA -0.710 44.367 45.100 -0.039 0.000 0.819 78 G HN -0.417 8.123 8.290 -0.039 -0.273 0.655 79 N N -3.839 114.840 118.700 -0.036 0.000 2.962 79 N HA -0.278 4.450 4.740 -0.019 0.000 0.206 79 N C -0.851 174.646 175.510 -0.021 0.000 0.907 79 N CA 1.342 54.381 53.050 -0.018 0.000 1.029 79 N CB -0.307 38.184 38.487 0.006 0.000 1.009 79 N HN 0.159 8.510 8.380 -0.049 0.000 0.587 80 E N -0.888 119.279 120.200 -0.055 0.000 2.383 80 E HA 0.102 4.710 4.350 0.039 -0.235 0.264 80 E C -0.140 176.388 176.600 -0.119 0.000 1.050 80 E CA 0.846 57.212 56.400 -0.057 0.000 0.896 80 E CB 0.438 30.043 29.700 -0.158 0.000 0.982 80 E HN -0.182 8.036 8.360 -0.074 0.097 0.424 81 Q N 1.581 121.383 119.800 0.002 0.000 2.274 81 Q HA 0.268 4.555 4.340 -0.088 0.000 0.268 81 Q C -1.533 174.611 176.000 0.240 0.000 1.015 81 Q CA -1.160 54.652 55.803 0.015 0.000 0.775 81 Q CB 3.030 31.789 28.738 0.035 0.000 1.256 81 Q HN 0.254 8.597 8.270 0.122 0.000 0.442 82 F N 3.693 123.622 119.950 -0.035 0.000 2.388 82 F HA 0.422 5.093 4.527 -0.052 -0.175 0.358 82 F C -0.203 175.572 175.800 -0.042 0.000 1.122 82 F CA -2.954 55.019 58.000 -0.045 0.000 1.056 82 F CB 0.863 39.835 39.000 -0.047 0.000 1.155 82 F HN 0.391 8.729 8.300 0.064 0.000 0.461 83 I N 4.220 124.861 120.570 0.117 0.000 2.533 83 I HA 0.242 4.438 4.170 0.044 0.000 0.290 83 I C -1.246 174.868 176.117 -0.006 0.000 1.056 83 I CA -1.417 59.906 61.300 0.039 0.000 1.057 83 I CB 3.918 41.927 38.000 0.015 0.000 1.240 83 I HN 0.839 9.102 8.210 0.088 0.000 0.423 84 S N 5.744 121.433 115.700 -0.018 0.000 2.585 84 S HA 0.041 4.481 4.470 -0.049 0.000 0.273 84 S C -0.410 174.155 174.600 -0.059 0.000 1.339 84 S CA 0.847 59.022 58.200 -0.041 0.000 1.028 84 S CB 0.909 64.087 63.200 -0.036 0.000 0.906 84 S HN 0.450 8.755 8.310 -0.008 0.000 0.528 85 A N 3.229 126.010 122.820 -0.065 0.000 2.401 85 A HA 0.128 4.482 4.320 -0.099 -0.094 0.259 85 A C -0.300 177.235 177.584 -0.081 0.000 1.103 85 A CA -0.167 51.823 52.037 -0.079 0.000 0.789 85 A CB 0.560 19.525 19.000 -0.058 0.000 1.035 85 A HN -0.095 8.018 8.150 -0.061 0.000 0.491 86 S N 3.509 119.140 115.700 -0.115 0.000 2.427 86 S HA 0.059 4.486 4.470 -0.071 0.000 0.224 86 S C 0.386 174.943 174.600 -0.072 0.000 1.047 86 S CA 1.373 59.514 58.200 -0.099 0.000 0.953 86 S CB 0.974 64.091 63.200 -0.138 0.000 0.824 86 S HN 0.867 8.963 8.310 -0.163 0.117 0.502 87 K N -0.098 120.251 120.400 -0.085 0.000 2.551 87 K HA 0.276 4.613 4.320 0.028 0.000 0.269 87 K C -2.365 174.256 176.600 0.035 0.000 0.949 87 K CA -0.603 55.681 56.287 -0.005 0.000 0.849 87 K CB 3.435 35.940 32.500 0.007 0.000 1.411 87 K HN -0.767 7.395 8.250 -0.147 0.000 0.432 88 S N 1.187 116.966 115.700 0.133 0.000 2.502 88 S HA 0.726 5.469 4.470 0.170 -0.171 0.304 88 S C -0.837 173.890 174.600 0.212 0.000 1.097 88 S CA -0.464 57.858 58.200 0.203 0.000 1.045 88 S CB 2.612 65.998 63.200 0.310 0.000 1.019 88 S HN 0.176 8.581 8.310 0.157 0.000 0.481 89 I N 7.436 128.140 120.570 0.224 0.000 2.405 89 I HA 0.111 4.370 4.170 0.149 0.000 0.280 89 I C -1.514 174.743 176.117 0.234 0.000 1.027 89 I CA -0.842 60.584 61.300 0.209 0.000 1.161 89 I CB 1.387 39.528 38.000 0.234 0.000 1.300 89 I HN 1.012 9.267 8.210 0.252 0.106 0.463 90 V N 7.959 127.944 119.914 0.118 0.000 2.686 90 V HA -0.176 3.987 4.120 0.071 0.000 0.295 90 V C -0.224 175.951 176.094 0.135 0.000 1.055 90 V CA -0.366 61.970 62.300 0.061 0.000 1.050 90 V CB 0.819 32.583 31.823 -0.098 0.000 0.984 90 V HN 0.368 8.582 8.190 0.039 0.000 0.482 91 H N 8.920 127.972 119.070 -0.030 0.000 3.094 91 H HA -0.052 4.346 4.556 -0.265 0.000 0.320 91 H C -0.459 174.844 175.328 -0.042 0.000 1.000 91 H CA 0.540 56.448 56.048 -0.234 0.000 1.413 91 H CB 1.478 30.932 29.762 -0.513 0.000 1.405 91 H HN -0.221 8.098 8.280 0.066 0.000 0.586 92 P HA -0.104 4.337 4.420 0.035 0.000 0.218 92 P C -0.359 177.005 177.300 0.107 0.000 1.148 92 P CA 1.475 64.569 63.100 -0.009 0.000 0.822 92 P CB 0.363 32.032 31.700 -0.052 0.000 0.784 93 S N -3.587 112.285 115.700 0.287 0.000 2.622 93 S HA 0.030 4.562 4.470 0.104 0.000 0.236 93 S C -0.574 174.123 174.600 0.161 0.000 0.956 93 S CA 0.062 58.385 58.200 0.206 0.000 0.971 93 S CB 0.310 63.623 63.200 0.188 0.000 0.782 93 S HN -0.403 8.210 8.310 0.552 0.029 0.468 94 Y N 3.649 123.990 120.300 0.069 0.000 2.526 94 Y HA -0.313 4.377 4.550 -0.060 -0.176 0.330 94 Y C -0.933 174.955 175.900 -0.019 0.000 1.156 94 Y CA 0.760 58.854 58.100 -0.010 0.000 1.419 94 Y CB 0.771 39.233 38.460 0.003 0.000 1.250 94 Y HN -0.774 7.625 8.280 0.333 0.081 0.540 95 N N 7.589 125.915 118.700 -0.624 0.000 2.511 95 N HA 0.204 4.666 4.740 -0.464 0.000 0.249 95 N C -0.202 174.775 175.510 -0.889 0.000 0.971 95 N CA -1.302 51.403 53.050 -0.575 0.000 0.938 95 N CB 1.578 39.892 38.487 -0.289 0.000 1.131 95 N HN -0.219 7.911 8.380 -0.417 0.000 0.505 96 S N 6.778 121.957 115.700 -0.868 0.000 2.515 96 S HA -0.080 4.001 4.470 -0.647 0.000 0.231 96 S C 0.671 175.086 174.600 -0.308 0.000 0.987 96 S CA 2.284 60.147 58.200 -0.561 0.000 0.936 96 S CB -0.219 62.838 63.200 -0.239 0.000 0.766 96 S HN 0.632 8.537 8.310 -0.675 0.000 0.528 97 N N 2.151 120.676 118.700 -0.292 0.000 2.336 97 N HA 0.044 4.661 4.740 -0.205 0.000 0.177 97 N C 1.080 176.425 175.510 -0.274 0.000 1.018 97 N CA 2.299 55.212 53.050 -0.230 0.000 0.878 97 N CB 0.661 39.042 38.487 -0.177 0.000 0.997 97 N HN 0.284 8.708 8.380 -0.322 -0.237 0.433 98 T N -3.917 110.469 114.554 -0.279 0.000 3.014 98 T HA 0.064 4.206 4.350 -0.348 0.000 0.250 98 T C 0.204 174.704 174.700 -0.333 0.000 1.060 98 T CA 0.418 62.340 62.100 -0.295 0.000 1.040 98 T CB 1.626 70.378 68.868 -0.193 0.000 0.971 98 T HN -0.396 7.960 8.240 -0.274 -0.280 0.497 99 L N -3.453 117.610 121.223 -0.266 0.000 4.089 99 L HA -0.510 3.932 4.340 0.048 -0.073 0.408 99 L C -1.853 175.039 176.870 0.037 0.000 1.184 99 L CA 0.429 55.222 54.840 -0.078 0.000 0.947 99 L CB -2.632 39.324 42.059 -0.171 0.000 2.066 99 L HN -0.160 7.842 8.230 -0.304 0.045 0.851 100 N N -1.077 117.602 118.700 -0.035 0.000 2.518 100 N HA -0.166 4.617 4.740 0.072 0.000 0.266 100 N C 0.086 175.632 175.510 0.060 0.000 1.196 100 N CA 0.649 53.713 53.050 0.024 0.000 0.947 100 N CB 1.201 39.675 38.487 -0.022 0.000 1.098 100 N HN -0.715 7.546 8.380 -0.129 0.042 0.450 101 N N -0.939 117.790 118.700 0.048 0.000 2.756 101 N HA -0.468 4.174 4.740 -0.164 0.000 0.248 101 N C -1.481 173.996 175.510 -0.055 0.000 1.062 101 N CA 1.380 54.353 53.050 -0.128 0.000 0.696 101 N CB -1.562 36.726 38.487 -0.331 0.000 0.946 101 N HN 0.606 9.043 8.380 0.094 0.000 0.548 102 D N -1.097 119.315 120.400 0.020 0.000 2.551 102 D HA 0.057 4.690 4.640 -0.012 0.000 0.223 102 D C -1.654 174.553 176.300 -0.155 0.000 1.144 102 D CA -0.407 53.604 54.000 0.018 0.000 1.025 102 D CB -0.685 40.221 40.800 0.177 0.000 1.085 102 D HN -0.118 8.277 8.370 0.043 0.000 0.506 103 I N 2.294 122.712 120.570 -0.253 0.000 2.827 103 I HA 0.558 4.819 4.170 -0.128 -0.168 0.298 103 I C -3.089 172.987 176.117 -0.070 0.000 1.235 103 I CA -1.449 59.731 61.300 -0.200 0.000 1.021 103 I CB 4.147 41.895 38.000 -0.420 0.000 1.259 103 I HN -0.160 7.852 8.210 -0.267 0.037 0.427 104 M N 6.297 125.928 119.600 0.052 0.000 2.470 104 M HA 0.706 5.502 4.480 0.237 -0.174 0.285 104 M C -2.773 173.660 176.300 0.222 0.000 1.213 104 M CA -1.060 54.335 55.300 0.158 0.000 0.901 104 M CB 4.833 37.483 32.600 0.084 0.000 1.718 104 M HN 0.434 8.750 8.290 0.043 0.000 0.469 105 L N 3.088 124.482 121.223 0.284 0.000 2.334 105 L HA 0.859 5.530 4.340 0.271 -0.168 0.276 105 L C -1.302 175.763 176.870 0.325 0.000 1.014 105 L CA -1.495 53.530 54.840 0.308 0.000 0.815 105 L CB 3.199 45.422 42.059 0.273 0.000 1.268 105 L HN 0.382 8.802 8.230 0.317 0.000 0.428 106 I N 0.933 121.676 120.570 0.289 0.000 2.465 106 I HA 0.542 4.933 4.170 0.099 -0.162 0.291 106 I C -1.623 174.438 176.117 -0.094 0.000 1.014 106 I CA -1.370 59.994 61.300 0.107 0.000 1.093 106 I CB 3.103 41.136 38.000 0.056 0.000 1.267 106 I HN 0.944 9.348 8.210 0.324 0.000 0.431 107 K N 6.654 126.801 120.400 -0.422 0.000 2.159 107 K HA 0.638 4.288 4.320 -1.373 -0.154 0.266 107 K C -1.112 175.197 176.600 -0.486 0.000 0.975 107 K CA -1.850 53.845 56.287 -0.987 0.000 0.865 107 K CB 2.992 34.754 32.500 -1.230 0.000 1.087 107 K HN 0.720 8.811 8.250 -0.265 0.000 0.446 108 L N 4.721 125.693 121.223 -0.418 0.000 2.395 108 L HA 0.198 4.546 4.340 -0.168 -0.108 0.269 108 L C 1.817 178.570 176.870 -0.195 0.000 1.133 108 L CA -0.010 54.698 54.840 -0.220 0.000 0.812 108 L CB 0.407 42.379 42.059 -0.146 0.000 1.125 108 L HN 0.837 8.637 8.230 -0.537 0.107 0.452 109 K N 3.262 123.587 120.400 -0.125 0.000 2.097 109 K HA -0.327 3.929 4.320 -0.107 0.000 0.206 109 K C -0.637 175.915 176.600 -0.081 0.000 1.049 109 K CA 2.592 58.822 56.287 -0.094 0.000 0.933 109 K CB 0.368 32.830 32.500 -0.062 0.000 0.717 109 K HN 0.532 8.719 8.250 -0.104 0.000 0.442 110 S N -4.216 111.443 115.700 -0.068 0.000 2.627 110 S HA 0.118 4.558 4.470 -0.050 0.000 0.283 110 S C -1.802 172.769 174.600 -0.047 0.000 1.127 110 S CA -1.061 57.110 58.200 -0.049 0.000 0.863 110 S CB 2.771 65.954 63.200 -0.029 0.000 1.121 110 S HN -0.397 7.874 8.310 -0.064 0.000 0.479 111 A N -0.579 122.223 122.820 -0.031 0.000 2.386 111 A HA 0.120 4.564 4.320 -0.028 -0.140 0.248 111 A C -0.370 177.212 177.584 -0.003 0.000 1.082 111 A CA -0.189 51.838 52.037 -0.016 0.000 0.789 111 A CB 0.558 19.559 19.000 0.001 0.000 1.025 111 A HN 0.205 8.340 8.150 -0.025 0.000 0.490 112 A N 0.654 123.479 122.820 0.009 0.000 2.304 112 A HA 0.215 4.613 4.320 0.013 -0.070 0.271 112 A C -0.556 177.041 177.584 0.021 0.000 1.091 112 A CA -1.390 50.658 52.037 0.018 0.000 0.812 112 A CB 1.507 20.526 19.000 0.032 0.000 1.056 112 A HN 0.364 8.412 8.150 0.013 0.110 0.489 113 S N 0.261 115.972 115.700 0.018 0.000 2.430 113 S HA 0.078 4.559 4.470 0.017 0.000 0.289 113 S C -0.492 174.123 174.600 0.025 0.000 1.143 113 S CA -0.418 57.792 58.200 0.017 0.000 1.067 113 S CB 0.440 63.645 63.200 0.008 0.000 0.964 113 S HN 0.012 8.675 8.310 0.016 -0.344 0.485 114 L N 6.035 127.276 121.223 0.030 0.000 2.375 114 L HA 0.218 4.706 4.340 0.042 -0.123 0.271 114 L C -0.450 176.438 176.870 0.031 0.000 1.107 114 L CA -0.236 54.627 54.840 0.038 0.000 0.806 114 L CB 0.713 42.799 42.059 0.045 0.000 1.146 114 L HN 0.207 8.454 8.230 0.028 0.000 0.447 115 N N 2.355 121.075 118.700 0.033 0.000 3.622 115 N HA 0.127 4.882 4.740 0.025 0.000 0.352 115 N C -1.455 174.074 175.510 0.031 0.000 1.559 115 N CA -0.430 52.636 53.050 0.027 0.000 0.801 115 N CB 0.550 39.048 38.487 0.020 0.000 2.399 115 N HN 0.461 8.758 8.380 0.040 0.107 0.545 116 S N -2.881 112.835 115.700 0.026 0.000 2.470 116 S HA -0.073 4.418 4.470 0.036 0.000 0.225 116 S C 0.698 175.315 174.600 0.028 0.000 1.006 116 S CA 1.865 60.083 58.200 0.029 0.000 0.934 116 S CB 0.308 63.522 63.200 0.023 0.000 0.778 116 S HN 0.023 8.346 8.310 0.021 0.000 0.517 117 R N -0.941 119.573 120.500 0.024 0.000 2.210 117 R HA 0.099 4.448 4.340 0.015 0.000 0.203 117 R C -1.098 175.218 176.300 0.027 0.000 1.010 117 R CA 0.359 56.471 56.100 0.020 0.000 1.008 117 R CB 0.846 31.157 30.300 0.018 0.000 0.923 117 R HN -0.002 8.536 8.270 0.022 -0.255 0.469 118 V N -1.715 118.221 119.914 0.037 0.000 2.443 118 V HA 0.251 4.589 4.120 0.050 -0.187 0.293 118 V C -2.183 173.950 176.094 0.065 0.000 1.021 118 V CA -1.060 61.270 62.300 0.050 0.000 0.848 118 V CB 2.619 34.470 31.823 0.047 0.000 0.998 118 V HN -0.427 8.012 8.190 0.035 -0.227 0.424 119 A N 6.456 129.331 122.820 0.092 0.000 2.587 119 A HA 0.463 4.834 4.320 0.086 0.000 0.293 119 A C -2.786 174.890 177.584 0.153 0.000 1.087 119 A CA -1.030 51.073 52.037 0.109 0.000 0.692 119 A CB 3.361 22.428 19.000 0.111 0.000 1.291 119 A HN 0.163 8.258 8.150 0.101 0.116 0.407 120 S N -1.438 114.337 115.700 0.125 0.000 2.693 120 S HA 0.549 5.251 4.470 0.162 -0.134 0.276 120 S C -0.536 174.118 174.600 0.090 0.000 1.192 120 S CA -1.211 57.063 58.200 0.124 0.000 0.994 120 S CB 1.719 64.972 63.200 0.088 0.000 1.012 120 S HN -0.006 8.362 8.310 0.097 0.000 0.550 121 I N 0.508 121.085 120.570 0.013 0.000 2.562 121 I HA 0.222 4.319 4.170 -0.120 0.000 0.301 121 I C -1.066 175.000 176.117 -0.086 0.000 1.003 121 I CA -1.564 59.646 61.300 -0.150 0.000 1.127 121 I CB 3.979 41.662 38.000 -0.529 0.000 1.304 121 I HN 0.174 8.406 8.210 0.037 0.000 0.446 122 S N 6.399 122.048 115.700 -0.084 0.000 2.584 122 S HA 0.210 4.663 4.470 -0.027 0.000 0.273 122 S C -0.605 173.967 174.600 -0.047 0.000 1.311 122 S CA -0.153 58.018 58.200 -0.047 0.000 1.034 122 S CB 0.769 63.947 63.200 -0.038 0.000 0.939 122 S HN 0.254 8.502 8.310 -0.104 0.000 0.513 123 L N 2.982 124.193 121.223 -0.021 0.000 2.418 123 L HA 0.133 4.473 4.340 -0.000 0.000 0.265 123 L C -1.285 175.581 176.870 -0.006 0.000 1.143 123 L CA -1.880 52.958 54.840 -0.003 0.000 0.809 123 L CB 0.100 42.166 42.059 0.012 0.000 1.124 123 L HN 0.217 8.437 8.230 -0.016 0.000 0.456 124 P HA 0.138 4.546 4.420 -0.019 0.000 0.276 124 P C -1.196 176.102 177.300 -0.003 0.000 1.252 124 P CA -0.766 62.329 63.100 -0.008 0.000 0.802 124 P CB 0.748 32.442 31.700 -0.010 0.000 1.035 128 c N 0.551 119.124 118.600 -0.045 0.000 2.500 128 c HA 0.070 4.599 4.570 -0.069 0.000 0.367 128 c C -0.012 174.016 174.090 -0.103 0.000 1.283 128 c CA -0.647 55.639 56.329 -0.072 0.000 2.456 128 c CB 0.510 42.982 42.510 -0.063 0.000 2.457 128 c HN -0.042 8.164 8.230 -0.039 0.000 0.632 129 A N 0.645 123.366 122.820 -0.165 0.000 2.279 129 A HA 0.091 4.336 4.320 -0.126 0.000 0.303 129 A C -0.894 176.586 177.584 -0.173 0.000 1.108 129 A CA -0.371 51.560 52.037 -0.176 0.000 0.830 129 A CB 1.227 20.082 19.000 -0.241 0.000 1.106 129 A HN 0.211 8.233 8.150 -0.214 0.000 0.493 133 G N 2.007 110.769 108.800 -0.062 0.000 2.253 133 G HA2 -0.307 3.621 3.960 -0.053 0.000 0.251 133 G HA3 -0.307 3.627 3.960 -0.043 0.000 0.251 133 G C 0.268 175.131 174.900 -0.062 0.000 0.998 133 G CA -0.028 45.039 45.100 -0.054 0.000 0.621 133 G HN 0.828 8.967 8.290 -0.064 0.113 0.524 134 T N 3.523 118.029 114.554 -0.081 0.000 2.928 134 T HA -0.169 4.143 4.350 -0.063 0.000 0.305 134 T C -0.953 173.702 174.700 -0.076 0.000 1.035 134 T CA 2.320 64.371 62.100 -0.081 0.000 1.145 134 T CB 0.789 69.588 68.868 -0.114 0.000 0.963 134 T HN -0.553 7.547 8.240 -0.094 0.083 0.545 135 Q N 5.815 125.584 119.800 -0.051 0.000 2.256 135 Q HA 0.170 4.596 4.340 -0.043 -0.112 0.254 135 Q C -0.920 175.061 176.000 -0.031 0.000 0.916 135 Q CA 0.188 55.971 55.803 -0.033 0.000 0.932 135 Q CB 1.444 30.178 28.738 -0.006 0.000 1.207 135 Q HN 0.197 8.441 8.270 -0.043 0.000 0.426 136 c N 3.213 121.796 118.600 -0.028 0.000 3.044 136 c HA 0.613 5.279 4.570 -0.018 -0.106 0.315 136 c C -1.880 172.216 174.090 0.010 0.000 1.320 136 c CA -1.600 54.715 56.329 -0.023 0.000 1.582 136 c CB 4.342 46.818 42.510 -0.057 0.000 2.039 136 c HN 0.781 8.884 8.230 -0.030 0.109 0.466 137 L N 0.774 122.011 121.223 0.023 0.000 2.333 137 L HA 0.906 5.466 4.340 0.056 -0.186 0.280 137 L C -2.223 174.663 176.870 0.028 0.000 1.004 137 L CA -1.387 53.481 54.840 0.047 0.000 0.820 137 L CB 3.287 45.396 42.059 0.083 0.000 1.247 137 L HN 0.579 8.714 8.230 0.017 0.105 0.416 138 I N 7.241 127.813 120.570 0.004 0.000 2.474 138 I HA 0.863 5.273 4.170 0.017 -0.229 0.294 138 I C -1.344 174.744 176.117 -0.048 0.000 1.005 138 I CA -1.542 59.756 61.300 -0.003 0.000 1.113 138 I CB 2.587 40.587 38.000 0.001 0.000 1.289 138 I HN 0.805 9.019 8.210 0.006 0.000 0.436 139 S N 2.443 118.105 115.700 -0.062 0.000 2.618 139 S HA 1.029 5.527 4.470 -0.229 -0.165 0.277 139 S C -1.155 173.325 174.600 -0.201 0.000 1.138 139 S CA -1.780 56.306 58.200 -0.190 0.000 0.844 139 S CB 3.752 66.802 63.200 -0.251 0.000 1.127 139 S HN -0.202 8.103 8.310 -0.008 0.000 0.474 140 G N -1.233 107.354 108.800 -0.356 0.000 2.321 140 G HA2 0.137 3.862 3.960 -0.391 0.000 0.298 140 G HA3 0.137 4.200 3.960 -0.056 -0.136 0.298 140 G C -2.328 172.353 174.900 -0.364 0.000 1.385 140 G CA 0.536 45.458 45.100 -0.298 0.000 0.856 140 G HN 0.204 8.221 8.290 -0.456 0.000 0.584 141 W N 1.201 122.450 121.300 -0.084 0.000 3.015 141 W HA 0.379 4.986 4.660 -0.088 0.000 0.429 141 W C -0.342 176.219 176.519 0.071 0.000 0.976 141 W CA -0.976 56.284 57.345 -0.142 0.000 2.086 141 W CB -0.024 29.124 29.460 -0.520 0.000 1.125 141 W HN 0.594 8.944 8.180 0.283 0.000 0.721 142 G N 0.730 109.707 108.800 0.295 0.000 2.563 142 G HA2 -0.020 4.290 3.960 0.583 0.000 0.283 142 G HA3 -0.020 4.291 3.960 0.279 -0.184 0.283 142 G C -1.085 173.893 174.900 0.130 0.000 1.309 142 G CA -0.869 44.440 45.100 0.348 0.000 1.022 142 G HN -0.425 8.129 8.290 0.177 -0.157 0.501 143 N N -0.612 118.045 118.700 -0.072 0.000 2.356 143 N HA -0.296 4.102 4.740 -0.859 -0.174 0.252 143 N C 0.877 176.279 175.510 -0.181 0.000 1.241 143 N CA 1.028 53.816 53.050 -0.436 0.000 0.861 143 N CB 0.596 38.844 38.487 -0.398 0.000 1.075 143 N HN 0.091 8.541 8.380 0.117 0.000 0.461 144 T N 0.513 114.960 114.554 -0.178 0.000 3.054 144 T HA 0.182 4.624 4.350 -0.060 -0.128 0.255 144 T C 0.200 174.858 174.700 -0.071 0.000 1.035 144 T CA 0.455 62.504 62.100 -0.085 0.000 0.941 144 T CB 1.381 70.213 68.868 -0.060 0.000 1.026 144 T HN 0.293 8.384 8.240 -0.249 0.000 0.533 145 K N 2.511 122.855 120.400 -0.093 0.000 2.221 145 K HA 0.275 4.573 4.320 -0.038 0.000 0.258 145 K C -0.497 176.079 176.600 -0.040 0.000 0.944 145 K CA -1.111 55.142 56.287 -0.056 0.000 0.823 145 K CB 2.408 34.874 32.500 -0.058 0.000 1.113 145 K HN -0.559 7.861 8.250 -0.147 -0.258 0.431 146 S N 0.952 116.642 115.700 -0.017 0.000 2.458 146 S HA -0.093 4.379 4.470 0.004 0.000 0.223 146 S C 0.042 174.644 174.600 0.004 0.000 1.019 146 S CA 1.858 60.059 58.200 0.001 0.000 0.937 146 S CB 0.806 64.012 63.200 0.009 0.000 0.788 146 S HN 0.150 8.452 8.310 -0.014 0.000 0.511 147 S N 1.643 117.342 115.700 -0.001 0.000 2.252 147 S HA 0.198 4.673 4.470 0.009 0.000 0.180 147 S C -0.787 173.812 174.600 -0.001 0.000 1.534 147 S CA -0.130 58.073 58.200 0.004 0.000 1.141 147 S CB -0.638 62.565 63.200 0.005 0.000 1.122 147 S HN -0.433 7.846 8.310 -0.007 0.026 0.475 148 G N 0.971 109.769 108.800 -0.003 0.000 2.354 148 G HA2 -0.167 3.799 3.960 0.009 0.000 0.582 148 G HA3 -0.167 3.790 3.960 -0.005 0.000 0.582 148 G C -2.745 172.137 174.900 -0.030 0.000 1.316 148 G CA -0.643 44.454 45.100 -0.005 0.000 0.995 148 G HN -0.447 7.843 8.290 -0.000 0.000 0.573 149 T N -3.634 110.903 114.554 -0.028 0.000 2.786 149 T HA 0.138 4.561 4.350 -0.216 -0.203 0.283 149 T C -1.211 173.416 174.700 -0.120 0.000 0.992 149 T CA -1.700 60.337 62.100 -0.105 0.000 0.954 149 T CB 1.949 70.849 68.868 0.053 0.000 0.934 149 T HN -0.205 8.037 8.240 0.004 0.000 0.440 150 S N 4.693 120.243 115.700 -0.249 0.000 2.707 150 S HA 0.262 4.733 4.470 0.003 0.000 0.303 150 S C -2.117 172.346 174.600 -0.229 0.000 1.132 150 S CA -0.900 57.236 58.200 -0.106 0.000 1.046 150 S CB 1.392 64.555 63.200 -0.062 0.000 1.004 150 S HN 0.763 9.238 8.310 -0.390 -0.399 0.483 151 Y N 5.784 126.124 120.300 0.066 0.000 2.330 151 Y HA 0.238 4.846 4.550 0.096 0.000 0.336 151 Y C -0.875 175.075 175.900 0.084 0.000 1.036 151 Y CA -2.731 55.422 58.100 0.088 0.000 1.125 151 Y CB 1.281 39.804 38.460 0.105 0.000 1.194 151 Y HN 0.165 8.597 8.280 0.253 0.000 0.469 152 P HA 0.275 4.773 4.420 0.129 0.000 0.278 152 P C -1.618 175.811 177.300 0.215 0.000 1.266 152 P CA -1.129 62.074 63.100 0.171 0.000 0.807 152 P CB 1.931 33.702 31.700 0.118 0.000 1.094 153 D N -2.639 117.864 120.400 0.171 0.000 2.323 153 D HA -0.015 4.694 4.640 0.115 0.000 0.218 153 D C -0.713 175.739 176.300 0.254 0.000 0.973 153 D CA 1.725 55.816 54.000 0.152 0.000 0.890 153 D CB 0.931 41.788 40.800 0.096 0.000 1.011 153 D HN 0.393 8.844 8.370 0.135 0.000 0.499 154 V N -7.785 112.272 119.914 0.239 0.000 2.966 154 V HA 0.567 5.181 4.120 0.413 -0.246 0.317 154 V C -0.778 175.372 176.094 0.095 0.000 1.070 154 V CA -2.775 59.678 62.300 0.256 0.000 1.008 154 V CB 1.956 33.846 31.823 0.112 0.000 1.070 154 V HN -0.924 7.364 8.190 0.164 0.000 0.457 155 L N 1.547 122.695 121.223 -0.124 0.000 2.455 155 L HA -0.039 3.472 4.340 -1.381 0.000 0.272 155 L C -0.344 176.260 176.870 -0.443 0.000 1.174 155 L CA 0.758 55.169 54.840 -0.715 0.000 0.869 155 L CB 0.561 42.185 42.059 -0.727 0.000 1.130 155 L HN -0.111 8.341 8.230 0.077 -0.176 0.474 156 K N 5.694 125.811 120.400 -0.473 0.000 2.156 156 K HA 0.703 4.979 4.320 -0.339 -0.159 0.250 156 K C -1.124 175.214 176.600 -0.437 0.000 0.955 156 K CA -2.492 53.577 56.287 -0.363 0.000 0.855 156 K CB 2.444 34.797 32.500 -0.245 0.000 1.101 156 K HN -0.282 7.609 8.250 -0.599 0.000 0.434 157 c N -0.679 117.563 118.600 -0.597 0.000 2.707 157 c HA 0.950 5.451 4.570 -0.402 -0.171 0.313 157 c C -1.792 171.936 174.090 -0.604 0.000 1.209 157 c CA -0.752 55.178 56.329 -0.665 0.000 1.635 157 c CB 3.624 45.577 42.510 -0.928 0.000 2.206 157 c HN 0.745 8.550 8.230 -0.708 0.000 0.485 158 L N 0.101 121.185 121.223 -0.232 0.000 2.493 158 L HA 0.382 4.787 4.340 0.109 0.000 0.265 158 L C -2.461 174.486 176.870 0.129 0.000 0.954 158 L CA 0.077 54.930 54.840 0.022 0.000 0.844 158 L CB 4.464 46.549 42.059 0.043 0.000 1.302 158 L HN 0.729 8.856 8.230 -0.171 0.000 0.405 159 K N 5.914 126.453 120.400 0.233 0.000 2.213 159 K HA 0.811 5.413 4.320 0.132 -0.203 0.270 159 K C -1.019 175.711 176.600 0.217 0.000 1.002 159 K CA -1.398 55.002 56.287 0.188 0.000 0.868 159 K CB 1.149 33.761 32.500 0.188 0.000 1.093 159 K HN 0.324 8.750 8.250 0.293 0.000 0.454 160 A N 4.242 127.122 122.820 0.100 0.000 2.520 160 A HA 0.646 4.942 4.320 -0.039 0.000 0.298 160 A C -3.398 174.114 177.584 -0.121 0.000 1.051 160 A CA -2.662 49.359 52.037 -0.028 0.000 0.690 160 A CB 3.109 22.094 19.000 -0.024 0.000 1.281 160 A HN 0.901 9.081 8.150 0.051 0.000 0.402 161 P HA 0.703 5.269 4.420 -0.102 -0.207 0.282 161 P C -1.117 176.111 177.300 -0.120 0.000 1.259 161 P CA -1.426 61.585 63.100 -0.149 0.000 0.826 161 P CB 1.560 33.170 31.700 -0.149 0.000 1.064 162 I N 0.007 120.525 120.570 -0.087 0.000 2.441 162 I HA -0.019 4.302 4.170 0.068 -0.110 0.287 162 I C 0.102 176.206 176.117 -0.022 0.000 1.049 162 I CA 0.329 61.607 61.300 -0.036 0.000 1.381 162 I CB 0.414 38.313 38.000 -0.168 0.000 1.409 162 I HN 0.144 8.294 8.210 -0.100 0.000 0.523 163 L N 6.540 127.786 121.223 0.038 0.000 2.416 163 L HA 0.270 4.602 4.340 -0.013 0.000 0.262 163 L C 0.003 176.892 176.870 0.032 0.000 1.093 163 L CA -0.923 53.930 54.840 0.021 0.000 0.801 163 L CB 0.577 42.658 42.059 0.037 0.000 1.191 163 L HN 0.283 8.474 8.230 0.116 0.108 0.459 164 S N -1.350 114.362 115.700 0.020 0.000 2.593 164 S HA -0.094 4.384 4.470 0.012 0.000 0.269 164 S C 0.455 175.081 174.600 0.044 0.000 1.334 164 S CA -0.774 57.438 58.200 0.021 0.000 1.015 164 S CB 1.715 64.921 63.200 0.011 0.000 0.912 164 S HN -0.072 8.245 8.310 0.011 0.000 0.541 165 D N 1.429 121.855 120.400 0.044 0.000 2.178 165 D HA -0.227 4.463 4.640 0.083 0.000 0.201 165 D C 1.713 178.046 176.300 0.054 0.000 0.980 165 D CA 3.240 57.276 54.000 0.061 0.000 0.842 165 D CB -0.212 40.619 40.800 0.052 0.000 0.948 165 D HN 0.556 8.945 8.370 0.031 0.000 0.472 166 S N -1.148 114.575 115.700 0.038 0.000 2.368 166 S HA -0.303 4.189 4.470 0.036 0.000 0.224 166 S C 2.098 176.718 174.600 0.033 0.000 1.029 166 S CA 3.633 61.852 58.200 0.033 0.000 0.988 166 S CB -0.232 62.980 63.200 0.021 0.000 0.838 166 S HN 0.008 8.327 8.310 0.030 0.009 0.462 167 S N 3.353 119.071 115.700 0.030 0.000 2.383 167 S HA -0.224 4.253 4.470 0.012 0.000 0.227 167 S C 1.784 176.406 174.600 0.036 0.000 1.026 167 S CA 3.968 62.182 58.200 0.022 0.000 0.981 167 S CB -0.158 63.052 63.200 0.017 0.000 0.818 167 S HN -0.524 7.804 8.310 0.029 0.000 0.472 168 c N 3.487 122.127 118.600 0.067 0.000 2.432 168 c HA -0.314 4.331 4.570 0.124 0.000 0.277 168 c C 1.717 175.891 174.090 0.139 0.000 1.249 168 c CA 2.791 59.190 56.329 0.116 0.000 1.725 168 c CB -1.741 40.845 42.510 0.128 0.000 2.028 168 c HN -0.088 8.180 8.230 0.065 0.000 0.477 169 K N -1.163 119.302 120.400 0.109 0.000 2.148 169 K HA -0.309 4.105 4.320 0.157 0.000 0.204 169 K C 2.387 179.032 176.600 0.075 0.000 1.050 169 K CA 2.943 59.296 56.287 0.110 0.000 0.942 169 K CB -0.271 32.279 32.500 0.083 0.000 0.724 169 K HN 0.143 8.447 8.250 0.090 0.000 0.446 170 S N -1.160 114.563 115.700 0.039 0.000 2.406 170 S HA -0.193 4.286 4.470 0.015 0.000 0.228 170 S C 1.418 175.997 174.600 -0.036 0.000 1.020 170 S CA 2.636 60.840 58.200 0.007 0.000 0.965 170 S CB -0.112 63.087 63.200 -0.002 0.000 0.798 170 S HN -0.252 7.982 8.310 0.040 0.100 0.488 171 A N -0.280 122.492 122.820 -0.079 0.000 1.929 171 A HA -0.102 4.067 4.320 -0.251 0.000 0.216 171 A C -0.229 177.089 177.584 -0.444 0.000 1.176 171 A CA 1.984 53.846 52.037 -0.292 0.000 0.628 171 A CB 0.844 19.607 19.000 -0.396 0.000 0.816 171 A HN -0.501 7.522 8.150 -0.028 0.110 0.444 172 Y N -5.592 114.745 120.300 0.061 0.000 2.495 172 Y HA 0.459 5.081 4.550 0.120 0.000 0.362 172 Y C -2.421 173.540 175.900 0.102 0.000 0.956 172 Y CA -3.556 54.613 58.100 0.115 0.000 1.127 172 Y CB -0.250 38.323 38.460 0.189 0.000 1.173 172 Y HN -0.481 7.860 8.280 0.102 0.000 0.639 173 P HA -0.128 4.473 4.420 0.108 -0.115 0.262 173 P C 0.903 178.275 177.300 0.120 0.000 1.182 173 P CA 1.199 64.367 63.100 0.113 0.000 0.761 173 P CB 0.100 31.838 31.700 0.064 0.000 0.795 174 G N 3.698 112.558 108.800 0.099 0.000 2.196 174 G HA2 -0.370 3.626 3.960 0.060 0.000 0.268 174 G HA3 -0.370 3.624 3.960 0.057 0.000 0.268 174 G C 0.130 175.080 174.900 0.083 0.000 0.975 174 G CA 0.764 45.909 45.100 0.074 0.000 0.648 174 G HN 0.522 8.868 8.290 0.093 0.000 0.538 175 Q N -2.497 117.390 119.800 0.144 0.000 2.189 175 Q HA 0.097 4.462 4.340 0.042 0.000 0.223 175 Q C -0.672 175.452 176.000 0.205 0.000 0.828 175 Q CA -0.552 55.332 55.803 0.135 0.000 0.967 175 Q CB 1.446 30.290 28.738 0.177 0.000 1.139 175 Q HN -0.314 8.007 8.270 0.194 0.064 0.497 176 I N 0.565 121.253 120.570 0.198 0.000 2.321 176 I HA 0.073 4.384 4.170 0.236 0.000 0.291 176 I C -0.440 175.751 176.117 0.125 0.000 0.998 176 I CA -2.310 59.101 61.300 0.185 0.000 1.227 176 I CB -0.854 37.247 38.000 0.168 0.000 1.368 176 I HN -0.391 7.925 8.210 0.175 0.000 0.466 177 T N 2.613 117.237 114.554 0.116 0.000 2.910 177 T HA 0.365 4.753 4.350 0.063 0.000 0.279 177 T C 0.818 175.566 174.700 0.081 0.000 0.989 177 T CA -2.030 60.117 62.100 0.079 0.000 0.968 177 T CB 2.120 71.025 68.868 0.062 0.000 1.135 177 T HN -0.398 7.928 8.240 0.143 0.000 0.562 178 S N -2.486 113.248 115.700 0.055 0.000 2.603 178 S HA -0.184 4.325 4.470 0.064 0.000 0.229 178 S C 0.003 174.642 174.600 0.065 0.000 0.972 178 S CA 1.712 59.942 58.200 0.051 0.000 0.935 178 S CB -0.146 63.065 63.200 0.018 0.000 0.769 178 S HN 0.237 8.570 8.310 0.038 0.000 0.536 179 N N 0.417 119.168 118.700 0.086 0.000 2.279 179 N HA 0.114 4.919 4.740 0.108 0.000 0.226 179 N C -1.805 173.826 175.510 0.202 0.000 1.126 179 N CA -0.386 52.749 53.050 0.141 0.000 0.846 179 N CB 0.726 39.322 38.487 0.182 0.000 1.050 179 N HN -0.610 7.740 8.380 0.082 0.080 0.502 180 M N -1.296 118.408 119.600 0.173 0.000 2.593 180 M HA 0.869 5.627 4.480 0.096 -0.221 0.290 180 M C -2.394 174.021 176.300 0.192 0.000 1.244 180 M CA -0.411 54.968 55.300 0.131 0.000 0.857 180 M CB 5.199 37.853 32.600 0.090 0.000 1.738 180 M HN -0.784 7.506 8.290 0.153 0.092 0.461 181 F N -6.133 113.862 119.950 0.075 0.000 2.645 181 F HA 0.611 5.168 4.527 0.051 0.000 0.310 181 F C -2.762 173.090 175.800 0.087 0.000 1.102 181 F CA -1.738 56.303 58.000 0.068 0.000 0.952 181 F CB 2.292 41.330 39.000 0.062 0.000 1.326 181 F HN 0.172 8.315 8.300 -0.262 0.000 0.456 182 c N -0.065 118.693 118.600 0.264 0.000 2.391 182 c HA 0.998 5.806 4.570 0.054 -0.205 0.339 182 c C -1.016 173.262 174.090 0.313 0.000 1.205 182 c CA -0.934 55.500 56.329 0.175 0.000 1.937 182 c CB 2.600 45.185 42.510 0.126 0.000 2.341 182 c HN 0.904 9.329 8.230 0.324 0.000 0.516 183 A N 3.217 126.208 122.820 0.285 0.000 2.530 183 A HA 0.682 5.201 4.320 0.090 -0.145 0.279 183 A C -2.237 175.394 177.584 0.080 0.000 1.109 183 A CA -0.536 51.586 52.037 0.142 0.000 0.763 183 A CB 2.633 21.618 19.000 -0.024 0.000 1.257 183 A HN 0.506 8.856 8.150 0.334 0.000 0.424 184 Y N 2.855 123.189 120.300 0.056 0.000 2.365 184 Y HA 0.033 4.604 4.550 0.035 0.000 0.340 184 Y C 1.018 176.935 175.900 0.029 0.000 1.016 184 Y CA 0.019 58.142 58.100 0.038 0.000 1.196 184 Y CB 0.603 39.083 38.460 0.034 0.000 1.167 184 Y HN 0.277 8.690 8.280 0.221 0.000 0.509 185 L N 4.099 125.400 121.223 0.129 0.000 2.291 185 L HA -0.285 4.088 4.340 0.055 0.000 0.214 185 L C 1.103 178.019 176.870 0.077 0.000 1.120 185 L CA 2.128 57.011 54.840 0.072 0.000 0.799 185 L CB -0.382 41.699 42.059 0.037 0.000 0.925 185 L HN 0.523 8.817 8.230 0.107 0.000 0.446 186 E N -2.140 118.123 120.200 0.105 0.000 2.418 186 E HA -0.146 4.231 4.350 0.045 0.000 0.197 186 E C 0.785 177.418 176.600 0.056 0.000 1.026 186 E CA 0.372 56.812 56.400 0.066 0.000 0.862 186 E CB -0.485 29.249 29.700 0.057 0.000 0.799 186 E HN 0.120 8.540 8.360 0.154 0.033 0.518 187 G N 0.716 109.565 108.800 0.083 0.000 3.405 187 G HA2 -0.374 3.660 3.960 0.081 0.000 0.676 187 G HA3 -0.374 3.611 3.960 0.042 0.000 0.676 187 G C -0.849 174.073 174.900 0.035 0.000 1.039 187 G CA -0.204 44.934 45.100 0.063 0.000 0.855 187 G HN -0.641 7.567 8.290 0.131 0.161 0.443 188 K N 1.311 121.712 120.400 0.001 0.000 7.219 188 K HA -0.602 3.978 4.320 0.010 -0.254 0.683 188 K C -1.351 175.343 176.600 0.157 0.000 2.548 188 K CA 0.500 56.802 56.287 0.025 0.000 1.868 188 K CB -0.054 32.366 32.500 -0.133 0.000 1.932 188 K HN 0.222 8.497 8.250 0.042 0.000 0.297 189 D N 0.383 120.859 120.400 0.128 0.000 2.764 189 D HA 0.292 5.054 4.640 0.204 0.000 0.293 189 D C -1.898 174.472 176.300 0.117 0.000 1.287 189 D CA -0.587 53.502 54.000 0.150 0.000 0.768 189 D CB 4.375 45.246 40.800 0.118 0.000 1.288 189 D HN 0.185 8.606 8.370 0.085 0.000 0.426 190 S N -1.569 114.213 115.700 0.137 0.000 2.707 190 S HA 0.342 4.931 4.470 0.093 -0.064 0.276 190 S C -1.335 173.312 174.600 0.079 0.000 1.179 190 S CA -0.490 57.780 58.200 0.117 0.000 0.992 190 S CB 1.703 65.014 63.200 0.184 0.000 1.030 190 S HN 0.251 8.661 8.310 0.167 0.000 0.554 191 c N -1.761 116.889 118.600 0.082 0.000 3.293 191 c HA 0.250 4.861 4.570 0.069 0.000 0.362 191 c C -1.539 172.628 174.090 0.129 0.000 1.539 191 c CA -0.578 55.799 56.329 0.080 0.000 1.201 191 c CB 2.819 45.358 42.510 0.047 0.000 1.770 191 c HN 0.237 8.807 8.230 0.098 -0.281 0.440 192 Q N 1.731 121.620 119.800 0.148 0.000 2.333 192 Q HA -0.369 4.103 4.340 0.220 0.000 0.299 192 Q C 1.094 177.279 176.000 0.310 0.000 1.067 192 Q CA 2.208 58.143 55.803 0.221 0.000 0.943 192 Q CB 0.694 29.567 28.738 0.224 0.000 1.233 192 Q HN 0.478 8.817 8.270 0.115 0.000 0.401 193 G N 5.997 114.992 108.800 0.326 0.000 2.284 193 G HA2 -0.440 3.717 3.960 0.327 0.000 0.230 193 G HA3 -0.440 3.856 3.960 0.560 0.000 0.230 193 G C 0.623 175.753 174.900 0.383 0.000 1.021 193 G CA 1.138 46.482 45.100 0.408 0.000 0.619 193 G HN 0.512 8.974 8.290 0.286 0.000 0.510 194 D N 2.197 122.762 120.400 0.275 0.000 2.346 194 D HA 0.095 4.884 4.640 0.249 0.000 0.206 194 D C 0.067 176.469 176.300 0.170 0.000 1.001 194 D CA 0.873 55.002 54.000 0.215 0.000 0.871 194 D CB 0.568 41.460 40.800 0.153 0.000 0.943 194 D HN 0.054 8.468 8.370 0.248 0.105 0.518 195 S N -0.555 115.244 115.700 0.165 0.000 2.599 195 S HA -0.567 4.128 4.470 0.134 -0.146 0.303 195 S C 0.993 175.599 174.600 0.010 0.000 1.267 195 S CA 2.338 60.604 58.200 0.110 0.000 1.055 195 S CB -0.042 63.248 63.200 0.151 0.000 0.790 195 S HN -0.523 7.857 8.310 0.201 0.051 0.500 196 G N 4.684 113.477 108.800 -0.012 0.000 2.268 196 G HA2 -0.446 3.565 3.960 -0.036 0.000 0.240 196 G HA3 -0.446 3.591 3.960 -0.061 -0.114 0.240 196 G C -0.124 174.807 174.900 0.053 0.000 1.010 196 G CA 0.158 45.246 45.100 -0.020 0.000 0.618 196 G HN 0.797 9.096 8.290 0.015 0.000 0.516 197 G N 1.080 109.936 108.800 0.093 0.000 2.621 197 G HA2 0.351 4.454 3.960 0.123 0.000 0.271 197 G HA3 0.351 4.384 3.960 0.122 0.000 0.271 197 G C -2.646 172.336 174.900 0.136 0.000 1.236 197 G CA -1.926 43.246 45.100 0.121 0.000 0.958 197 G HN -0.207 7.964 8.290 0.099 0.178 0.512 198 P HA 0.324 4.941 4.420 0.129 -0.120 0.281 198 P C -1.614 175.752 177.300 0.110 0.000 1.249 198 P CA -0.864 62.327 63.100 0.151 0.000 0.810 198 P CB 1.589 33.440 31.700 0.251 0.000 1.008 199 V N 2.402 122.359 119.914 0.072 0.000 2.419 199 V HA 0.284 4.557 4.120 -0.013 -0.162 0.287 199 V C -1.042 175.061 176.094 0.015 0.000 1.017 199 V CA -0.428 61.877 62.300 0.008 0.000 0.844 199 V CB 1.688 33.486 31.823 -0.040 0.000 1.011 199 V HN -0.240 7.998 8.190 0.080 0.000 0.429 200 V N 8.470 128.386 119.914 0.002 0.000 2.435 200 V HA 0.604 4.872 4.120 -0.069 -0.189 0.290 200 V C -1.351 174.724 176.094 -0.033 0.000 1.030 200 V CA -1.191 61.083 62.300 -0.043 0.000 0.881 200 V CB 2.775 34.557 31.823 -0.069 0.000 0.983 200 V HN 0.632 8.838 8.190 0.026 0.000 0.445 201 c N 7.393 125.961 118.600 -0.054 0.000 2.431 201 c HA 0.571 5.119 4.570 -0.037 0.000 0.321 201 c C 0.215 174.275 174.090 -0.050 0.000 1.202 201 c CA -1.237 55.060 56.329 -0.054 0.000 1.398 201 c CB 2.096 44.554 42.510 -0.086 0.000 2.047 201 c HN 0.623 8.814 8.230 -0.065 0.000 0.465 202 S N 5.377 121.056 115.700 -0.035 0.000 3.549 202 S HA -0.348 4.111 4.470 -0.018 0.000 0.366 202 S C 0.310 174.890 174.600 -0.033 0.000 1.012 202 S CA 1.025 59.208 58.200 -0.029 0.000 1.141 202 S CB -1.177 62.002 63.200 -0.035 0.000 0.910 202 S HN 1.140 9.434 8.310 -0.026 0.000 0.471 203 G N -5.451 103.328 108.800 -0.035 0.000 2.155 203 G HA2 -0.365 3.562 3.960 -0.055 0.000 0.257 203 G HA3 -0.365 3.574 3.960 -0.034 0.000 0.257 203 G C -0.759 174.090 174.900 -0.084 0.000 0.983 203 G CA 0.474 45.543 45.100 -0.052 0.000 0.676 203 G HN 0.304 8.567 8.290 -0.027 0.011 0.528 210 Q N 1.154 120.969 119.800 0.025 0.000 2.373 210 Q HA 0.178 4.548 4.340 0.050 0.000 0.210 210 Q C -0.166 175.984 176.000 0.249 0.000 0.913 210 Q CA 0.264 56.101 55.803 0.056 0.000 0.911 210 Q CB 2.484 31.171 28.738 -0.084 0.000 1.040 210 Q HN 0.249 8.522 8.270 0.006 0.000 0.521 211 G N -3.261 105.709 108.800 0.285 0.000 2.694 211 G HA2 0.626 5.093 3.960 0.433 0.000 0.290 211 G HA3 0.626 4.868 3.960 0.470 0.000 0.290 211 G C -3.233 171.792 174.900 0.208 0.000 1.386 211 G CA -0.792 44.529 45.100 0.368 0.000 0.872 211 G HN -0.353 8.040 8.290 0.171 0.000 0.475 212 I N -1.255 119.433 120.570 0.197 0.000 2.498 212 I HA 0.540 5.016 4.170 0.157 -0.212 0.290 212 I C -0.444 175.803 176.117 0.216 0.000 1.032 212 I CA -1.386 60.011 61.300 0.161 0.000 1.073 212 I CB 4.261 42.314 38.000 0.088 0.000 1.251 212 I HN -0.396 7.926 8.210 0.186 0.000 0.426 213 V N 7.259 127.315 119.914 0.236 0.000 2.458 213 V HA -0.225 3.985 4.120 0.151 0.000 0.287 213 V C -1.197 174.917 176.094 0.033 0.000 1.009 213 V CA 2.134 64.531 62.300 0.161 0.000 1.091 213 V CB -1.115 30.819 31.823 0.184 0.000 0.960 213 V HN 0.334 8.646 8.190 0.202 0.000 0.476 214 S N 7.405 123.030 115.700 -0.126 0.000 3.200 214 S HA 0.414 5.054 4.470 0.284 0.000 0.209 214 S C -1.368 173.338 174.600 0.176 0.000 0.869 214 S CA 1.105 59.370 58.200 0.108 0.000 0.820 214 S CB 2.132 65.390 63.200 0.096 0.000 0.834 214 S HN -0.158 7.866 8.310 -0.476 0.000 0.622 215 W N -4.174 116.978 121.300 -0.247 0.000 2.940 215 W HA 0.265 4.829 4.660 -0.159 0.000 0.394 215 W C -2.710 173.641 176.519 -0.280 0.000 1.155 215 W CA -0.735 56.474 57.345 -0.228 0.000 1.165 215 W CB 1.475 30.797 29.460 -0.230 0.000 1.492 215 W HN -0.262 7.601 8.180 -0.529 0.000 0.593 216 G N -3.321 105.512 108.800 0.056 0.000 2.368 216 G HA2 0.075 3.723 3.960 -0.519 0.000 0.293 216 G HA3 0.075 3.951 3.960 -0.139 0.000 0.293 216 G C -2.395 172.635 174.900 0.217 0.000 1.467 216 G CA 0.250 45.286 45.100 -0.107 0.000 0.804 216 G HN -0.050 8.459 8.290 0.365 0.000 0.535 220 c N 1.947 120.582 118.600 0.059 0.000 3.359 220 c HA 0.303 5.047 4.570 0.058 -0.139 0.194 220 c C -1.508 172.611 174.090 0.049 0.000 1.659 220 c CA -0.817 55.544 56.329 0.053 0.000 1.338 220 c CB -1.331 41.204 42.510 0.041 0.000 2.109 220 c HN 0.326 8.587 8.230 0.052 0.000 0.518 221 Q N -2.032 117.799 119.800 0.052 0.000 2.889 221 Q HA 0.141 4.500 4.340 0.032 0.000 0.262 221 Q C -1.563 174.457 176.000 0.034 0.000 0.966 221 Q CA -0.757 55.069 55.803 0.039 0.000 0.858 221 Q CB 2.199 30.960 28.738 0.040 0.000 1.845 221 Q HN 0.016 8.323 8.270 0.061 0.000 0.464 222 K N 3.591 124.005 120.400 0.023 0.000 2.436 222 K HA -0.233 4.235 4.320 0.031 -0.129 0.275 222 K C 0.324 176.922 176.600 -0.004 0.000 0.999 222 K CA 0.666 56.963 56.287 0.017 0.000 0.980 222 K CB 0.101 32.608 32.500 0.011 0.000 0.919 222 K HN 0.244 8.505 8.250 0.020 0.000 0.484 223 N N 1.991 120.686 118.700 -0.009 0.000 2.678 223 N HA -0.479 4.237 4.740 -0.039 0.000 0.250 223 N C -1.635 173.804 175.510 -0.118 0.000 1.136 223 N CA 1.809 54.828 53.050 -0.053 0.000 0.757 223 N CB -0.492 37.958 38.487 -0.060 0.000 1.135 223 N HN 0.765 9.034 8.380 0.012 0.119 0.565 224 K N -2.605 117.753 120.400 -0.069 0.000 2.842 224 K HA 0.540 4.657 4.320 -0.339 0.000 0.176 224 K C -2.357 174.287 176.600 0.073 0.000 1.080 224 K CA -3.472 52.765 56.287 -0.083 0.000 0.954 224 K CB -0.140 32.365 32.500 0.008 0.000 1.203 224 K HN -0.748 7.446 8.250 -0.011 0.049 0.611 225 P HA -0.062 4.419 4.420 0.103 0.000 0.274 225 P C -0.482 176.865 177.300 0.078 0.000 1.260 225 P CA -0.375 62.791 63.100 0.110 0.000 0.793 225 P CB 1.108 32.864 31.700 0.093 0.000 1.048 226 G N -2.430 106.381 108.800 0.019 0.000 2.476 226 G HA2 0.326 4.074 3.960 -0.354 0.000 0.269 226 G HA3 0.326 4.146 3.960 -0.235 0.000 0.269 226 G C -1.801 172.774 174.900 -0.541 0.000 1.195 226 G CA -0.716 44.216 45.100 -0.280 0.000 0.843 226 G HN -0.385 7.977 8.290 0.119 0.000 0.545 227 V N 1.898 121.153 119.914 -1.098 0.000 2.495 227 V HA 0.646 4.524 4.120 -0.693 -0.174 0.298 227 V C -1.016 174.305 176.094 -1.288 0.000 1.031 227 V CA -1.028 60.588 62.300 -1.140 0.000 0.871 227 V CB 2.239 32.957 31.823 -1.841 0.000 0.988 227 V HN 0.449 7.943 8.190 -1.160 0.000 0.432 228 Y N 5.164 125.043 120.300 -0.703 0.000 2.485 228 Y HA 0.557 5.009 4.550 -0.390 -0.135 0.345 228 Y C 0.278 175.889 175.900 -0.482 0.000 0.998 228 Y CA -2.222 55.478 58.100 -0.666 0.000 1.059 228 Y CB 3.712 41.491 38.460 -1.136 0.000 1.234 228 Y HN 1.035 8.926 8.280 -0.650 0.000 0.461 229 T N 5.057 119.581 114.554 -0.051 0.000 2.870 229 T HA 0.003 4.575 4.350 0.107 -0.158 0.300 229 T C -0.625 174.214 174.700 0.231 0.000 0.989 229 T CA 1.527 63.679 62.100 0.087 0.000 1.139 229 T CB 0.449 69.347 68.868 0.050 0.000 0.920 229 T HN 0.415 8.654 8.240 -0.002 0.000 0.537 230 K N 8.388 129.009 120.400 0.368 0.000 2.171 230 K HA 0.057 4.805 4.320 0.713 0.000 0.274 230 K C 0.992 177.851 176.600 0.432 0.000 1.110 230 K CA -0.369 56.213 56.287 0.491 0.000 0.952 230 K CB -0.372 32.363 32.500 0.392 0.000 1.309 230 K HN 0.216 8.557 8.250 0.331 0.108 0.414 231 V N 6.230 126.375 119.914 0.385 0.000 2.469 231 V HA -0.521 3.892 4.120 0.489 0.000 0.251 231 V C 1.412 177.669 176.094 0.272 0.000 1.064 231 V CA 3.907 66.419 62.300 0.353 0.000 1.066 231 V CB -0.291 31.667 31.823 0.225 0.000 0.667 231 V HN 0.283 8.710 8.190 0.395 0.000 0.461 232 c N -3.341 115.355 118.600 0.160 0.000 2.409 232 c HA -0.229 4.387 4.570 0.076 0.000 0.284 232 c C 1.737 175.850 174.090 0.038 0.000 1.354 232 c CA 1.746 58.121 56.329 0.077 0.000 1.787 232 c CB -2.109 40.415 42.510 0.023 0.000 1.900 232 c HN 0.470 8.775 8.230 0.155 0.018 0.520 233 N N 0.915 119.607 118.700 -0.014 0.000 2.494 233 N HA -0.101 4.541 4.740 -0.163 0.000 0.182 233 N C 0.364 175.640 175.510 -0.391 0.000 1.076 233 N CA 1.298 54.193 53.050 -0.257 0.000 0.908 233 N CB -0.156 38.035 38.487 -0.493 0.000 0.967 233 N HN -0.353 8.031 8.380 0.072 0.040 0.449 234 Y N -4.715 115.656 120.300 0.117 0.000 2.531 234 Y HA 0.161 4.851 4.550 0.234 0.000 0.249 234 Y C 0.083 176.121 175.900 0.229 0.000 1.168 234 Y CA -0.562 57.664 58.100 0.210 0.000 1.226 234 Y CB -0.066 38.535 38.460 0.236 0.000 1.177 234 Y HN -0.136 8.078 8.280 0.201 0.188 0.527 235 V N 0.990 121.043 119.914 0.232 0.000 2.332 235 V HA -0.571 3.643 4.120 0.157 0.000 0.248 235 V C 1.364 177.529 176.094 0.119 0.000 1.055 235 V CA 4.968 67.358 62.300 0.151 0.000 1.038 235 V CB -0.596 31.277 31.823 0.084 0.000 0.651 235 V HN -0.803 7.487 8.190 0.167 0.000 0.450 236 S N -0.224 115.547 115.700 0.118 0.000 2.383 236 S HA -0.322 4.167 4.470 0.032 0.000 0.227 236 S C 1.786 176.453 174.600 0.111 0.000 1.026 236 S CA 3.064 61.313 58.200 0.082 0.000 0.981 236 S CB -0.435 62.811 63.200 0.077 0.000 0.818 236 S HN 0.100 8.479 8.310 0.116 0.000 0.472 237 W N 4.175 125.510 121.300 0.059 0.000 2.355 237 W HA -0.189 4.494 4.660 0.038 0.000 0.309 237 W C 1.627 178.159 176.519 0.022 0.000 1.206 237 W CA 3.094 60.484 57.345 0.075 0.000 1.284 237 W CB -0.045 29.545 29.460 0.216 0.000 1.145 237 W HN -0.390 8.015 8.180 0.375 0.000 0.502 238 I N -0.805 119.770 120.570 0.009 0.000 2.142 238 I HA -0.757 3.022 4.170 -0.652 0.000 0.240 238 I C 1.828 177.715 176.117 -0.383 0.000 1.078 238 I CA 4.526 65.650 61.300 -0.293 0.000 1.343 238 I CB -0.241 37.745 38.000 -0.023 0.000 1.046 238 I HN 0.384 8.791 8.210 0.328 0.000 0.405 239 K N -0.810 119.462 120.400 -0.215 0.000 2.032 239 K HA -0.437 3.734 4.320 -0.250 0.000 0.209 239 K C 2.732 179.178 176.600 -0.255 0.000 1.048 239 K CA 3.857 60.015 56.287 -0.214 0.000 0.927 239 K CB -0.363 32.071 32.500 -0.110 0.000 0.712 239 K HN -0.121 8.068 8.250 -0.101 0.000 0.441 240 Q N -2.099 117.562 119.800 -0.232 0.000 2.079 240 Q HA -0.292 3.951 4.340 -0.162 0.000 0.200 240 Q C 2.679 178.487 176.000 -0.321 0.000 0.974 240 Q CA 3.429 59.102 55.803 -0.216 0.000 0.840 240 Q CB 0.052 28.707 28.738 -0.138 0.000 0.898 240 Q HN 0.251 8.409 8.270 -0.187 0.000 0.430 241 T N 2.618 116.852 114.554 -0.533 0.000 2.777 241 T HA -0.258 3.846 4.350 -0.410 0.000 0.266 241 T C 2.328 176.700 174.700 -0.546 0.000 1.040 241 T CA 4.918 66.663 62.100 -0.592 0.000 1.141 241 T CB -0.168 68.075 68.868 -1.040 0.000 0.868 241 T HN -0.012 7.839 8.240 -0.649 0.000 0.444 242 I N 1.132 121.272 120.570 -0.717 0.000 2.202 242 I HA -0.455 2.941 4.170 -1.289 0.000 0.242 242 I C 1.752 177.646 176.117 -0.372 0.000 1.091 242 I CA 3.823 64.591 61.300 -0.886 0.000 1.368 242 I CB -0.398 37.002 38.000 -1.001 0.000 1.058 242 I HN 0.092 7.881 8.210 -0.701 0.000 0.410 243 A N -0.559 122.095 122.820 -0.276 0.000 2.019 243 A HA -0.219 4.042 4.320 -0.098 0.000 0.219 243 A C 1.362 178.896 177.584 -0.083 0.000 1.164 243 A CA 2.783 54.739 52.037 -0.136 0.000 0.644 243 A CB -0.496 18.432 19.000 -0.119 0.000 0.805 243 A HN 0.145 8.102 8.150 -0.321 0.000 0.449 244 S N -4.713 110.926 115.700 -0.102 0.000 2.577 244 S HA 0.084 4.539 4.470 -0.025 0.000 0.219 244 S C -0.642 173.962 174.600 0.007 0.000 0.962 244 S CA 0.715 58.888 58.200 -0.045 0.000 0.921 244 S CB 0.968 64.131 63.200 -0.060 0.000 0.789 244 S HN -0.362 7.723 8.310 -0.168 0.123 0.497 245 N N 0.000 118.733 118.700 0.055 0.000 1.763 245 N HA 0.000 4.814 4.740 0.123 0.000 0.220 245 N CA 0.000 53.160 53.050 0.184 0.000 0.885 245 N CB 0.000 38.675 38.487 0.314 0.000 1.341 245 N HN 0.000 8.222 8.380 0.016 0.168 0.667