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 1c2f_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQV DATA SEQUENCE RLXGEDNINV 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 4.176 4.170 0.010 0.000 0.288 16 I C 0.000 176.098 176.117 -0.031 0.000 1.063 16 I CA 0.000 61.287 61.300 -0.022 0.000 1.566 16 I CB 0.000 37.957 38.000 -0.071 0.000 1.214 17 V N 4.860 124.769 119.914 -0.009 0.000 2.459 17 V HA 0.264 4.369 4.120 -0.025 0.000 0.295 17 V C 0.526 176.619 176.094 -0.003 0.000 1.029 17 V CA -1.712 60.582 62.300 -0.011 0.000 0.874 17 V CB 1.449 33.273 31.823 0.000 0.000 0.985 17 V HN 0.864 9.062 8.190 0.014 0.000 0.438 18 G N 6.941 115.734 108.800 -0.010 0.000 2.221 18 G HA2 -0.398 3.558 3.960 -0.007 0.000 0.265 18 G HA3 -0.398 3.679 3.960 -0.020 -0.128 0.265 18 G C -0.690 174.215 174.900 0.008 0.000 1.041 18 G CA 0.538 45.633 45.100 -0.009 0.000 0.807 18 G HN 0.796 9.077 8.290 -0.015 0.000 0.502 19 G N -1.366 107.430 108.800 -0.007 0.000 2.702 19 G HA2 0.549 4.510 3.960 0.029 0.000 0.254 19 G HA3 0.549 4.528 3.960 -0.138 -0.101 0.254 19 G C -1.721 173.199 174.900 0.034 0.000 1.380 19 G CA -1.089 43.991 45.100 -0.034 0.000 1.042 19 G HN -0.617 7.639 8.290 -0.023 0.020 0.557 20 Y N -6.212 114.067 120.300 -0.035 0.000 2.669 20 Y HA 0.383 4.915 4.550 -0.031 0.000 0.335 20 Y C -1.943 173.930 175.900 -0.046 0.000 1.116 20 Y CA -2.690 55.389 58.100 -0.035 0.000 1.081 20 Y CB 1.083 39.525 38.460 -0.030 0.000 1.297 20 Y HN 0.253 8.130 8.280 -0.671 0.000 0.484 21 T N 2.561 117.200 114.554 0.142 0.000 2.752 21 T HA 0.072 4.523 4.350 -0.072 -0.144 0.295 21 T C 0.337 175.108 174.700 0.119 0.000 0.923 21 T CA 1.397 63.520 62.100 0.038 0.000 1.112 21 T CB -0.224 68.677 68.868 0.054 0.000 0.884 21 T HN 0.174 8.543 8.240 0.215 0.000 0.525 22 c N 6.992 125.562 118.600 -0.049 0.000 2.413 22 c HA -0.176 4.484 4.570 0.151 0.000 0.277 22 c C 0.214 174.343 174.090 0.064 0.000 1.228 22 c CA 1.146 57.481 56.329 0.010 0.000 1.731 22 c CB -0.557 41.873 42.510 -0.134 0.000 2.042 22 c HN 0.517 8.647 8.230 -0.166 0.000 0.468 23 G N -2.813 105.995 108.800 0.014 0.000 2.465 23 G HA2 -0.217 3.759 3.960 0.026 0.000 0.681 23 G HA3 -0.217 3.760 3.960 0.028 0.000 0.681 23 G C -2.195 172.705 174.900 0.000 0.000 1.340 23 G CA -0.722 44.390 45.100 0.020 0.000 0.884 23 G HN -0.667 7.609 8.290 -0.023 0.000 0.650 24 A N 1.540 124.368 122.820 0.013 0.000 2.524 24 A HA -0.180 4.390 4.320 0.026 -0.234 0.250 24 A C -0.155 177.432 177.584 0.006 0.000 1.078 24 A CA 0.821 52.869 52.037 0.018 0.000 0.761 24 A CB 0.054 19.071 19.000 0.028 0.000 1.012 24 A HN 0.223 8.384 8.150 0.019 0.000 0.500 25 N N -1.813 116.888 118.700 0.001 0.000 2.727 25 N HA -0.376 4.350 4.740 -0.022 0.000 0.249 25 N C 0.170 175.656 175.510 -0.040 0.000 1.048 25 N CA 1.370 54.410 53.050 -0.017 0.000 0.714 25 N CB -1.223 37.265 38.487 0.001 0.000 0.959 25 N HN 0.527 8.915 8.380 0.014 0.000 0.544 26 T N -4.156 110.363 114.554 -0.058 0.000 3.081 26 T HA 0.018 4.351 4.350 -0.028 0.000 0.250 26 T C -0.372 174.263 174.700 -0.108 0.000 1.100 26 T CA 1.001 63.071 62.100 -0.051 0.000 1.038 26 T CB 0.798 69.655 68.868 -0.019 0.000 0.962 26 T HN -0.527 7.675 8.240 -0.063 0.000 0.516 27 V N 2.390 122.178 119.914 -0.210 0.000 2.326 27 V HA 0.364 4.192 4.120 -0.486 0.000 0.254 27 V C -1.203 174.549 176.094 -0.570 0.000 1.022 27 V CA -3.592 58.421 62.300 -0.477 0.000 1.074 27 V CB 0.520 32.069 31.823 -0.458 0.000 1.305 27 V HN -0.397 7.630 8.190 -0.176 0.058 0.506 28 P HA -0.006 4.462 4.420 -0.107 -0.112 0.228 28 P C 0.158 177.397 177.300 -0.102 0.000 1.151 28 P CA 1.723 64.731 63.100 -0.153 0.000 0.770 28 P CB 0.029 31.711 31.700 -0.030 0.000 0.786 29 Y N -5.841 114.486 120.300 0.044 0.000 2.466 29 Y HA 0.548 5.300 4.550 0.057 -0.168 0.272 29 Y C -0.503 175.437 175.900 0.066 0.000 1.169 29 Y CA -3.610 54.522 58.100 0.053 0.000 1.285 29 Y CB -1.350 37.137 38.460 0.045 0.000 1.078 29 Y HN -0.422 7.230 8.280 -0.940 0.064 0.523 30 Q N 2.725 122.436 119.800 -0.148 0.000 2.332 30 Q HA 0.265 4.834 4.340 0.157 -0.135 0.263 30 Q C -0.328 175.768 176.000 0.159 0.000 0.979 30 Q CA 0.147 55.966 55.803 0.027 0.000 0.885 30 Q CB 1.329 29.976 28.738 -0.151 0.000 1.218 30 Q HN -0.470 7.465 8.270 -0.458 0.060 0.405 31 V N 0.769 120.813 119.914 0.216 0.000 3.001 31 V HA 0.830 5.203 4.120 0.197 -0.135 0.314 31 V C -1.864 174.386 176.094 0.260 0.000 1.099 31 V CA -2.994 59.426 62.300 0.200 0.000 0.989 31 V CB 4.018 35.910 31.823 0.114 0.000 1.040 31 V HN 0.480 8.797 8.190 0.212 0.000 0.434 32 S N 1.206 116.970 115.700 0.106 0.000 2.519 32 S HA 0.455 5.163 4.470 0.190 -0.124 0.309 32 S C -1.147 173.357 174.600 -0.159 0.000 1.100 32 S CA -2.108 56.093 58.200 0.002 0.000 1.059 32 S CB 1.619 64.606 63.200 -0.354 0.000 1.008 32 S HN -0.180 8.160 8.310 0.049 0.000 0.478 33 L N 7.168 128.175 121.223 -0.361 0.000 2.289 33 L HA 0.494 4.772 4.340 -0.304 -0.121 0.285 33 L C -1.493 175.007 176.870 -0.618 0.000 1.049 33 L CA -0.753 53.755 54.840 -0.553 0.000 0.804 33 L CB 0.954 42.434 42.059 -0.966 0.000 1.195 33 L HN 0.947 8.826 8.230 -0.409 0.106 0.428 38 G N 0.289 108.858 108.800 -0.385 0.000 2.184 38 G HA2 -0.272 3.619 3.960 -0.115 0.000 0.206 38 G HA3 -0.272 3.655 3.960 -0.055 0.000 0.206 38 G C -1.693 173.186 174.900 -0.035 0.000 0.995 38 G CA 0.307 45.305 45.100 -0.169 0.000 0.651 38 G HN 0.248 8.632 8.290 -0.321 -0.286 0.511 39 Y N -7.293 112.982 120.300 -0.041 0.000 2.717 39 Y HA 0.163 4.673 4.550 -0.067 0.000 0.345 39 Y C -2.420 173.489 175.900 0.016 0.000 1.187 39 Y CA -3.242 54.836 58.100 -0.036 0.000 1.128 39 Y CB 0.407 38.844 38.460 -0.038 0.000 1.360 39 Y HN -1.186 6.753 8.280 -0.693 -0.074 0.467 40 H N 2.613 121.660 119.070 -0.038 0.000 2.803 40 H HA 0.062 4.665 4.556 -0.253 -0.199 0.330 40 H C -0.359 175.028 175.328 0.098 0.000 1.057 40 H CA -0.044 55.930 56.048 -0.125 0.000 1.458 40 H CB 0.489 30.123 29.762 -0.214 0.000 1.470 40 H HN 0.297 8.676 8.280 0.164 0.000 0.560 41 F N 2.197 121.756 119.950 -0.652 0.000 2.856 41 F HA 0.287 4.718 4.527 -0.161 0.000 0.338 41 F C -2.135 173.415 175.800 -0.416 0.000 1.005 41 F CA -1.071 56.721 58.000 -0.346 0.000 1.155 41 F CB 1.453 40.367 39.000 -0.143 0.000 1.010 41 F HN 0.028 7.681 8.300 -1.077 0.000 0.587 42 c N -2.099 115.786 118.600 -1.191 0.000 3.320 42 c HA 0.420 4.839 4.570 -0.250 0.000 0.335 42 c C -1.536 172.327 174.090 -0.378 0.000 1.430 42 c CA -0.329 55.644 56.329 -0.593 0.000 1.271 42 c CB 4.094 46.313 42.510 -0.485 0.000 1.609 42 c HN -0.817 6.431 8.230 -1.637 0.000 0.457 43 G N -1.122 107.657 108.800 -0.034 0.000 2.667 43 G HA2 0.831 5.105 3.960 0.237 0.000 0.310 43 G HA3 0.831 4.933 3.960 0.237 0.000 0.310 43 G C -2.608 172.325 174.900 0.055 0.000 1.259 43 G CA -1.709 43.480 45.100 0.149 0.000 1.019 43 G HN 0.707 8.982 8.290 -0.025 0.000 0.496 44 G N -3.927 104.941 108.800 0.114 0.000 2.495 44 G HA2 0.527 4.748 3.960 0.085 0.000 0.294 44 G HA3 0.527 4.524 3.960 0.062 0.000 0.294 44 G C -3.011 171.979 174.900 0.150 0.000 1.397 44 G CA 0.320 45.477 45.100 0.095 0.000 0.790 44 G HN -0.489 7.906 8.290 0.176 0.000 0.486 45 S N -0.524 115.265 115.700 0.149 0.000 2.521 45 S HA 0.845 5.675 4.470 0.268 -0.200 0.295 45 S C -1.328 173.370 174.600 0.163 0.000 1.098 45 S CA -0.879 57.437 58.200 0.194 0.000 0.999 45 S CB 3.655 66.946 63.200 0.151 0.000 1.034 45 S HN 0.238 8.621 8.310 0.122 0.000 0.483 46 L N 5.815 127.151 121.223 0.188 0.000 2.319 46 L HA 0.180 4.715 4.340 0.141 -0.111 0.280 46 L C -0.586 176.363 176.870 0.132 0.000 1.099 46 L CA -0.197 54.734 54.840 0.152 0.000 0.828 46 L CB 1.276 43.424 42.059 0.148 0.000 1.150 46 L HN 0.492 8.872 8.230 0.250 0.000 0.442 47 I N -0.363 120.283 120.570 0.126 0.000 3.941 47 I HA 0.402 4.752 4.170 0.063 -0.143 0.321 47 I C -0.822 175.350 176.117 0.092 0.000 1.284 47 I CA -0.357 60.997 61.300 0.089 0.000 1.226 47 I CB 0.549 38.590 38.000 0.070 0.000 1.045 47 I HN 0.459 8.762 8.210 0.154 0.000 0.420 48 N N -2.171 116.603 118.700 0.124 0.000 3.348 48 N HA 0.038 4.830 4.740 0.088 0.000 0.233 48 N C -0.639 174.940 175.510 0.116 0.000 1.440 48 N CA -0.374 52.744 53.050 0.114 0.000 0.887 48 N CB 1.010 39.571 38.487 0.124 0.000 1.410 48 N HN -0.894 7.572 8.380 0.145 0.000 0.502 49 S N -1.719 114.034 115.700 0.088 0.000 2.440 49 S HA -0.387 4.114 4.470 0.052 0.000 0.240 49 S C 0.990 175.610 174.600 0.033 0.000 1.014 49 S CA 2.747 60.981 58.200 0.057 0.000 0.980 49 S CB 0.119 63.344 63.200 0.043 0.000 0.775 49 S HN 0.474 8.832 8.310 0.080 0.000 0.499 50 Q N -2.503 117.324 119.800 0.045 0.000 2.280 50 Q HA 0.231 4.490 4.340 -0.134 0.000 0.228 50 Q C -1.023 174.820 176.000 -0.262 0.000 0.857 50 Q CA 0.363 56.100 55.803 -0.110 0.000 0.939 50 Q CB 1.364 30.015 28.738 -0.146 0.000 1.114 50 Q HN 0.027 8.322 8.270 0.120 0.047 0.514 51 W N -2.337 118.965 121.300 0.002 0.000 2.844 51 W HA 0.566 5.388 4.660 -0.003 -0.164 0.340 51 W C -1.523 175.002 176.519 0.010 0.000 1.093 51 W CA -0.828 56.515 57.345 -0.003 0.000 1.212 51 W CB 3.762 33.208 29.460 -0.024 0.000 1.422 51 W HN -0.607 7.713 8.180 0.235 0.000 0.515 52 V N 1.369 121.445 119.914 0.270 0.000 2.735 52 V HA 0.812 5.204 4.120 0.165 -0.173 0.310 52 V C -1.469 174.735 176.094 0.184 0.000 1.061 52 V CA -1.862 60.545 62.300 0.178 0.000 0.913 52 V CB 4.015 35.903 31.823 0.108 0.000 1.005 52 V HN 0.853 9.224 8.190 0.301 0.000 0.428 53 V N 1.765 121.762 119.914 0.138 0.000 2.581 53 V HA 0.973 5.330 4.120 0.137 -0.155 0.303 53 V C -1.610 174.542 176.094 0.097 0.000 1.041 53 V CA -2.679 59.693 62.300 0.119 0.000 0.907 53 V CB 1.867 33.749 31.823 0.098 0.000 0.994 53 V HN 0.400 8.667 8.190 0.128 0.000 0.442 54 S N 3.948 119.696 115.700 0.081 0.000 2.880 54 S HA 0.518 5.203 4.470 0.049 -0.186 0.308 54 S C -1.854 172.755 174.600 0.014 0.000 1.195 54 S CA -2.211 56.013 58.200 0.041 0.000 0.866 54 S CB 2.177 65.385 63.200 0.014 0.000 1.254 54 S HN 0.740 9.005 8.310 0.095 0.102 0.571 55 A N -0.591 122.202 122.820 -0.045 0.000 2.303 55 A HA 0.490 4.945 4.320 -0.048 -0.164 0.317 55 A C 0.387 177.874 177.584 -0.160 0.000 1.149 55 A CA -1.622 50.359 52.037 -0.093 0.000 0.822 55 A CB 1.633 20.544 19.000 -0.149 0.000 1.131 55 A HN 0.286 8.395 8.150 -0.068 0.000 0.493 56 A N 4.241 126.916 122.820 -0.241 0.000 2.067 56 A HA -0.194 4.006 4.320 -0.201 0.000 0.219 56 A C 1.173 178.559 177.584 -0.329 0.000 1.158 56 A CA 2.562 54.348 52.037 -0.418 0.000 0.661 56 A CB -0.198 18.188 19.000 -1.024 0.000 0.801 56 A HN 0.591 8.637 8.150 -0.218 -0.027 0.452 57 H N -5.162 113.795 119.070 -0.189 0.000 2.556 57 H HA -0.029 4.586 4.556 0.098 0.000 0.268 57 H C -0.131 175.264 175.328 0.112 0.000 0.996 57 H CA 1.079 57.157 56.048 0.052 0.000 1.157 57 H CB -1.371 28.482 29.762 0.151 0.000 1.355 57 H HN -0.111 8.335 8.280 -0.126 -0.241 0.597 58 c N -1.490 117.006 118.600 -0.173 0.000 2.855 58 c HA 0.068 4.694 4.570 0.093 0.000 0.279 58 c C -1.134 173.043 174.090 0.146 0.000 1.270 58 c CA 0.036 56.372 56.329 0.011 0.000 1.702 58 c CB -1.578 40.905 42.510 -0.045 0.000 1.949 58 c HN -0.627 7.269 8.230 -0.220 0.202 0.618 59 Y N 2.029 122.328 120.300 -0.001 0.000 2.610 59 Y HA -0.219 4.350 4.550 0.032 0.000 0.332 59 Y C -0.921 174.964 175.900 -0.024 0.000 1.201 59 Y CA 1.497 59.600 58.100 0.006 0.000 1.465 59 Y CB 0.619 39.067 38.460 -0.020 0.000 1.283 59 Y HN -0.528 7.648 8.280 0.150 0.195 0.563 60 K N 5.702 125.464 120.400 -1.063 0.000 2.615 60 K HA 0.216 4.026 4.320 -0.850 0.000 0.291 60 K C -2.455 173.640 176.600 -0.842 0.000 1.017 60 K CA -1.352 54.404 56.287 -0.886 0.000 0.882 60 K CB 3.777 35.884 32.500 -0.655 0.000 1.522 60 K HN 0.118 7.762 8.250 -1.010 0.000 0.412 61 S N -0.818 114.576 115.700 -0.511 0.000 2.593 61 S HA 0.236 4.560 4.470 -0.242 0.000 0.297 61 S C 0.878 175.352 174.600 -0.210 0.000 1.112 61 S CA -0.781 57.255 58.200 -0.274 0.000 1.043 61 S CB 1.004 64.115 63.200 -0.148 0.000 1.054 61 S HN -0.112 7.933 8.310 -0.442 0.000 0.516 62 G N 2.047 110.766 108.800 -0.135 0.000 2.256 62 G HA2 -0.251 3.656 3.960 -0.087 0.000 0.272 62 G HA3 -0.251 3.632 3.960 -0.128 0.000 0.272 62 G C -1.289 173.541 174.900 -0.116 0.000 1.076 62 G CA 0.131 45.161 45.100 -0.117 0.000 0.882 62 G HN 0.362 8.590 8.290 -0.103 0.000 0.497 63 I N -0.802 119.719 120.570 -0.082 0.000 2.353 63 I HA 0.048 4.222 4.170 0.007 0.000 0.293 63 I C -1.988 174.104 176.117 -0.041 0.000 0.992 63 I CA -0.877 60.410 61.300 -0.021 0.000 1.268 63 I CB 1.153 39.175 38.000 0.036 0.000 1.387 63 I HN -0.477 7.685 8.210 -0.080 0.000 0.478 64 Q N 6.576 126.341 119.800 -0.058 0.000 2.333 64 Q HA 0.439 4.836 4.340 -0.056 -0.091 0.267 64 Q C -1.664 174.281 176.000 -0.092 0.000 1.012 64 Q CA -1.417 54.339 55.803 -0.079 0.000 0.824 64 Q CB 3.771 32.437 28.738 -0.121 0.000 1.290 64 Q HN 0.411 8.649 8.270 -0.053 0.000 0.449 65 V N 6.925 126.805 119.914 -0.056 0.000 2.439 65 V HA 0.256 4.460 4.120 -0.077 -0.130 0.282 65 V C -1.134 174.960 176.094 0.000 0.000 1.039 65 V CA -0.140 62.135 62.300 -0.041 0.000 0.913 65 V CB 1.038 32.853 31.823 -0.014 0.000 0.983 65 V HN 1.121 9.185 8.190 -0.035 0.105 0.460 66 R N 6.153 126.648 120.500 -0.009 0.000 2.388 66 R HA 0.659 5.365 4.340 0.299 -0.186 0.314 66 R C -0.938 175.437 176.300 0.124 0.000 0.959 66 R CA -1.243 54.919 56.100 0.103 0.000 0.851 66 R CB 1.425 31.663 30.300 -0.103 0.000 1.168 66 R HN 0.480 8.720 8.270 -0.050 0.000 0.472 70 E N -1.265 119.037 120.200 0.170 0.000 2.283 70 E HA 0.140 4.582 4.350 0.153 0.000 0.267 70 E C -1.915 174.879 176.600 0.324 0.000 1.045 70 E CA 0.095 56.620 56.400 0.209 0.000 0.884 70 E CB 1.746 31.516 29.700 0.116 0.000 1.106 70 E HN -0.626 7.815 8.360 0.190 0.033 0.408 71 D N 0.393 120.973 120.400 0.300 0.000 2.887 71 D HA 0.032 4.879 4.640 0.346 0.000 0.162 71 D C -1.182 175.338 176.300 0.366 0.000 1.495 71 D CA 1.162 55.343 54.000 0.302 0.000 1.531 71 D CB 2.455 43.341 40.800 0.143 0.000 1.459 71 D HN 0.096 8.591 8.370 0.208 0.000 0.256 72 N N 1.123 119.941 118.700 0.196 0.000 2.420 72 N HA 0.368 5.382 4.740 0.210 -0.147 0.249 72 N C 2.024 177.558 175.510 0.041 0.000 1.033 72 N CA -1.104 52.034 53.050 0.146 0.000 0.944 72 N CB 0.688 39.229 38.487 0.089 0.000 1.113 72 N HN -0.448 8.258 8.380 0.144 -0.239 0.502 73 I N 0.179 120.685 120.570 -0.107 0.000 3.444 73 I HA 0.042 4.271 4.170 -0.236 -0.201 0.287 73 I C -0.475 175.552 176.117 -0.150 0.000 1.302 73 I CA 0.978 62.105 61.300 -0.287 0.000 1.368 73 I CB -0.921 36.655 38.000 -0.708 0.000 1.048 73 I HN 0.614 8.779 8.210 -0.074 0.000 0.487 74 N N -1.892 116.770 118.700 -0.063 0.000 2.254 74 N HA 0.143 4.858 4.740 -0.042 0.000 0.190 74 N C -0.957 174.558 175.510 0.008 0.000 1.107 74 N CA -0.010 53.025 53.050 -0.026 0.000 0.869 74 N CB 2.151 40.635 38.487 -0.005 0.000 0.983 74 N HN -0.086 8.535 8.380 -0.034 -0.261 0.487 75 V N 0.554 120.482 119.914 0.023 0.000 2.531 75 V HA 0.066 4.208 4.120 0.036 0.000 0.301 75 V C -1.236 174.893 176.094 0.058 0.000 1.034 75 V CA -1.011 61.312 62.300 0.039 0.000 0.865 75 V CB 2.870 34.715 31.823 0.037 0.000 0.995 75 V HN -0.781 7.443 8.190 0.019 -0.023 0.424 76 V N 8.415 128.366 119.914 0.062 0.000 2.364 76 V HA -0.237 4.136 4.120 0.091 -0.198 0.252 76 V C 0.382 176.489 176.094 0.023 0.000 1.075 76 V CA 1.030 63.365 62.300 0.058 0.000 1.033 76 V CB -0.855 30.995 31.823 0.045 0.000 1.116 76 V HN 0.417 8.640 8.190 0.055 0.000 0.488 77 E N 8.765 128.979 120.200 0.023 0.000 2.478 77 E HA -0.007 4.351 4.350 0.014 0.000 0.194 77 E C 0.549 177.146 176.600 -0.005 0.000 1.045 77 E CA 0.182 56.591 56.400 0.015 0.000 0.868 77 E CB 0.250 29.967 29.700 0.030 0.000 0.885 77 E HN 0.474 9.175 8.360 0.038 -0.318 0.505 78 G N -1.476 107.307 108.800 -0.028 0.000 2.278 78 G HA2 -0.336 3.586 3.960 -0.063 0.000 0.210 78 G HA3 -0.336 3.605 3.960 -0.031 0.000 0.210 78 G C 0.068 174.933 174.900 -0.058 0.000 1.000 78 G CA 0.288 45.360 45.100 -0.046 0.000 0.635 78 G HN 0.017 8.438 8.290 -0.035 -0.151 0.495 79 N N 0.535 119.210 118.700 -0.042 0.000 2.251 79 N HA 0.080 4.791 4.740 -0.047 0.000 0.217 79 N C -1.601 173.874 175.510 -0.058 0.000 1.124 79 N CA -0.572 52.453 53.050 -0.040 0.000 0.843 79 N CB 0.650 39.132 38.487 -0.008 0.000 1.024 79 N HN 0.367 8.734 8.380 -0.022 0.000 0.501 80 E N -0.138 119.989 120.200 -0.121 0.000 2.319 80 E HA 0.466 5.048 4.350 -0.042 -0.257 0.268 80 E C -0.220 176.193 176.600 -0.312 0.000 1.050 80 E CA -0.564 55.728 56.400 -0.180 0.000 0.878 80 E CB 0.958 30.485 29.700 -0.287 0.000 1.066 80 E HN -0.484 7.714 8.360 -0.139 0.079 0.406 81 Q N 0.461 120.144 119.800 -0.194 0.000 2.285 81 Q HA 0.315 4.505 4.340 -0.249 0.000 0.269 81 Q C -1.460 174.588 176.000 0.080 0.000 1.030 81 Q CA -1.200 54.519 55.803 -0.139 0.000 0.788 81 Q CB 3.426 32.144 28.738 -0.033 0.000 1.266 81 Q HN 0.338 8.592 8.270 -0.027 0.000 0.438 82 F N 3.366 123.297 119.950 -0.032 0.000 2.427 82 F HA 0.850 5.530 4.527 -0.047 -0.181 0.348 82 F C 0.002 175.778 175.800 -0.041 0.000 1.125 82 F CA -1.674 56.301 58.000 -0.042 0.000 0.989 82 F CB 1.959 40.932 39.000 -0.044 0.000 1.165 82 F HN 0.293 8.564 8.300 -0.048 0.000 0.442 83 I N 3.458 124.105 120.570 0.128 0.000 2.582 83 I HA 0.312 4.508 4.170 0.044 0.000 0.292 83 I C -1.391 174.729 176.117 0.005 0.000 1.066 83 I CA -1.303 60.023 61.300 0.044 0.000 1.053 83 I CB 4.429 42.439 38.000 0.015 0.000 1.241 83 I HN 1.066 9.239 8.210 0.117 0.107 0.421 84 S N 5.786 121.478 115.700 -0.013 0.000 2.617 84 S HA 0.148 4.596 4.470 -0.037 0.000 0.269 84 S C -0.892 173.675 174.600 -0.054 0.000 1.292 84 S CA 0.519 58.699 58.200 -0.034 0.000 1.010 84 S CB 1.046 64.226 63.200 -0.033 0.000 0.944 84 S HN 0.467 8.772 8.310 -0.008 0.000 0.536 85 A N 1.924 124.710 122.820 -0.057 0.000 2.331 85 A HA 0.459 4.877 4.320 -0.103 -0.160 0.283 85 A C -0.380 177.158 177.584 -0.077 0.000 1.142 85 A CA -0.967 51.025 52.037 -0.075 0.000 0.812 85 A CB 0.929 19.900 19.000 -0.048 0.000 1.074 85 A HN -0.322 7.798 8.150 -0.049 0.000 0.497 86 S N 2.920 118.553 115.700 -0.111 0.000 2.475 86 S HA 0.043 4.474 4.470 -0.065 0.000 0.224 86 S C 0.422 174.984 174.600 -0.063 0.000 1.042 86 S CA 1.279 59.424 58.200 -0.091 0.000 0.935 86 S CB 1.226 64.353 63.200 -0.123 0.000 0.801 86 S HN 0.572 8.670 8.310 -0.162 0.115 0.509 87 K N 0.822 121.177 120.400 -0.076 0.000 2.551 87 K HA 0.252 4.587 4.320 0.026 0.000 0.269 87 K C -2.465 174.161 176.600 0.043 0.000 0.949 87 K CA 0.169 56.455 56.287 -0.001 0.000 0.849 87 K CB 2.957 35.463 32.500 0.010 0.000 1.411 87 K HN -0.841 7.331 8.250 -0.131 0.000 0.432 88 S N 2.582 118.356 115.700 0.124 0.000 2.538 88 S HA 0.863 5.619 4.470 0.183 -0.176 0.288 88 S C -0.969 173.759 174.600 0.215 0.000 1.108 88 S CA -0.644 57.670 58.200 0.190 0.000 0.971 88 S CB 2.427 65.776 63.200 0.248 0.000 1.041 88 S HN 0.104 8.491 8.310 0.129 0.000 0.483 89 I N 7.373 128.090 120.570 0.244 0.000 2.439 89 I HA 0.179 4.462 4.170 0.188 0.000 0.283 89 I C -1.505 174.775 176.117 0.272 0.000 1.023 89 I CA -0.584 60.862 61.300 0.244 0.000 1.100 89 I CB 2.235 40.395 38.000 0.267 0.000 1.238 89 I HN 0.953 9.322 8.210 0.266 0.000 0.445 90 V N 7.380 127.384 119.914 0.151 0.000 2.732 90 V HA -0.120 4.066 4.120 0.110 0.000 0.297 90 V C -0.581 175.574 176.094 0.102 0.000 1.060 90 V CA -0.888 61.459 62.300 0.078 0.000 1.038 90 V CB 1.047 32.816 31.823 -0.090 0.000 1.003 90 V HN 0.312 8.552 8.190 0.083 0.000 0.481 91 H N 7.587 126.588 119.070 -0.116 0.000 3.001 91 H HA -0.042 4.046 4.556 -0.780 0.000 0.334 91 H C -0.016 175.191 175.328 -0.202 0.000 1.034 91 H CA 0.541 56.311 56.048 -0.463 0.000 1.420 91 H CB 1.766 31.155 29.762 -0.621 0.000 1.405 91 H HN -0.159 8.139 8.280 0.030 0.000 0.593 92 P HA -0.105 4.229 4.420 -0.143 0.000 0.219 92 P C -0.386 176.820 177.300 -0.157 0.000 1.146 92 P CA 1.693 64.607 63.100 -0.311 0.000 0.808 92 P CB 0.323 31.829 31.700 -0.323 0.000 0.779 93 S N -2.448 113.210 115.700 -0.070 0.000 2.574 93 S HA 0.071 4.559 4.470 0.029 0.000 0.242 93 S C -1.188 173.527 174.600 0.191 0.000 0.982 93 S CA -0.152 58.114 58.200 0.110 0.000 0.977 93 S CB 0.789 64.077 63.200 0.146 0.000 0.814 93 S HN -0.527 7.587 8.310 -0.273 0.033 0.464 94 Y N 4.075 124.425 120.300 0.084 0.000 2.544 94 Y HA -0.291 4.463 4.550 0.022 -0.191 0.330 94 Y C -0.816 175.081 175.900 -0.004 0.000 1.136 94 Y CA 0.906 59.023 58.100 0.029 0.000 1.417 94 Y CB 0.705 39.171 38.460 0.011 0.000 1.229 94 Y HN -0.784 7.581 8.280 0.260 0.071 0.532 95 N N 7.838 126.196 118.700 -0.570 0.000 2.511 95 N HA 0.219 4.706 4.740 -0.423 0.000 0.249 95 N C -0.188 174.756 175.510 -0.944 0.000 0.971 95 N CA -1.209 51.507 53.050 -0.557 0.000 0.938 95 N CB 1.425 39.745 38.487 -0.278 0.000 1.131 95 N HN -0.103 8.037 8.380 -0.399 0.000 0.505 96 S N 5.829 121.002 115.700 -0.879 0.000 2.515 96 S HA -0.088 3.893 4.470 -0.816 0.000 0.231 96 S C 0.755 175.162 174.600 -0.322 0.000 0.987 96 S CA 2.289 60.122 58.200 -0.611 0.000 0.936 96 S CB -0.146 62.919 63.200 -0.225 0.000 0.766 96 S HN 0.640 8.579 8.310 -0.619 0.000 0.528 97 N N 1.309 119.825 118.700 -0.306 0.000 2.278 97 N HA -0.081 4.538 4.740 -0.201 0.000 0.181 97 N C 1.173 176.512 175.510 -0.285 0.000 1.023 97 N CA 2.262 55.171 53.050 -0.234 0.000 0.862 97 N CB 0.762 39.142 38.487 -0.178 0.000 1.003 97 N HN -0.255 8.100 8.380 -0.337 -0.177 0.431 98 T N -3.695 110.684 114.554 -0.292 0.000 3.037 98 T HA 0.041 4.174 4.350 -0.361 0.000 0.251 98 T C 0.189 174.667 174.700 -0.369 0.000 1.079 98 T CA 0.308 62.221 62.100 -0.311 0.000 1.067 98 T CB 1.299 70.052 68.868 -0.193 0.000 0.948 98 T HN -0.501 7.827 8.240 -0.284 -0.259 0.496 99 L N -4.018 117.018 121.223 -0.312 0.000 4.351 99 L HA -0.489 3.900 4.340 -0.068 -0.090 0.410 99 L C -1.829 175.067 176.870 0.044 0.000 1.150 99 L CA 0.530 55.292 54.840 -0.130 0.000 0.961 99 L CB -2.785 39.126 42.059 -0.246 0.000 2.130 99 L HN -0.092 7.879 8.230 -0.354 0.047 0.787 100 N N -0.689 117.993 118.700 -0.030 0.000 2.513 100 N HA -0.155 4.653 4.740 0.113 0.000 0.268 100 N C -0.152 175.426 175.510 0.113 0.000 1.180 100 N CA 0.716 53.800 53.050 0.057 0.000 0.948 100 N CB 1.125 39.617 38.487 0.007 0.000 1.083 100 N HN -0.798 7.454 8.380 -0.139 0.044 0.455 101 N N -0.656 118.118 118.700 0.124 0.000 2.746 101 N HA -0.458 4.263 4.740 -0.032 0.000 0.250 101 N C -1.257 174.283 175.510 0.051 0.000 1.055 101 N CA 1.333 54.378 53.050 -0.007 0.000 0.699 101 N CB -1.509 36.914 38.487 -0.107 0.000 0.919 101 N HN 0.646 9.114 8.380 0.146 0.000 0.548 102 D N -0.749 119.708 120.400 0.095 0.000 2.713 102 D HA 0.093 4.762 4.640 0.049 0.000 0.229 102 D C -2.042 174.203 176.300 -0.092 0.000 1.136 102 D CA -0.584 53.466 54.000 0.083 0.000 1.010 102 D CB -0.748 40.198 40.800 0.243 0.000 1.084 102 D HN 0.060 8.496 8.370 0.109 0.000 0.495 103 I N 0.867 121.312 120.570 -0.208 0.000 2.802 103 I HA 0.606 4.890 4.170 -0.080 -0.161 0.298 103 I C -3.114 172.992 176.117 -0.018 0.000 1.176 103 I CA -1.551 59.659 61.300 -0.150 0.000 1.025 103 I CB 3.984 41.783 38.000 -0.334 0.000 1.243 103 I HN -0.245 7.775 8.210 -0.229 0.052 0.424 104 M N 6.205 125.863 119.600 0.097 0.000 2.531 104 M HA 0.742 5.567 4.480 0.321 -0.152 0.286 104 M C -2.785 173.651 176.300 0.226 0.000 1.232 104 M CA -1.193 54.227 55.300 0.200 0.000 0.877 104 M CB 4.999 37.661 32.600 0.104 0.000 1.726 104 M HN 0.569 8.903 8.290 0.073 0.000 0.463 105 L N 2.146 123.525 121.223 0.260 0.000 2.346 105 L HA 0.942 5.611 4.340 0.222 -0.196 0.274 105 L C -1.362 175.695 176.870 0.311 0.000 1.007 105 L CA -1.506 53.485 54.840 0.252 0.000 0.818 105 L CB 3.577 45.708 42.059 0.119 0.000 1.284 105 L HN 0.252 8.666 8.230 0.307 0.000 0.424 106 I N 0.993 121.741 120.570 0.297 0.000 2.545 106 I HA 0.546 4.944 4.170 0.128 -0.151 0.292 106 I C -1.850 174.245 176.117 -0.036 0.000 1.040 106 I CA -1.341 60.039 61.300 0.134 0.000 1.068 106 I CB 3.744 41.788 38.000 0.074 0.000 1.251 106 I HN 0.995 9.299 8.210 0.324 0.101 0.424 107 K N 5.351 125.541 120.400 -0.351 0.000 2.156 107 K HA 0.709 4.451 4.320 -1.197 -0.140 0.254 107 K C -1.143 175.187 176.600 -0.450 0.000 0.950 107 K CA -2.140 53.598 56.287 -0.915 0.000 0.849 107 K CB 3.653 35.392 32.500 -1.268 0.000 1.100 107 K HN 0.706 8.830 8.250 -0.210 0.000 0.434 108 L N 3.353 124.327 121.223 -0.414 0.000 2.399 108 L HA 0.305 4.667 4.340 -0.163 -0.119 0.265 108 L C 1.516 178.267 176.870 -0.198 0.000 1.089 108 L CA -0.321 54.387 54.840 -0.219 0.000 0.802 108 L CB 0.750 42.719 42.059 -0.150 0.000 1.180 108 L HN 0.737 8.636 8.230 -0.551 0.000 0.454 109 K N 2.212 122.537 120.400 -0.125 0.000 2.167 109 K HA -0.181 4.072 4.320 -0.112 0.000 0.203 109 K C -0.231 176.319 176.600 -0.083 0.000 1.052 109 K CA 2.678 58.907 56.287 -0.097 0.000 0.956 109 K CB 0.529 32.990 32.500 -0.064 0.000 0.735 109 K HN 0.607 8.797 8.250 -0.099 0.000 0.451 110 S N -4.220 111.436 115.700 -0.073 0.000 2.599 110 S HA 0.139 4.576 4.470 -0.054 0.000 0.287 110 S C -1.772 172.794 174.600 -0.057 0.000 1.105 110 S CA -1.066 57.102 58.200 -0.054 0.000 0.899 110 S CB 2.024 65.203 63.200 -0.035 0.000 1.100 110 S HN -0.665 7.586 8.310 -0.073 0.015 0.482 111 A N 1.603 124.397 122.820 -0.043 0.000 2.388 111 A HA 0.088 4.515 4.320 -0.047 -0.136 0.257 111 A C -0.593 176.981 177.584 -0.016 0.000 1.095 111 A CA -0.215 51.803 52.037 -0.032 0.000 0.791 111 A CB 0.864 19.855 19.000 -0.014 0.000 1.029 111 A HN 0.209 8.338 8.150 -0.036 0.000 0.489 112 A N 2.553 125.369 122.820 -0.006 0.000 2.346 112 A HA 0.083 4.401 4.320 -0.002 0.000 0.252 112 A C -0.427 177.162 177.584 0.007 0.000 1.089 112 A CA -0.625 51.414 52.037 0.004 0.000 0.797 112 A CB 0.950 19.962 19.000 0.019 0.000 1.047 112 A HN 0.585 8.622 8.150 -0.006 0.110 0.494 113 S N 0.094 115.797 115.700 0.004 0.000 2.429 113 S HA 0.165 4.639 4.470 0.007 0.000 0.302 113 S C -1.102 173.505 174.600 0.012 0.000 1.115 113 S CA -0.715 57.488 58.200 0.004 0.000 1.095 113 S CB 0.483 63.680 63.200 -0.005 0.000 0.987 113 S HN -0.075 8.557 8.310 0.000 -0.322 0.474 114 L N 6.137 127.371 121.223 0.019 0.000 2.334 114 L HA 0.128 4.580 4.340 0.030 -0.093 0.277 114 L C -0.614 176.269 176.870 0.021 0.000 1.075 114 L CA -0.365 54.491 54.840 0.027 0.000 0.804 114 L CB 0.853 42.934 42.059 0.036 0.000 1.174 114 L HN 0.309 8.550 8.230 0.018 0.000 0.438 115 N N 3.587 122.300 118.700 0.022 0.000 3.587 115 N HA 0.230 4.980 4.740 0.017 0.000 0.339 115 N C -1.108 174.415 175.510 0.022 0.000 1.636 115 N CA -0.634 52.427 53.050 0.017 0.000 0.788 115 N CB 1.078 39.570 38.487 0.008 0.000 2.205 115 N HN 0.475 8.764 8.380 0.028 0.107 0.600 116 S N -1.402 114.308 115.700 0.016 0.000 2.402 116 S HA -0.234 4.249 4.470 0.022 0.000 0.229 116 S C 0.438 175.048 174.600 0.015 0.000 1.021 116 S CA 3.021 61.231 58.200 0.017 0.000 0.974 116 S CB -0.032 63.175 63.200 0.012 0.000 0.800 116 S HN 0.127 8.444 8.310 0.012 0.000 0.484 117 R N -2.004 118.503 120.500 0.012 0.000 2.223 117 R HA 0.011 4.352 4.340 0.002 0.000 0.198 117 R C -1.194 175.114 176.300 0.014 0.000 0.984 117 R CA 0.763 56.868 56.100 0.008 0.000 1.018 117 R CB 1.271 31.575 30.300 0.007 0.000 0.945 117 R HN -0.230 8.298 8.270 0.011 -0.252 0.479 118 V N -0.899 119.029 119.914 0.024 0.000 2.409 118 V HA 0.322 4.657 4.120 0.041 -0.190 0.290 118 V C -2.089 174.037 176.094 0.054 0.000 1.017 118 V CA -1.206 61.117 62.300 0.039 0.000 0.841 118 V CB 1.924 33.767 31.823 0.034 0.000 1.003 118 V HN -0.591 7.699 8.190 0.022 -0.086 0.426 119 A N 7.213 130.082 122.820 0.081 0.000 2.556 119 A HA 0.614 4.982 4.320 0.080 0.000 0.294 119 A C -2.717 174.957 177.584 0.151 0.000 1.091 119 A CA -1.697 50.402 52.037 0.103 0.000 0.704 119 A CB 2.963 22.026 19.000 0.105 0.000 1.300 119 A HN 0.390 8.467 8.150 0.085 0.125 0.406 120 S N -1.332 114.444 115.700 0.126 0.000 2.672 120 S HA 0.612 5.312 4.470 0.159 -0.135 0.276 120 S C -0.800 173.862 174.600 0.104 0.000 1.207 120 S CA -0.876 57.399 58.200 0.125 0.000 1.002 120 S CB 1.866 65.118 63.200 0.087 0.000 0.998 120 S HN -0.012 8.356 8.310 0.098 0.000 0.542 121 I N 0.717 121.308 120.570 0.036 0.000 2.648 121 I HA 0.259 4.379 4.170 -0.082 0.000 0.304 121 I C -1.771 174.305 176.117 -0.069 0.000 1.009 121 I CA -1.675 59.558 61.300 -0.112 0.000 1.114 121 I CB 3.904 41.633 38.000 -0.452 0.000 1.293 121 I HN 0.300 8.541 8.210 0.051 0.000 0.449 122 S N 5.758 121.412 115.700 -0.076 0.000 2.586 122 S HA 0.275 4.730 4.470 -0.025 0.000 0.274 122 S C -0.932 173.640 174.600 -0.048 0.000 1.281 122 S CA -0.601 57.573 58.200 -0.044 0.000 1.035 122 S CB 0.803 63.983 63.200 -0.033 0.000 0.962 122 S HN 0.215 8.466 8.310 -0.098 0.000 0.512 123 L N 2.467 123.675 121.223 -0.025 0.000 2.399 123 L HA 0.244 4.578 4.340 -0.010 0.000 0.266 123 L C -0.951 175.912 176.870 -0.012 0.000 1.114 123 L CA -2.301 52.532 54.840 -0.010 0.000 0.804 123 L CB 0.347 42.407 42.059 0.003 0.000 1.146 123 L HN 0.280 8.499 8.230 -0.019 0.000 0.451 124 P HA 0.126 4.532 4.420 -0.023 0.000 0.276 124 P C -0.997 176.298 177.300 -0.009 0.000 1.244 124 P CA -0.533 62.559 63.100 -0.014 0.000 0.801 124 P CB 0.595 32.285 31.700 -0.017 0.000 1.006 128 c N 0.473 119.038 118.600 -0.058 0.000 2.422 128 c HA 0.123 4.639 4.570 -0.089 0.000 0.364 128 c C -0.051 173.970 174.090 -0.115 0.000 1.251 128 c CA -0.446 55.829 56.329 -0.090 0.000 2.441 128 c CB 0.721 43.178 42.510 -0.087 0.000 2.393 128 c HN -0.038 8.161 8.230 -0.051 0.000 0.606 129 A N 0.904 123.618 122.820 -0.176 0.000 2.295 129 A HA 0.131 4.378 4.320 -0.121 0.000 0.318 129 A C -0.846 176.631 177.584 -0.178 0.000 1.134 129 A CA -0.412 51.522 52.037 -0.171 0.000 0.827 129 A CB 0.994 19.871 19.000 -0.205 0.000 1.136 129 A HN 0.157 8.167 8.150 -0.234 0.000 0.493 133 G N 0.373 109.142 108.800 -0.052 0.000 2.308 133 G HA2 -0.269 3.669 3.960 -0.036 0.000 0.221 133 G HA3 -0.269 3.670 3.960 -0.034 0.000 0.221 133 G C -0.163 174.711 174.900 -0.044 0.000 1.032 133 G CA -0.055 45.021 45.100 -0.041 0.000 0.623 133 G HN 0.610 8.760 8.290 -0.055 0.108 0.506 134 T N 4.738 119.257 114.554 -0.059 0.000 2.902 134 T HA -0.173 4.152 4.350 -0.043 0.000 0.301 134 T C -0.633 174.037 174.700 -0.051 0.000 1.012 134 T CA 2.355 64.420 62.100 -0.058 0.000 1.151 134 T CB 0.302 69.120 68.868 -0.084 0.000 0.946 134 T HN -0.608 7.495 8.240 -0.071 0.095 0.542 135 Q N 5.039 124.822 119.800 -0.028 0.000 2.259 135 Q HA 0.098 4.562 4.340 -0.015 -0.133 0.249 135 Q C -0.833 175.161 176.000 -0.011 0.000 0.914 135 Q CA 0.249 56.047 55.803 -0.008 0.000 0.904 135 Q CB 1.361 30.111 28.738 0.020 0.000 1.213 135 Q HN 0.172 8.429 8.270 -0.022 0.000 0.428 136 c N 0.422 119.018 118.600 -0.006 0.000 3.108 136 c HA 0.671 5.356 4.570 -0.005 -0.118 0.321 136 c C -1.877 172.226 174.090 0.021 0.000 1.357 136 c CA -1.269 55.056 56.329 -0.007 0.000 1.562 136 c CB 4.381 46.868 42.510 -0.038 0.000 2.003 136 c HN 0.717 8.838 8.230 -0.002 0.107 0.460 137 L N -0.021 121.220 121.223 0.030 0.000 2.362 137 L HA 0.960 5.514 4.340 0.055 -0.181 0.275 137 L C -2.382 174.506 176.870 0.030 0.000 0.998 137 L CA -1.540 53.330 54.840 0.050 0.000 0.820 137 L CB 3.682 45.793 42.059 0.088 0.000 1.270 137 L HN 0.646 8.781 8.230 0.023 0.109 0.415 138 I N 5.684 126.257 120.570 0.005 0.000 2.608 138 I HA 0.867 5.277 4.170 0.031 -0.221 0.295 138 I C -1.672 174.422 176.117 -0.039 0.000 1.049 138 I CA -1.621 59.681 61.300 0.004 0.000 1.063 138 I CB 3.481 41.483 38.000 0.003 0.000 1.248 138 I HN 0.851 9.058 8.210 -0.004 0.000 0.424 139 S N 1.099 116.775 115.700 -0.039 0.000 2.579 139 S HA 1.008 5.537 4.470 -0.195 -0.176 0.272 139 S C -1.364 173.138 174.600 -0.164 0.000 1.141 139 S CA -1.559 56.547 58.200 -0.156 0.000 0.843 139 S CB 3.715 66.788 63.200 -0.211 0.000 1.122 139 S HN -0.176 8.144 8.310 0.017 0.000 0.468 140 G N -1.246 107.376 108.800 -0.297 0.000 2.316 140 G HA2 0.175 3.937 3.960 -0.330 0.000 0.296 140 G HA3 0.175 4.252 3.960 -0.003 -0.119 0.296 140 G C -2.279 172.448 174.900 -0.287 0.000 1.399 140 G CA 0.582 45.545 45.100 -0.227 0.000 0.833 140 G HN 0.206 8.270 8.290 -0.376 0.000 0.565 141 W N 1.263 122.542 121.300 -0.036 0.000 3.086 141 W HA 0.335 4.962 4.660 -0.055 0.000 0.436 141 W C -0.356 176.233 176.519 0.118 0.000 0.939 141 W CA -0.961 56.334 57.345 -0.083 0.000 2.108 141 W CB -0.264 28.943 29.460 -0.421 0.000 1.093 141 W HN 0.564 8.977 8.180 0.388 0.000 0.783 142 G N 0.722 109.699 108.800 0.295 0.000 2.580 142 G HA2 0.008 4.305 3.960 0.561 0.000 0.278 142 G HA3 0.008 4.303 3.960 0.262 -0.177 0.278 142 G C -0.997 173.944 174.900 0.068 0.000 1.212 142 G CA -0.926 44.367 45.100 0.323 0.000 0.939 142 G HN -0.445 8.071 8.290 0.176 -0.120 0.513 143 N N -0.300 118.293 118.700 -0.179 0.000 2.292 143 N HA -0.322 3.915 4.740 -1.104 -0.160 0.242 143 N C 0.698 176.065 175.510 -0.238 0.000 1.243 143 N CA 1.393 54.089 53.050 -0.592 0.000 0.851 143 N CB 0.597 38.784 38.487 -0.500 0.000 1.093 143 N HN -0.128 8.288 8.380 0.061 0.000 0.450 144 T N -1.155 113.261 114.554 -0.229 0.000 3.084 144 T HA 0.190 4.596 4.350 -0.080 -0.104 0.270 144 T C -0.294 174.357 174.700 -0.082 0.000 1.008 144 T CA 0.053 62.087 62.100 -0.109 0.000 0.900 144 T CB 1.602 70.425 68.868 -0.076 0.000 1.084 144 T HN 0.126 8.173 8.240 -0.321 0.000 0.538 145 K N 2.015 122.356 120.400 -0.099 0.000 2.292 145 K HA 0.366 4.663 4.320 -0.038 0.000 0.257 145 K C -0.365 176.212 176.600 -0.039 0.000 0.940 145 K CA -2.095 54.158 56.287 -0.056 0.000 0.811 145 K CB 2.231 34.699 32.500 -0.053 0.000 1.120 145 K HN -0.805 7.587 8.250 -0.152 -0.233 0.428 146 S N 2.674 118.364 115.700 -0.016 0.000 2.371 146 S HA -0.233 4.238 4.470 0.002 0.000 0.224 146 S C 0.112 174.714 174.600 0.004 0.000 1.029 146 S CA 2.247 60.446 58.200 -0.000 0.000 0.978 146 S CB 0.320 63.526 63.200 0.009 0.000 0.833 146 S HN 0.241 8.543 8.310 -0.013 0.000 0.466 147 S N 1.467 117.168 115.700 0.002 0.000 2.475 147 S HA 0.122 4.599 4.470 0.012 0.000 0.249 147 S C -1.079 173.523 174.600 0.003 0.000 1.298 147 S CA -0.151 58.053 58.200 0.007 0.000 1.125 147 S CB -0.510 62.695 63.200 0.008 0.000 1.054 147 S HN -0.392 7.917 8.310 -0.002 0.000 0.484 148 G N 3.281 112.082 108.800 0.002 0.000 2.369 148 G HA2 -0.147 3.821 3.960 0.013 0.000 0.293 148 G HA3 -0.147 3.812 3.960 -0.002 0.000 0.293 148 G C -2.671 172.224 174.900 -0.010 0.000 1.301 148 G CA -0.170 44.931 45.100 0.002 0.000 0.913 148 G HN -0.383 7.910 8.290 0.005 0.000 0.540 149 T N 0.065 114.619 114.554 -0.000 0.000 2.890 149 T HA 0.178 4.628 4.350 -0.095 -0.158 0.295 149 T C -1.575 173.117 174.700 -0.013 0.000 0.993 149 T CA -0.042 62.054 62.100 -0.007 0.000 0.979 149 T CB 2.072 71.002 68.868 0.103 0.000 0.967 149 T HN -0.077 8.170 8.240 0.013 0.000 0.441 150 S N 6.344 121.964 115.700 -0.133 0.000 2.750 150 S HA 0.233 4.735 4.470 0.053 0.000 0.276 150 S C -2.284 172.225 174.600 -0.153 0.000 1.165 150 S CA -0.156 58.015 58.200 -0.048 0.000 1.047 150 S CB 1.341 64.517 63.200 -0.041 0.000 1.056 150 S HN 0.563 9.050 8.310 -0.318 -0.368 0.481 151 Y N 5.574 125.910 120.300 0.060 0.000 2.335 151 Y HA 0.259 4.862 4.550 0.089 0.000 0.338 151 Y C -1.157 174.791 175.900 0.081 0.000 0.977 151 Y CA -2.826 55.323 58.100 0.082 0.000 1.114 151 Y CB 1.310 39.827 38.460 0.095 0.000 1.182 151 Y HN 0.098 8.539 8.280 0.268 0.000 0.463 152 P HA 0.248 4.746 4.420 0.129 0.000 0.279 152 P C -1.757 175.681 177.300 0.230 0.000 1.252 152 P CA -1.073 62.127 63.100 0.168 0.000 0.811 152 P CB 2.019 33.782 31.700 0.105 0.000 1.035 153 D N -1.648 118.865 120.400 0.188 0.000 2.355 153 D HA 0.007 4.745 4.640 0.164 0.000 0.206 153 D C -0.976 175.509 176.300 0.309 0.000 1.010 153 D CA 1.130 55.243 54.000 0.189 0.000 0.875 153 D CB 0.951 41.814 40.800 0.106 0.000 0.966 153 D HN 0.408 8.863 8.370 0.141 0.000 0.512 154 V N -7.176 112.896 119.914 0.263 0.000 2.881 154 V HA 0.837 5.374 4.120 0.384 -0.186 0.316 154 V C -0.670 175.416 176.094 -0.014 0.000 1.070 154 V CA -2.804 59.632 62.300 0.228 0.000 0.976 154 V CB 2.455 34.336 31.823 0.097 0.000 1.038 154 V HN -1.041 7.257 8.190 0.181 0.000 0.446 155 L N 2.109 123.181 121.223 -0.251 0.000 2.453 155 L HA -0.036 3.522 4.340 -1.302 0.000 0.272 155 L C -0.516 176.106 176.870 -0.415 0.000 1.182 155 L CA 0.718 55.118 54.840 -0.733 0.000 0.858 155 L CB 0.673 42.299 42.059 -0.722 0.000 1.120 155 L HN -0.321 8.083 8.230 -0.034 -0.194 0.474 156 K N 5.018 125.148 120.400 -0.451 0.000 2.270 156 K HA 0.671 4.981 4.320 -0.324 -0.185 0.255 156 K C -1.123 175.230 176.600 -0.412 0.000 0.936 156 K CA -2.427 53.651 56.287 -0.348 0.000 0.809 156 K CB 2.036 34.394 32.500 -0.237 0.000 1.131 156 K HN -0.429 7.472 8.250 -0.583 0.000 0.427 157 c N 1.579 119.828 118.600 -0.585 0.000 2.486 157 c HA 1.022 5.536 4.570 -0.392 -0.179 0.348 157 c C -1.539 172.149 174.090 -0.670 0.000 1.203 157 c CA -0.962 54.974 56.329 -0.656 0.000 1.911 157 c CB 3.382 45.374 42.510 -0.863 0.000 2.340 157 c HN 0.765 8.571 8.230 -0.708 0.000 0.511 158 L N -0.090 120.945 121.223 -0.313 0.000 2.549 158 L HA 0.401 4.739 4.340 -0.004 0.000 0.259 158 L C -2.765 174.149 176.870 0.072 0.000 0.934 158 L CA 0.505 55.310 54.840 -0.059 0.000 0.865 158 L CB 4.333 46.383 42.059 -0.015 0.000 1.352 158 L HN 0.341 8.440 8.230 -0.218 0.000 0.410 159 K N 5.899 126.407 120.400 0.179 0.000 2.274 159 K HA 0.946 5.581 4.320 0.118 -0.245 0.262 159 K C -1.538 175.196 176.600 0.223 0.000 0.961 159 K CA -1.344 55.045 56.287 0.170 0.000 0.833 159 K CB 1.807 34.417 32.500 0.183 0.000 1.102 159 K HN 0.269 8.654 8.250 0.226 0.000 0.436 160 A N 3.066 125.969 122.820 0.138 0.000 2.515 160 A HA 0.660 5.106 4.320 0.210 0.000 0.298 160 A C -3.169 174.377 177.584 -0.063 0.000 1.059 160 A CA -3.084 48.995 52.037 0.069 0.000 0.698 160 A CB 2.856 21.874 19.000 0.030 0.000 1.289 160 A HN 0.243 8.435 8.150 0.071 0.000 0.404 161 P HA 0.659 5.238 4.420 -0.069 -0.200 0.282 161 P C -1.126 176.110 177.300 -0.108 0.000 1.259 161 P CA -1.449 61.581 63.100 -0.117 0.000 0.826 161 P CB 1.659 33.294 31.700 -0.107 0.000 1.064 162 I N -0.483 120.051 120.570 -0.061 0.000 2.529 162 I HA -0.048 4.296 4.170 0.098 -0.115 0.284 162 I C 0.150 176.260 176.117 -0.012 0.000 1.082 162 I CA 0.491 61.792 61.300 0.002 0.000 1.406 162 I CB 0.401 38.346 38.000 -0.090 0.000 1.405 162 I HN 0.046 8.214 8.210 -0.071 0.000 0.548 163 L N 5.578 126.823 121.223 0.035 0.000 2.387 163 L HA 0.435 4.763 4.340 -0.020 0.000 0.266 163 L C -0.675 176.214 176.870 0.032 0.000 1.059 163 L CA -1.179 53.668 54.840 0.012 0.000 0.801 163 L CB 0.707 42.776 42.059 0.016 0.000 1.223 163 L HN 0.200 8.497 8.230 0.110 0.000 0.456 164 S N -0.012 115.698 115.700 0.016 0.000 2.584 164 S HA -0.094 4.383 4.470 0.012 0.000 0.270 164 S C 0.598 175.223 174.600 0.041 0.000 1.346 164 S CA -0.479 57.733 58.200 0.019 0.000 1.018 164 S CB 1.003 64.209 63.200 0.009 0.000 0.899 164 S HN 0.238 8.551 8.310 0.006 0.000 0.542 165 D N 1.927 122.353 120.400 0.044 0.000 2.219 165 D HA -0.201 4.488 4.640 0.082 0.000 0.205 165 D C 1.876 178.207 176.300 0.051 0.000 0.970 165 D CA 3.456 57.492 54.000 0.061 0.000 0.851 165 D CB -0.167 40.667 40.800 0.057 0.000 0.943 165 D HN 0.513 8.902 8.370 0.031 0.000 0.488 166 S N -0.463 115.258 115.700 0.035 0.000 2.356 166 S HA -0.334 4.155 4.470 0.032 0.000 0.223 166 S C 1.743 176.360 174.600 0.028 0.000 1.032 166 S CA 3.225 61.442 58.200 0.029 0.000 1.005 166 S CB -0.096 63.115 63.200 0.018 0.000 0.867 166 S HN 0.125 8.430 8.310 0.029 0.022 0.449 167 S N 1.369 117.084 115.700 0.024 0.000 2.453 167 S HA -0.085 4.388 4.470 0.006 0.000 0.231 167 S C 1.672 176.286 174.600 0.024 0.000 1.005 167 S CA 2.804 61.012 58.200 0.014 0.000 0.949 167 S CB -0.324 62.881 63.200 0.007 0.000 0.774 167 S HN -0.553 7.771 8.310 0.024 0.000 0.510 168 c N 4.039 122.671 118.600 0.053 0.000 2.462 168 c HA -0.242 4.391 4.570 0.104 0.000 0.278 168 c C 1.860 176.026 174.090 0.128 0.000 1.253 168 c CA 2.920 59.308 56.329 0.098 0.000 1.713 168 c CB -1.767 40.803 42.510 0.100 0.000 2.049 168 c HN -0.448 7.687 8.230 0.052 0.126 0.477 169 K N -0.961 119.499 120.400 0.100 0.000 2.147 169 K HA -0.360 4.051 4.320 0.152 0.000 0.205 169 K C 2.214 178.858 176.600 0.075 0.000 1.049 169 K CA 3.239 59.589 56.287 0.106 0.000 0.936 169 K CB -0.093 32.454 32.500 0.078 0.000 0.722 169 K HN 0.194 8.493 8.250 0.081 0.000 0.446 170 S N -1.146 114.574 115.700 0.034 0.000 2.406 170 S HA -0.234 4.243 4.470 0.012 0.000 0.228 170 S C 0.882 175.454 174.600 -0.048 0.000 1.020 170 S CA 2.755 60.955 58.200 0.001 0.000 0.965 170 S CB -0.029 63.166 63.200 -0.008 0.000 0.798 170 S HN -0.544 7.686 8.310 0.031 0.099 0.488 171 A N -0.455 122.306 122.820 -0.097 0.000 1.968 171 A HA -0.085 4.073 4.320 -0.269 0.000 0.217 171 A C -0.659 176.650 177.584 -0.459 0.000 1.169 171 A CA 1.812 53.654 52.037 -0.324 0.000 0.638 171 A CB 0.784 19.515 19.000 -0.447 0.000 0.812 171 A HN -0.746 7.270 8.150 -0.044 0.108 0.446 172 Y N -5.378 114.951 120.300 0.049 0.000 2.562 172 Y HA 0.467 5.080 4.550 0.104 0.000 0.363 172 Y C -2.618 173.336 175.900 0.092 0.000 0.991 172 Y CA -3.075 55.084 58.100 0.099 0.000 1.121 172 Y CB -0.220 38.338 38.460 0.163 0.000 1.159 172 Y HN -0.497 7.727 8.280 0.080 0.105 0.651 173 P HA -0.090 4.500 4.420 0.102 -0.108 0.264 173 P C 0.816 178.184 177.300 0.114 0.000 1.183 173 P CA 1.076 64.242 63.100 0.109 0.000 0.763 173 P CB 0.237 31.975 31.700 0.063 0.000 0.807 174 G N 3.330 112.187 108.800 0.095 0.000 2.187 174 G HA2 -0.382 3.615 3.960 0.063 0.000 0.261 174 G HA3 -0.382 3.611 3.960 0.055 0.000 0.261 174 G C 0.076 175.026 174.900 0.084 0.000 1.000 174 G CA 1.034 46.178 45.100 0.073 0.000 0.718 174 G HN 0.518 8.861 8.290 0.088 0.000 0.519 175 Q N -2.645 117.240 119.800 0.142 0.000 2.245 175 Q HA 0.072 4.454 4.340 0.069 0.000 0.236 175 Q C -0.354 175.777 176.000 0.217 0.000 0.842 175 Q CA -0.239 55.658 55.803 0.158 0.000 0.945 175 Q CB 1.644 30.531 28.738 0.249 0.000 1.122 175 Q HN -0.360 7.954 8.270 0.177 0.062 0.506 176 I N -0.097 120.591 120.570 0.196 0.000 2.385 176 I HA 0.050 4.353 4.170 0.220 0.000 0.294 176 I C -0.187 176.002 176.117 0.120 0.000 0.988 176 I CA -2.027 59.376 61.300 0.173 0.000 1.265 176 I CB -0.146 37.942 38.000 0.147 0.000 1.388 176 I HN -0.438 7.877 8.210 0.175 0.000 0.480 177 T N 1.270 115.893 114.554 0.115 0.000 2.841 177 T HA 0.386 4.777 4.350 0.067 0.000 0.276 177 T C 0.574 175.323 174.700 0.082 0.000 1.003 177 T CA -2.020 60.130 62.100 0.082 0.000 0.995 177 T CB 2.516 71.426 68.868 0.071 0.000 1.260 177 T HN -0.547 7.775 8.240 0.137 0.000 0.581 178 S N -2.143 113.592 115.700 0.059 0.000 2.603 178 S HA -0.174 4.333 4.470 0.061 0.000 0.229 178 S C 0.283 174.920 174.600 0.062 0.000 0.972 178 S CA 1.775 60.005 58.200 0.051 0.000 0.935 178 S CB -0.166 63.046 63.200 0.020 0.000 0.769 178 S HN 0.258 8.595 8.310 0.045 0.000 0.536 179 N N 0.644 119.394 118.700 0.083 0.000 2.251 179 N HA 0.173 4.965 4.740 0.086 0.000 0.217 179 N C -1.695 173.934 175.510 0.199 0.000 1.124 179 N CA -0.393 52.732 53.050 0.126 0.000 0.843 179 N CB 0.882 39.461 38.487 0.153 0.000 1.024 179 N HN -0.603 7.745 8.380 0.084 0.082 0.501 180 M N -1.307 118.399 119.600 0.176 0.000 2.575 180 M HA 0.776 5.540 4.480 0.127 -0.208 0.284 180 M C -2.278 174.143 176.300 0.202 0.000 1.253 180 M CA -0.306 55.077 55.300 0.138 0.000 0.861 180 M CB 5.261 37.902 32.600 0.068 0.000 1.733 180 M HN -0.820 7.467 8.290 0.152 0.094 0.462 181 F N -5.117 114.863 119.950 0.050 0.000 2.668 181 F HA 0.643 5.188 4.527 0.029 0.000 0.309 181 F C -2.592 173.249 175.800 0.070 0.000 1.117 181 F CA -1.895 56.133 58.000 0.047 0.000 0.951 181 F CB 2.360 41.388 39.000 0.047 0.000 1.323 181 F HN -0.037 8.134 8.300 -0.214 0.000 0.451 182 c N -0.181 118.528 118.600 0.181 0.000 2.397 182 c HA 1.011 5.762 4.570 -0.006 -0.185 0.343 182 c C -1.026 173.205 174.090 0.236 0.000 1.188 182 c CA -1.199 55.191 56.329 0.101 0.000 1.992 182 c CB 2.871 45.422 42.510 0.068 0.000 2.358 182 c HN 0.862 9.255 8.230 0.272 0.000 0.518 183 A N 2.056 125.004 122.820 0.213 0.000 2.476 183 A HA 0.609 5.086 4.320 0.053 -0.125 0.280 183 A C -2.310 175.294 177.584 0.033 0.000 1.081 183 A CA -0.429 51.657 52.037 0.082 0.000 0.753 183 A CB 2.694 21.642 19.000 -0.086 0.000 1.248 183 A HN 0.370 8.692 8.150 0.286 0.000 0.424 184 Y N 2.964 123.294 120.300 0.050 0.000 2.404 184 Y HA 0.088 4.680 4.550 0.032 -0.023 0.344 184 Y C 1.082 176.998 175.900 0.026 0.000 0.995 184 Y CA -0.376 57.745 58.100 0.034 0.000 1.201 184 Y CB 0.389 38.867 38.460 0.030 0.000 1.151 184 Y HN 0.227 8.589 8.280 0.136 0.000 0.517 185 L N 4.401 125.686 121.223 0.103 0.000 2.275 185 L HA -0.344 4.022 4.340 0.044 0.000 0.215 185 L C 0.993 177.907 176.870 0.073 0.000 1.119 185 L CA 2.430 57.306 54.840 0.060 0.000 0.790 185 L CB -0.471 41.604 42.059 0.027 0.000 0.919 185 L HN 0.559 8.832 8.230 0.072 0.000 0.443 186 E N -2.606 117.659 120.200 0.109 0.000 2.418 186 E HA -0.130 4.250 4.350 0.049 0.000 0.197 186 E C 0.881 177.520 176.600 0.064 0.000 1.026 186 E CA 0.235 56.678 56.400 0.073 0.000 0.862 186 E CB -0.538 29.202 29.700 0.067 0.000 0.799 186 E HN 0.128 8.547 8.360 0.157 0.036 0.518 187 G N 0.663 109.521 108.800 0.096 0.000 3.439 187 G HA2 -0.364 3.742 3.960 0.090 0.000 0.684 187 G HA3 -0.364 3.626 3.960 0.049 0.000 0.684 187 G C -0.828 174.107 174.900 0.058 0.000 1.005 187 G CA -0.279 44.866 45.100 0.075 0.000 0.837 187 G HN -0.463 7.742 8.290 0.144 0.171 0.470 188 K N 1.907 122.330 120.400 0.038 0.000 6.310 188 K HA -0.599 4.021 4.320 0.038 -0.277 0.657 188 K C -1.295 175.411 176.600 0.175 0.000 2.391 188 K CA 0.898 57.230 56.287 0.075 0.000 1.744 188 K CB 0.086 32.576 32.500 -0.015 0.000 1.874 188 K HN 0.254 8.550 8.250 0.077 0.000 0.277 189 D N 0.402 120.878 120.400 0.127 0.000 2.710 189 D HA 0.282 5.031 4.640 0.181 0.000 0.276 189 D C -1.821 174.542 176.300 0.104 0.000 1.267 189 D CA -0.711 53.370 54.000 0.135 0.000 0.772 189 D CB 3.883 44.744 40.800 0.103 0.000 1.299 189 D HN -0.150 8.271 8.370 0.085 0.000 0.421 190 S N -1.223 114.553 115.700 0.126 0.000 2.713 190 S HA 0.318 4.902 4.470 0.083 -0.065 0.277 190 S C -1.471 173.171 174.600 0.070 0.000 1.168 190 S CA -0.391 57.875 58.200 0.109 0.000 0.994 190 S CB 1.778 65.088 63.200 0.183 0.000 1.054 190 S HN 0.237 8.640 8.310 0.154 0.000 0.555 191 c N -1.392 117.253 118.600 0.075 0.000 3.295 191 c HA 0.229 4.835 4.570 0.060 0.000 0.341 191 c C -1.360 172.804 174.090 0.123 0.000 1.418 191 c CA -0.669 55.703 56.329 0.071 0.000 1.240 191 c CB 2.941 45.474 42.510 0.037 0.000 1.562 191 c HN 0.221 8.729 8.230 0.094 -0.222 0.457 192 Q N 1.330 121.216 119.800 0.144 0.000 2.283 192 Q HA -0.266 4.206 4.340 0.221 0.000 0.301 192 Q C 0.812 176.991 176.000 0.298 0.000 1.063 192 Q CA 1.279 57.212 55.803 0.217 0.000 0.952 192 Q CB -0.759 28.110 28.738 0.218 0.000 1.166 192 Q HN 0.569 8.908 8.270 0.114 0.000 0.381 193 G N 5.619 114.602 108.800 0.306 0.000 2.339 193 G HA2 -0.427 3.723 3.960 0.316 0.000 0.209 193 G HA3 -0.427 3.847 3.960 0.523 0.000 0.209 193 G C 0.646 175.762 174.900 0.361 0.000 1.015 193 G CA 0.681 46.013 45.100 0.387 0.000 0.635 193 G HN 0.837 9.290 8.290 0.271 0.000 0.499 194 D N 3.214 123.774 120.400 0.267 0.000 2.277 194 D HA -0.013 4.764 4.640 0.229 0.000 0.208 194 D C 0.294 176.704 176.300 0.183 0.000 0.962 194 D CA 1.426 55.550 54.000 0.208 0.000 0.865 194 D CB 0.301 41.190 40.800 0.147 0.000 0.939 194 D HN 0.151 8.568 8.370 0.241 0.098 0.510 195 S N -0.386 115.426 115.700 0.187 0.000 3.129 195 S HA -0.440 4.304 4.470 0.227 -0.137 0.371 195 S C 1.188 175.824 174.600 0.060 0.000 1.196 195 S CA 1.950 60.251 58.200 0.169 0.000 0.989 195 S CB -1.018 62.303 63.200 0.201 0.000 0.695 195 S HN -0.514 7.947 8.310 0.213 -0.023 0.499 196 G N 5.065 113.895 108.800 0.050 0.000 2.267 196 G HA2 -0.477 3.555 3.960 0.012 0.000 0.257 196 G HA3 -0.477 3.572 3.960 -0.034 -0.110 0.257 196 G C 0.277 175.225 174.900 0.080 0.000 0.998 196 G CA 0.361 45.472 45.100 0.018 0.000 0.620 196 G HN 0.883 9.134 8.290 0.112 0.106 0.529 197 G N 1.504 110.373 108.800 0.115 0.000 2.699 197 G HA2 0.086 4.130 3.960 0.140 0.000 0.246 197 G HA3 0.086 4.220 3.960 0.140 -0.090 0.246 197 G C -2.420 172.570 174.900 0.149 0.000 1.219 197 G CA -1.467 43.715 45.100 0.138 0.000 0.866 197 G HN -0.132 8.004 8.290 0.119 0.225 0.572 198 P HA 0.306 4.802 4.420 0.127 0.000 0.281 198 P C -1.526 175.843 177.300 0.116 0.000 1.249 198 P CA -0.848 62.343 63.100 0.150 0.000 0.810 198 P CB 1.804 33.642 31.700 0.229 0.000 1.008 199 V N 1.557 121.516 119.914 0.075 0.000 2.445 199 V HA 0.400 4.720 4.120 -0.004 -0.202 0.283 199 V C -1.257 174.846 176.094 0.014 0.000 1.014 199 V CA -0.416 61.893 62.300 0.015 0.000 0.852 199 V CB 1.556 33.361 31.823 -0.031 0.000 1.021 199 V HN -0.290 7.945 8.190 0.075 0.000 0.435 200 V N 7.811 127.727 119.914 0.003 0.000 2.398 200 V HA 0.646 4.914 4.120 -0.063 -0.186 0.286 200 V C -1.214 174.866 176.094 -0.023 0.000 1.026 200 V CA -1.267 61.010 62.300 -0.038 0.000 0.868 200 V CB 2.440 34.220 31.823 -0.072 0.000 0.982 200 V HN 0.764 8.972 8.190 0.031 0.000 0.443 201 c N 6.563 125.137 118.600 -0.043 0.000 2.431 201 c HA 0.593 5.248 4.570 -0.026 -0.101 0.321 201 c C 0.614 174.678 174.090 -0.044 0.000 1.202 201 c CA -1.606 54.697 56.329 -0.043 0.000 1.398 201 c CB 1.408 43.873 42.510 -0.074 0.000 2.047 201 c HN 0.297 8.494 8.230 -0.056 0.000 0.465 202 S N 3.461 119.144 115.700 -0.028 0.000 3.533 202 S HA -0.419 4.043 4.470 -0.014 0.000 0.347 202 S C -0.170 174.414 174.600 -0.025 0.000 1.101 202 S CA 0.973 59.159 58.200 -0.024 0.000 1.009 202 S CB -1.070 62.110 63.200 -0.032 0.000 0.916 202 S HN 1.148 9.447 8.310 -0.018 0.000 0.496 203 G N -4.163 104.621 108.800 -0.027 0.000 2.195 203 G HA2 -0.429 3.515 3.960 -0.027 0.000 0.246 203 G HA3 -0.429 3.517 3.960 -0.024 0.000 0.246 203 G C -1.447 173.412 174.900 -0.069 0.000 0.984 203 G CA -0.012 45.066 45.100 -0.036 0.000 0.633 203 G HN -0.066 8.186 8.290 -0.022 0.024 0.525 210 Q N 1.315 121.131 119.800 0.027 0.000 2.391 210 Q HA 0.243 4.609 4.340 0.044 0.000 0.243 210 Q C -0.402 175.751 176.000 0.254 0.000 0.874 210 Q CA -0.021 55.817 55.803 0.059 0.000 0.950 210 Q CB 3.212 31.910 28.738 -0.066 0.000 1.103 210 Q HN 0.492 8.774 8.270 0.020 0.000 0.544 211 G N -2.981 105.996 108.800 0.295 0.000 2.694 211 G HA2 0.585 5.060 3.960 0.440 0.000 0.290 211 G HA3 0.585 4.811 3.960 0.443 0.000 0.290 211 G C -3.276 171.759 174.900 0.224 0.000 1.386 211 G CA -0.811 44.516 45.100 0.377 0.000 0.872 211 G HN -0.461 7.938 8.290 0.182 0.000 0.475 212 I N -1.526 119.175 120.570 0.218 0.000 2.509 212 I HA 0.577 5.063 4.170 0.169 -0.214 0.293 212 I C -0.398 175.855 176.117 0.228 0.000 1.020 212 I CA -1.631 59.777 61.300 0.179 0.000 1.088 212 I CB 4.425 42.495 38.000 0.118 0.000 1.267 212 I HN -0.460 7.963 8.210 0.213 -0.086 0.430 213 V N 6.650 126.701 119.914 0.229 0.000 2.450 213 V HA -0.177 4.028 4.120 0.142 0.000 0.281 213 V C -1.185 174.969 176.094 0.099 0.000 1.019 213 V CA 1.866 64.264 62.300 0.163 0.000 1.062 213 V CB -1.184 30.751 31.823 0.187 0.000 0.979 213 V HN 0.361 8.564 8.190 0.199 0.107 0.477 214 S N 8.130 123.783 115.700 -0.078 0.000 2.998 214 S HA 0.425 5.225 4.470 0.392 -0.095 0.208 214 S C -0.833 173.792 174.600 0.042 0.000 0.876 214 S CA 0.915 59.179 58.200 0.108 0.000 0.836 214 S CB 2.119 65.370 63.200 0.084 0.000 0.817 214 S HN -0.145 7.919 8.310 -0.409 0.000 0.631 215 W N -4.146 116.958 121.300 -0.327 0.000 3.003 215 W HA 0.316 4.821 4.660 -0.259 0.000 0.362 215 W C -3.032 173.298 176.519 -0.315 0.000 1.213 215 W CA -0.873 56.287 57.345 -0.307 0.000 1.157 215 W CB 0.818 30.097 29.460 -0.303 0.000 1.493 215 W HN -0.252 7.581 8.180 -0.578 0.000 0.589 216 G N -2.862 105.985 108.800 0.078 0.000 2.554 216 G HA2 0.317 4.061 3.960 -0.360 0.000 0.306 216 G HA3 0.317 4.239 3.960 -0.063 0.000 0.306 216 G C -2.265 172.765 174.900 0.216 0.000 1.320 216 G CA -0.076 44.994 45.100 -0.050 0.000 0.800 216 G HN -0.004 8.472 8.290 0.310 0.000 0.481 220 c N 1.993 120.627 118.600 0.056 0.000 3.465 220 c HA 0.300 5.059 4.570 0.055 -0.157 0.193 220 c C -1.352 172.766 174.090 0.046 0.000 1.515 220 c CA -1.163 55.195 56.329 0.049 0.000 1.340 220 c CB -1.624 40.907 42.510 0.034 0.000 1.928 220 c HN 0.300 8.559 8.230 0.049 0.000 0.510 221 Q N -1.602 118.229 119.800 0.052 0.000 2.920 221 Q HA 0.092 4.452 4.340 0.032 0.000 0.255 221 Q C -1.318 174.703 176.000 0.034 0.000 0.976 221 Q CA -0.477 55.349 55.803 0.038 0.000 0.862 221 Q CB 2.344 31.105 28.738 0.037 0.000 1.952 221 Q HN -0.017 8.289 8.270 0.060 0.000 0.489 222 K N 4.264 124.678 120.400 0.023 0.000 2.448 222 K HA -0.301 4.243 4.320 0.032 -0.204 0.278 222 K C 0.043 176.638 176.600 -0.007 0.000 1.009 222 K CA 1.035 57.332 56.287 0.017 0.000 0.995 222 K CB 0.139 32.646 32.500 0.012 0.000 0.917 222 K HN 0.285 8.547 8.250 0.020 0.000 0.481 223 N N 2.600 121.291 118.700 -0.013 0.000 2.778 223 N HA -0.463 4.249 4.740 -0.047 0.000 0.249 223 N C -1.525 173.909 175.510 -0.127 0.000 1.069 223 N CA 2.046 55.061 53.050 -0.059 0.000 0.831 223 N CB -0.619 37.827 38.487 -0.068 0.000 1.142 223 N HN 0.825 9.088 8.380 0.009 0.123 0.573 224 K N -1.266 119.090 120.400 -0.074 0.000 2.762 224 K HA 0.533 4.667 4.320 -0.309 0.000 0.180 224 K C -2.373 174.271 176.600 0.073 0.000 1.067 224 K CA -3.751 52.491 56.287 -0.074 0.000 0.973 224 K CB 0.129 32.638 32.500 0.015 0.000 1.290 224 K HN -0.632 7.537 8.250 -0.018 0.071 0.604 225 P HA -0.094 4.377 4.420 0.086 0.000 0.271 225 P C -0.658 176.677 177.300 0.058 0.000 1.244 225 P CA -0.351 62.803 63.100 0.089 0.000 0.793 225 P CB 1.084 32.823 31.700 0.065 0.000 0.984 226 G N -2.789 106.016 108.800 0.008 0.000 2.476 226 G HA2 0.271 4.043 3.960 -0.314 0.000 0.269 226 G HA3 0.271 4.179 3.960 -0.211 -0.074 0.269 226 G C -1.552 173.012 174.900 -0.560 0.000 1.195 226 G CA -0.635 44.307 45.100 -0.264 0.000 0.843 226 G HN -0.470 7.879 8.290 0.098 0.000 0.545 227 V N 2.002 121.276 119.914 -1.068 0.000 2.555 227 V HA 0.585 4.427 4.120 -0.729 -0.160 0.302 227 V C -0.869 174.431 176.094 -1.322 0.000 1.038 227 V CA -1.050 60.569 62.300 -1.136 0.000 0.887 227 V CB 2.122 32.845 31.823 -1.833 0.000 0.991 227 V HN 0.720 8.168 8.190 -1.072 0.099 0.434 228 Y N 4.790 124.670 120.300 -0.700 0.000 2.524 228 Y HA 0.552 5.017 4.550 -0.367 -0.135 0.344 228 Y C 0.391 176.037 175.900 -0.424 0.000 1.012 228 Y CA -2.184 55.538 58.100 -0.630 0.000 1.068 228 Y CB 3.709 41.522 38.460 -1.079 0.000 1.249 228 Y HN 1.061 8.937 8.280 -0.673 0.000 0.468 229 T N 4.287 118.837 114.554 -0.007 0.000 2.884 229 T HA 0.009 4.575 4.350 0.138 -0.133 0.298 229 T C -0.635 174.245 174.700 0.300 0.000 0.998 229 T CA 1.373 63.554 62.100 0.135 0.000 1.124 229 T CB 0.578 69.511 68.868 0.109 0.000 0.931 229 T HN 0.296 8.561 8.240 0.042 0.000 0.531 230 K N 7.984 128.633 120.400 0.414 0.000 2.150 230 K HA 0.136 4.873 4.320 0.694 0.000 0.261 230 K C 0.897 177.750 176.600 0.421 0.000 1.127 230 K CA -0.813 55.768 56.287 0.491 0.000 0.989 230 K CB -0.424 32.297 32.500 0.368 0.000 1.475 230 K HN 0.108 8.466 8.250 0.364 0.110 0.391 231 V N 5.316 125.468 119.914 0.396 0.000 2.453 231 V HA -0.525 3.931 4.120 0.561 0.000 0.252 231 V C 1.374 177.632 176.094 0.273 0.000 1.068 231 V CA 3.652 66.179 62.300 0.378 0.000 1.070 231 V CB -0.316 31.646 31.823 0.232 0.000 0.664 231 V HN 0.133 8.563 8.190 0.402 0.000 0.461 232 c N -4.201 114.485 118.600 0.143 0.000 2.409 232 c HA -0.193 4.414 4.570 0.062 0.000 0.288 232 c C 1.317 175.416 174.090 0.014 0.000 1.395 232 c CA 1.275 57.638 56.329 0.057 0.000 1.792 232 c CB -2.164 40.347 42.510 0.001 0.000 1.847 232 c HN 0.483 8.771 8.230 0.133 0.022 0.534 233 N N 0.501 119.170 118.700 -0.052 0.000 2.398 233 N HA -0.025 4.611 4.740 -0.173 0.000 0.188 233 N C 0.055 175.300 175.510 -0.442 0.000 1.122 233 N CA 0.719 53.597 53.050 -0.287 0.000 0.866 233 N CB -0.151 38.029 38.487 -0.512 0.000 0.970 233 N HN -0.360 7.985 8.380 0.027 0.051 0.462 234 Y N -4.568 115.799 120.300 0.112 0.000 2.500 234 Y HA 0.175 4.864 4.550 0.232 0.000 0.246 234 Y C 0.041 176.066 175.900 0.208 0.000 1.146 234 Y CA -0.725 57.499 58.100 0.207 0.000 1.230 234 Y CB 0.247 38.863 38.460 0.260 0.000 1.214 234 Y HN -0.044 8.142 8.280 0.171 0.197 0.526 235 V N 0.896 120.941 119.914 0.219 0.000 2.287 235 V HA -0.573 3.625 4.120 0.130 0.000 0.248 235 V C 1.460 177.616 176.094 0.103 0.000 1.053 235 V CA 5.083 67.463 62.300 0.133 0.000 1.027 235 V CB -0.553 31.312 31.823 0.070 0.000 0.646 235 V HN -0.621 7.663 8.190 0.155 0.000 0.447 236 S N -0.581 115.186 115.700 0.111 0.000 2.383 236 S HA -0.311 4.179 4.470 0.034 0.000 0.227 236 S C 1.832 176.503 174.600 0.119 0.000 1.026 236 S CA 2.859 61.109 58.200 0.083 0.000 0.981 236 S CB -0.410 62.836 63.200 0.078 0.000 0.818 236 S HN 0.110 8.484 8.310 0.107 0.000 0.472 237 W N 3.705 125.048 121.300 0.071 0.000 2.379 237 W HA -0.225 4.462 4.660 0.045 0.000 0.307 237 W C 1.282 177.815 176.519 0.024 0.000 1.200 237 W CA 3.087 60.482 57.345 0.084 0.000 1.297 237 W CB -0.039 29.559 29.460 0.231 0.000 1.140 237 W HN -0.482 7.915 8.180 0.377 0.009 0.507 238 I N -0.300 120.205 120.570 -0.110 0.000 2.099 238 I HA -0.776 2.883 4.170 -0.851 0.000 0.239 238 I C 1.800 177.665 176.117 -0.420 0.000 1.066 238 I CA 4.635 65.682 61.300 -0.422 0.000 1.324 238 I CB -0.266 37.655 38.000 -0.132 0.000 1.037 238 I HN 0.403 8.754 8.210 0.234 0.000 0.401 239 K N -2.090 118.173 120.400 -0.228 0.000 2.103 239 K HA -0.477 3.691 4.320 -0.252 0.000 0.207 239 K C 2.624 179.084 176.600 -0.233 0.000 1.048 239 K CA 3.695 59.855 56.287 -0.212 0.000 0.930 239 K CB -0.442 31.993 32.500 -0.108 0.000 0.716 239 K HN -0.035 8.142 8.250 -0.122 0.000 0.444 240 Q N -1.136 118.540 119.800 -0.207 0.000 2.123 240 Q HA -0.257 4.005 4.340 -0.130 0.000 0.199 240 Q C 2.163 178.005 176.000 -0.265 0.000 0.966 240 Q CA 3.519 59.218 55.803 -0.172 0.000 0.845 240 Q CB -0.100 28.587 28.738 -0.084 0.000 0.907 240 Q HN -0.064 8.089 8.270 -0.175 0.012 0.439 241 T N 2.375 116.658 114.554 -0.451 0.000 2.777 241 T HA -0.293 3.851 4.350 -0.343 0.000 0.266 241 T C 2.083 176.428 174.700 -0.592 0.000 1.040 241 T CA 5.109 66.885 62.100 -0.539 0.000 1.141 241 T CB -0.148 68.165 68.868 -0.926 0.000 0.868 241 T HN 0.043 7.962 8.240 -0.534 0.000 0.444 242 I N -3.765 116.327 120.570 -0.797 0.000 2.546 242 I HA -0.045 3.243 4.170 -1.470 0.000 0.255 242 I C 1.094 176.980 176.117 -0.386 0.000 1.163 242 I CA 2.518 63.195 61.300 -1.037 0.000 1.457 242 I CB -0.309 36.882 38.000 -1.348 0.000 1.092 242 I HN 0.018 7.780 8.210 -0.747 0.000 0.434 243 A N 0.285 122.945 122.820 -0.267 0.000 2.067 243 A HA -0.093 4.190 4.320 -0.063 0.000 0.217 243 A C 0.830 178.384 177.584 -0.051 0.000 1.156 243 A CA 1.874 53.846 52.037 -0.109 0.000 0.683 243 A CB -0.093 18.851 19.000 -0.093 0.000 0.808 243 A HN -0.350 7.593 8.150 -0.314 0.018 0.455 244 S N -3.000 112.656 115.700 -0.073 0.000 2.583 244 S HA 0.162 4.632 4.470 0.000 0.000 0.239 244 S C -1.107 173.513 174.600 0.034 0.000 0.966 244 S CA 0.318 58.508 58.200 -0.017 0.000 0.973 244 S CB 0.277 63.458 63.200 -0.031 0.000 0.794 244 S HN -0.482 7.612 8.310 -0.143 0.130 0.463 245 N N 0.000 118.759 118.700 0.099 0.000 1.763 245 N HA 0.000 4.830 4.740 0.151 0.000 0.220 245 N CA 0.000 53.185 53.050 0.226 0.000 0.885 245 N CB 0.000 38.683 38.487 0.326 0.000 1.341 245 N HN 0.000 8.365 8.380 0.087 0.067 0.667