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 1gi1_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 4.175 4.170 0.008 0.000 0.288 16 I C 0.000 176.099 176.117 -0.030 0.000 1.063 16 I CA 0.000 61.284 61.300 -0.026 0.000 1.566 16 I CB 0.000 37.958 38.000 -0.069 0.000 1.214 17 V N 5.393 125.304 119.914 -0.004 0.000 2.483 17 V HA 0.265 4.508 4.120 -0.022 -0.136 0.295 17 V C 0.602 176.699 176.094 0.006 0.000 1.035 17 V CA -1.693 60.603 62.300 -0.006 0.000 0.896 17 V CB 1.347 33.173 31.823 0.005 0.000 0.986 17 V HN 0.884 9.085 8.190 0.020 0.000 0.447 18 G N 6.915 115.713 108.800 -0.004 0.000 2.198 18 G HA2 -0.400 3.557 3.960 -0.006 0.000 0.260 18 G HA3 -0.400 3.700 3.960 -0.017 -0.150 0.260 18 G C -0.741 174.172 174.900 0.021 0.000 1.025 18 G CA 0.554 45.652 45.100 -0.004 0.000 0.769 18 G HN 0.800 9.084 8.290 -0.010 0.000 0.507 19 G N -1.227 107.584 108.800 0.020 0.000 2.702 19 G HA2 0.539 4.574 3.960 0.125 0.000 0.254 19 G HA3 0.539 4.563 3.960 -0.063 -0.102 0.254 19 G C -1.787 173.171 174.900 0.097 0.000 1.380 19 G CA -1.066 44.057 45.100 0.038 0.000 1.042 19 G HN -0.637 7.625 8.290 -0.005 0.025 0.557 20 Y N -6.064 114.218 120.300 -0.030 0.000 2.609 20 Y HA 0.408 4.942 4.550 -0.028 0.000 0.342 20 Y C -1.868 174.007 175.900 -0.041 0.000 1.058 20 Y CA -2.845 55.237 58.100 -0.031 0.000 1.055 20 Y CB 1.220 39.666 38.460 -0.025 0.000 1.292 20 Y HN 0.310 8.330 8.280 -0.434 0.000 0.476 21 T N 2.978 117.559 114.554 0.046 0.000 2.779 21 T HA 0.114 4.520 4.350 -0.125 -0.131 0.296 21 T C -0.003 174.689 174.700 -0.013 0.000 0.938 21 T CA 1.180 63.258 62.100 -0.036 0.000 1.119 21 T CB -0.124 68.758 68.868 0.025 0.000 0.891 21 T HN 0.113 8.447 8.240 0.156 0.000 0.526 22 c N 6.616 125.117 118.600 -0.165 0.000 2.413 22 c HA -0.188 4.341 4.570 -0.068 0.000 0.276 22 c C 0.401 174.499 174.090 0.014 0.000 1.236 22 c CA 1.171 57.437 56.329 -0.104 0.000 1.735 22 c CB -0.333 42.057 42.510 -0.199 0.000 2.031 22 c HN 0.359 8.445 8.230 -0.239 0.000 0.474 23 G N -2.638 106.155 108.800 -0.010 0.000 2.742 23 G HA2 -0.250 3.723 3.960 0.021 0.000 0.686 23 G HA3 -0.250 3.727 3.960 0.028 0.000 0.686 23 G C -1.896 173.001 174.900 -0.005 0.000 1.220 23 G CA -0.724 44.384 45.100 0.013 0.000 0.783 23 G HN -0.535 7.729 8.290 -0.043 0.000 0.646 24 A N 3.655 126.481 122.820 0.010 0.000 2.561 24 A HA -0.237 4.237 4.320 0.023 -0.139 0.251 24 A C -0.436 177.150 177.584 0.004 0.000 1.062 24 A CA 1.004 53.051 52.037 0.016 0.000 0.761 24 A CB 0.081 19.097 19.000 0.027 0.000 0.986 24 A HN 0.338 8.499 8.150 0.018 0.000 0.510 25 N N -3.378 115.321 118.700 -0.003 0.000 2.708 25 N HA -0.405 4.318 4.740 -0.029 0.000 0.249 25 N C 0.233 175.719 175.510 -0.040 0.000 1.097 25 N CA 1.466 54.504 53.050 -0.019 0.000 0.710 25 N CB -1.056 37.432 38.487 0.002 0.000 1.032 25 N HN 0.556 8.941 8.380 0.008 0.000 0.551 26 T N -4.082 110.440 114.554 -0.053 0.000 3.107 26 T HA -0.017 4.321 4.350 -0.019 0.000 0.249 26 T C -0.604 174.038 174.700 -0.097 0.000 1.096 26 T CA 1.056 63.131 62.100 -0.041 0.000 1.012 26 T CB 0.569 69.430 68.868 -0.011 0.000 0.977 26 T HN -0.471 7.709 8.240 -0.058 0.026 0.527 27 V N 2.006 121.796 119.914 -0.207 0.000 2.320 27 V HA 0.345 4.195 4.120 -0.450 0.000 0.257 27 V C -1.183 174.562 176.094 -0.582 0.000 0.996 27 V CA -3.646 58.371 62.300 -0.471 0.000 0.928 27 V CB 1.049 32.589 31.823 -0.472 0.000 1.169 27 V HN -0.482 7.535 8.190 -0.179 0.066 0.475 28 P HA 0.039 4.492 4.420 -0.116 -0.103 0.226 28 P C 0.196 177.427 177.300 -0.115 0.000 1.153 28 P CA 1.653 64.656 63.100 -0.161 0.000 0.777 28 P CB 0.119 31.812 31.700 -0.012 0.000 0.794 29 Y N -5.995 114.330 120.300 0.042 0.000 2.466 29 Y HA 0.466 5.178 4.550 0.058 -0.128 0.272 29 Y C -0.562 175.376 175.900 0.063 0.000 1.169 29 Y CA -3.123 55.008 58.100 0.052 0.000 1.285 29 Y CB -1.353 37.134 38.460 0.044 0.000 1.078 29 Y HN -0.427 7.179 8.280 -1.027 0.057 0.523 30 Q N 2.702 122.363 119.800 -0.231 0.000 2.304 30 Q HA 0.195 4.711 4.340 0.086 -0.125 0.260 30 Q C -0.390 175.693 176.000 0.137 0.000 0.965 30 Q CA 0.086 55.866 55.803 -0.037 0.000 0.898 30 Q CB 1.270 29.879 28.738 -0.216 0.000 1.196 30 Q HN -0.587 7.316 8.270 -0.505 0.063 0.402 31 V N 0.756 120.795 119.914 0.208 0.000 3.074 31 V HA 0.828 5.207 4.120 0.227 -0.123 0.314 31 V C -2.044 174.227 176.094 0.295 0.000 1.117 31 V CA -2.946 59.484 62.300 0.218 0.000 1.014 31 V CB 4.133 36.032 31.823 0.127 0.000 1.057 31 V HN 0.176 8.484 8.190 0.196 0.000 0.438 32 S N 1.184 116.972 115.700 0.146 0.000 2.473 32 S HA 0.406 5.132 4.470 0.245 -0.109 0.307 32 S C -1.279 173.245 174.600 -0.127 0.000 1.094 32 S CA -1.826 56.401 58.200 0.045 0.000 1.070 32 S CB 1.701 64.715 63.200 -0.310 0.000 1.019 32 S HN 0.248 8.606 8.310 0.081 0.000 0.480 33 L N 6.419 127.446 121.223 -0.326 0.000 2.275 33 L HA 0.508 4.812 4.340 -0.269 -0.126 0.288 33 L C -1.565 174.955 176.870 -0.583 0.000 1.046 33 L CA -0.832 53.708 54.840 -0.499 0.000 0.805 33 L CB 0.846 42.398 42.059 -0.845 0.000 1.193 33 L HN 0.795 8.794 8.230 -0.384 0.000 0.426 38 G N 0.524 109.086 108.800 -0.396 0.000 2.238 38 G HA2 -0.286 3.602 3.960 -0.120 0.000 0.217 38 G HA3 -0.286 3.623 3.960 -0.084 0.000 0.217 38 G C -1.972 172.895 174.900 -0.054 0.000 0.996 38 G CA 0.265 45.256 45.100 -0.181 0.000 0.632 38 G HN 0.209 8.625 8.290 -0.324 -0.320 0.503 39 Y N -6.822 113.457 120.300 -0.036 0.000 2.677 39 Y HA 0.225 4.742 4.550 -0.055 0.000 0.334 39 Y C -2.448 173.474 175.900 0.037 0.000 1.196 39 Y CA -3.431 54.655 58.100 -0.022 0.000 1.059 39 Y CB 0.870 39.315 38.460 -0.024 0.000 1.315 39 Y HN -1.256 6.514 8.280 -0.833 0.010 0.455 40 H N 2.392 121.496 119.070 0.056 0.000 2.848 40 H HA -0.007 4.613 4.556 -0.185 -0.174 0.317 40 H C -0.268 175.168 175.328 0.179 0.000 1.046 40 H CA -0.051 55.968 56.048 -0.049 0.000 1.470 40 H CB 0.222 29.892 29.762 -0.152 0.000 1.483 40 H HN 0.319 8.743 8.280 0.239 0.000 0.548 41 F N 2.568 122.155 119.950 -0.605 0.000 2.880 41 F HA 0.328 4.804 4.527 -0.086 0.000 0.346 41 F C -1.548 174.025 175.800 -0.378 0.000 1.054 41 F CA -0.810 57.017 58.000 -0.288 0.000 1.151 41 F CB 1.491 40.465 39.000 -0.043 0.000 1.066 41 F HN 0.208 7.886 8.300 -1.037 0.000 0.566 42 c N -1.451 116.444 118.600 -1.175 0.000 3.312 42 c HA 0.322 4.804 4.570 -0.226 -0.047 0.332 42 c C -1.695 172.197 174.090 -0.329 0.000 1.340 42 c CA -0.132 55.858 56.329 -0.565 0.000 1.265 42 c CB 3.942 46.149 42.510 -0.505 0.000 1.563 42 c HN -0.811 6.449 8.230 -1.616 0.000 0.471 43 G N -0.846 107.951 108.800 -0.005 0.000 2.552 43 G HA2 0.793 5.072 3.960 0.274 0.000 0.318 43 G HA3 0.793 4.883 3.960 0.216 0.000 0.318 43 G C -2.467 172.461 174.900 0.046 0.000 1.240 43 G CA -1.532 43.662 45.100 0.156 0.000 1.002 43 G HN 0.845 9.028 8.290 -0.000 0.107 0.493 44 G N -4.007 104.856 108.800 0.104 0.000 2.506 44 G HA2 0.522 4.803 3.960 0.077 0.000 0.292 44 G HA3 0.522 4.520 3.960 0.063 0.000 0.292 44 G C -2.941 172.046 174.900 0.145 0.000 1.425 44 G CA 0.320 45.474 45.100 0.090 0.000 0.788 44 G HN -0.625 7.762 8.290 0.162 0.000 0.490 45 S N -0.726 115.065 115.700 0.152 0.000 2.538 45 S HA 0.844 5.684 4.470 0.265 -0.211 0.288 45 S C -1.402 173.304 174.600 0.176 0.000 1.108 45 S CA -0.863 57.460 58.200 0.205 0.000 0.971 45 S CB 4.003 67.314 63.200 0.185 0.000 1.041 45 S HN 0.277 8.664 8.310 0.128 0.000 0.483 46 L N 6.082 127.427 121.223 0.202 0.000 2.313 46 L HA 0.168 4.718 4.340 0.151 -0.119 0.282 46 L C -0.530 176.428 176.870 0.146 0.000 1.092 46 L CA -0.117 54.822 54.840 0.166 0.000 0.831 46 L CB 0.912 43.069 42.059 0.163 0.000 1.159 46 L HN 0.452 8.731 8.230 0.261 0.107 0.442 47 I N 0.834 121.485 120.570 0.134 0.000 3.854 47 I HA 0.519 4.885 4.170 0.066 -0.156 0.312 47 I C -0.914 175.258 176.117 0.092 0.000 1.273 47 I CA -0.493 60.862 61.300 0.092 0.000 1.298 47 I CB 0.829 38.873 38.000 0.073 0.000 1.071 47 I HN 0.317 8.623 8.210 0.161 0.000 0.428 48 N N -1.812 116.966 118.700 0.131 0.000 3.179 48 N HA 0.129 4.924 4.740 0.092 0.000 0.250 48 N C -0.301 175.288 175.510 0.132 0.000 1.507 48 N CA -0.623 52.501 53.050 0.123 0.000 0.883 48 N CB 0.603 39.169 38.487 0.131 0.000 1.435 48 N HN -0.882 7.593 8.380 0.159 0.000 0.532 49 S N -3.245 112.519 115.700 0.108 0.000 2.469 49 S HA -0.350 4.163 4.470 0.071 0.000 0.238 49 S C 0.811 175.448 174.600 0.062 0.000 0.998 49 S CA 2.842 61.089 58.200 0.078 0.000 0.957 49 S CB -0.104 63.131 63.200 0.058 0.000 0.764 49 S HN 0.377 8.747 8.310 0.099 0.000 0.514 50 Q N -1.154 118.702 119.800 0.093 0.000 2.140 50 Q HA 0.354 4.648 4.340 -0.077 0.000 0.227 50 Q C -2.008 173.876 176.000 -0.193 0.000 0.798 50 Q CA -0.347 55.422 55.803 -0.055 0.000 0.987 50 Q CB 2.892 31.567 28.738 -0.105 0.000 1.161 50 Q HN 0.019 8.693 8.270 0.184 -0.294 0.480 51 W N -1.600 119.705 121.300 0.009 0.000 2.915 51 W HA 0.678 5.537 4.660 0.004 -0.197 0.337 51 W C -1.533 174.998 176.519 0.020 0.000 1.102 51 W CA -1.078 56.270 57.345 0.004 0.000 1.224 51 W CB 3.722 33.171 29.460 -0.017 0.000 1.416 51 W HN -0.120 8.369 8.180 0.267 -0.148 0.503 52 V N 1.545 121.616 119.914 0.261 0.000 2.680 52 V HA 0.729 5.129 4.120 0.171 -0.178 0.309 52 V C -1.391 174.816 176.094 0.189 0.000 1.052 52 V CA -1.561 60.846 62.300 0.179 0.000 0.908 52 V CB 3.330 35.217 31.823 0.106 0.000 1.001 52 V HN 0.833 9.184 8.190 0.269 0.000 0.431 53 V N 6.044 126.049 119.914 0.151 0.000 2.667 53 V HA 0.840 5.233 4.120 0.161 -0.177 0.308 53 V C -1.106 175.050 176.094 0.103 0.000 1.048 53 V CA -1.566 60.817 62.300 0.138 0.000 0.928 53 V CB 2.049 33.947 31.823 0.125 0.000 1.004 53 V HN 0.512 8.786 8.190 0.141 0.000 0.444 54 S N 2.774 118.522 115.700 0.081 0.000 2.843 54 S HA 0.516 5.203 4.470 0.038 -0.194 0.301 54 S C -1.984 172.614 174.600 -0.004 0.000 1.206 54 S CA -2.277 55.942 58.200 0.031 0.000 0.875 54 S CB 2.397 65.600 63.200 0.006 0.000 1.248 54 S HN 0.590 8.959 8.310 0.098 0.000 0.555 55 A N -0.143 122.635 122.820 -0.069 0.000 2.309 55 A HA 0.407 4.841 4.320 -0.084 -0.165 0.298 55 A C 0.683 178.156 177.584 -0.185 0.000 1.165 55 A CA -1.380 50.580 52.037 -0.129 0.000 0.821 55 A CB 1.191 20.053 19.000 -0.229 0.000 1.102 55 A HN 0.346 8.443 8.150 -0.088 0.000 0.500 56 A N 5.940 128.592 122.820 -0.280 0.000 1.972 56 A HA -0.250 3.917 4.320 -0.255 0.000 0.219 56 A C 1.409 178.759 177.584 -0.391 0.000 1.169 56 A CA 2.791 54.533 52.037 -0.492 0.000 0.635 56 A CB -0.363 17.908 19.000 -1.214 0.000 0.810 56 A HN 0.611 8.619 8.150 -0.265 -0.017 0.446 57 H N -4.411 114.496 119.070 -0.272 0.000 2.563 57 H HA -0.089 4.520 4.556 0.088 0.000 0.272 57 H C 0.187 175.574 175.328 0.099 0.000 1.005 57 H CA 1.583 57.644 56.048 0.022 0.000 1.171 57 H CB -1.293 28.547 29.762 0.129 0.000 1.351 57 H HN 0.114 8.610 8.280 -0.154 -0.308 0.602 58 c N -1.866 116.652 118.600 -0.137 0.000 2.697 58 c HA 0.018 4.649 4.570 0.102 0.000 0.267 58 c C 0.375 174.575 174.090 0.183 0.000 1.278 58 c CA 0.072 56.417 56.329 0.026 0.000 1.708 58 c CB -1.559 40.915 42.510 -0.059 0.000 1.860 58 c HN -0.241 7.670 8.230 -0.209 0.193 0.589 59 Y N 3.805 124.118 120.300 0.022 0.000 2.702 59 Y HA -0.238 4.345 4.550 0.056 0.000 0.336 59 Y C -0.801 175.101 175.900 0.003 0.000 1.235 59 Y CA 2.089 60.207 58.100 0.030 0.000 1.492 59 Y CB 0.646 39.104 38.460 -0.003 0.000 1.308 59 Y HN -0.360 7.839 8.280 0.169 0.182 0.589 60 K N 5.709 125.458 120.400 -1.084 0.000 2.711 60 K HA 0.155 3.884 4.320 -0.986 0.000 0.294 60 K C -2.446 173.650 176.600 -0.840 0.000 1.037 60 K CA -1.266 54.458 56.287 -0.938 0.000 0.858 60 K CB 1.926 34.062 32.500 -0.606 0.000 1.521 60 K HN 0.136 7.769 8.250 -1.028 0.000 0.386 61 S N -0.947 114.440 115.700 -0.522 0.000 2.654 61 S HA 0.029 4.356 4.470 -0.238 0.000 0.283 61 S C 1.015 175.486 174.600 -0.214 0.000 1.180 61 S CA -0.010 58.026 58.200 -0.274 0.000 1.021 61 S CB 0.686 63.795 63.200 -0.152 0.000 1.018 61 S HN 0.258 8.302 8.310 -0.444 0.000 0.532 62 G N 3.339 112.056 108.800 -0.138 0.000 2.324 62 G HA2 -0.234 3.672 3.960 -0.090 0.000 0.292 62 G HA3 -0.234 3.647 3.960 -0.131 0.000 0.292 62 G C -1.776 173.050 174.900 -0.123 0.000 1.079 62 G CA 0.179 45.206 45.100 -0.121 0.000 1.026 62 G HN 0.362 8.589 8.290 -0.105 0.000 0.506 63 I N -1.103 119.417 120.570 -0.083 0.000 2.385 63 I HA 0.146 4.442 4.170 -0.001 -0.126 0.294 63 I C -1.663 174.428 176.117 -0.043 0.000 0.988 63 I CA -0.937 60.348 61.300 -0.024 0.000 1.265 63 I CB 1.081 39.101 38.000 0.033 0.000 1.388 63 I HN -0.481 7.682 8.210 -0.078 0.000 0.480 64 Q N 6.688 126.453 119.800 -0.059 0.000 3.184 64 Q HA 0.572 4.975 4.340 -0.054 -0.095 0.236 64 Q C -1.675 174.275 176.000 -0.084 0.000 1.038 64 Q CA -1.961 53.796 55.803 -0.077 0.000 0.857 64 Q CB 4.336 33.001 28.738 -0.122 0.000 1.957 64 Q HN 0.653 8.892 8.270 -0.052 0.000 0.453 65 R N -2.403 118.093 120.500 -0.006 0.000 3.321 65 R HA 0.406 5.067 4.340 0.265 -0.162 0.285 65 R C -1.305 175.071 176.300 0.127 0.000 1.149 65 R CA 0.097 56.251 56.100 0.090 0.000 1.191 65 R CB 2.320 32.553 30.300 -0.110 0.000 1.276 65 R HN 0.611 8.853 8.270 -0.046 0.000 0.429 70 E N -0.718 119.587 120.200 0.175 0.000 2.277 70 E HA 0.163 4.605 4.350 0.153 0.000 0.274 70 E C -1.721 175.065 176.600 0.310 0.000 1.022 70 E CA 0.001 56.527 56.400 0.210 0.000 0.853 70 E CB 1.393 31.173 29.700 0.133 0.000 1.086 70 E HN -0.575 7.869 8.360 0.198 0.035 0.397 71 D N 2.117 122.670 120.400 0.254 0.000 3.106 71 D HA 0.073 4.907 4.640 0.322 0.000 0.216 71 D C -1.035 175.457 176.300 0.320 0.000 1.540 71 D CA 1.013 55.171 54.000 0.264 0.000 1.389 71 D CB 2.488 43.365 40.800 0.128 0.000 1.080 71 D HN 0.089 8.564 8.370 0.175 0.000 0.270 72 N N 1.155 119.957 118.700 0.170 0.000 2.401 72 N HA 0.230 5.216 4.740 0.170 -0.145 0.255 72 N C 2.134 177.652 175.510 0.013 0.000 1.110 72 N CA -0.735 52.385 53.050 0.117 0.000 0.949 72 N CB 0.519 39.053 38.487 0.077 0.000 1.110 72 N HN -0.257 8.540 8.380 0.127 -0.341 0.490 73 I N 0.085 120.576 120.570 -0.132 0.000 3.334 73 I HA -0.099 4.089 4.170 -0.241 -0.162 0.282 73 I C -0.469 175.561 176.117 -0.145 0.000 1.313 73 I CA 1.361 62.491 61.300 -0.283 0.000 1.396 73 I CB -0.930 36.677 38.000 -0.654 0.000 1.054 73 I HN 0.455 8.594 8.210 -0.119 0.000 0.495 74 N N -1.962 116.700 118.700 -0.063 0.000 2.184 74 N HA 0.179 4.894 4.740 -0.041 0.000 0.206 74 N C -1.026 174.487 175.510 0.006 0.000 1.151 74 N CA -0.173 52.861 53.050 -0.028 0.000 0.878 74 N CB 2.357 40.836 38.487 -0.012 0.000 1.014 74 N HN -0.044 8.612 8.380 -0.039 -0.299 0.512 75 V N 0.564 120.490 119.914 0.021 0.000 2.577 75 V HA 0.057 4.198 4.120 0.035 0.000 0.303 75 V C -1.414 174.714 176.094 0.057 0.000 1.042 75 V CA -1.001 61.321 62.300 0.037 0.000 0.872 75 V CB 3.118 34.961 31.823 0.033 0.000 0.998 75 V HN -0.713 7.502 8.190 0.015 -0.016 0.423 76 V N 7.801 127.753 119.914 0.063 0.000 2.405 76 V HA -0.212 4.173 4.120 0.096 -0.208 0.264 76 V C 0.291 176.400 176.094 0.026 0.000 1.048 76 V CA 0.824 63.161 62.300 0.062 0.000 0.966 76 V CB -0.356 31.496 31.823 0.049 0.000 1.015 76 V HN 0.325 8.548 8.190 0.055 0.000 0.477 77 E N 6.787 127.001 120.200 0.024 0.000 2.472 77 E HA 0.133 4.491 4.350 0.015 0.000 0.196 77 E C 0.325 176.924 176.600 -0.003 0.000 1.033 77 E CA -0.585 55.824 56.400 0.015 0.000 0.886 77 E CB 0.393 30.110 29.700 0.030 0.000 0.944 77 E HN 0.656 9.486 8.360 0.035 -0.448 0.492 78 G N -0.742 108.044 108.800 -0.024 0.000 2.380 78 G HA2 -0.126 3.803 3.960 -0.052 0.000 0.197 78 G HA3 -0.126 3.819 3.960 -0.024 0.000 0.197 78 G C -0.618 174.253 174.900 -0.048 0.000 1.001 78 G CA -0.016 45.061 45.100 -0.039 0.000 0.668 78 G HN -0.099 8.391 8.290 -0.031 -0.219 0.483 79 N N 0.077 118.757 118.700 -0.034 0.000 2.214 79 N HA 0.129 4.845 4.740 -0.040 0.000 0.214 79 N C -1.220 174.263 175.510 -0.046 0.000 1.132 79 N CA -0.216 52.815 53.050 -0.032 0.000 0.856 79 N CB 0.691 39.176 38.487 -0.002 0.000 1.020 79 N HN 0.230 8.601 8.380 -0.016 0.000 0.509 80 E N -0.018 120.125 120.200 -0.095 0.000 2.373 80 E HA 0.111 4.678 4.350 -0.013 -0.224 0.263 80 E C 0.221 176.665 176.600 -0.259 0.000 1.073 80 E CA 0.212 56.526 56.400 -0.143 0.000 0.894 80 E CB 0.565 30.108 29.700 -0.262 0.000 1.008 80 E HN -0.417 7.810 8.360 -0.107 0.069 0.420 81 Q N 1.301 121.013 119.800 -0.147 0.000 2.275 81 Q HA 0.299 4.516 4.340 -0.206 0.000 0.266 81 Q C -1.467 174.590 176.000 0.095 0.000 1.002 81 Q CA -1.004 54.737 55.803 -0.103 0.000 0.761 81 Q CB 2.771 31.500 28.738 -0.014 0.000 1.255 81 Q HN 0.240 8.516 8.270 0.009 0.000 0.446 82 F N 4.331 124.267 119.950 -0.025 0.000 2.426 82 F HA 0.509 5.200 4.527 -0.037 -0.185 0.348 82 F C -0.113 175.666 175.800 -0.034 0.000 1.124 82 F CA -3.311 54.669 58.000 -0.034 0.000 1.008 82 F CB 1.147 40.124 39.000 -0.038 0.000 1.139 82 F HN 0.398 8.641 8.300 -0.095 0.000 0.452 83 I N 3.853 124.507 120.570 0.141 0.000 2.619 83 I HA 0.218 4.419 4.170 0.050 0.000 0.292 83 I C -1.826 174.299 176.117 0.013 0.000 1.100 83 I CA -1.488 59.843 61.300 0.052 0.000 1.043 83 I CB 3.532 41.545 38.000 0.022 0.000 1.239 83 I HN 0.742 9.032 8.210 0.133 0.000 0.420 84 S N 4.704 120.400 115.700 -0.007 0.000 2.617 84 S HA 0.167 4.729 4.470 -0.033 -0.112 0.269 84 S C -0.187 174.382 174.600 -0.051 0.000 1.292 84 S CA 0.014 58.196 58.200 -0.031 0.000 1.010 84 S CB 0.885 64.066 63.200 -0.032 0.000 0.944 84 S HN 0.238 8.547 8.310 -0.003 0.000 0.536 85 A N 1.819 124.605 122.820 -0.056 0.000 2.354 85 A HA 0.364 4.757 4.320 -0.104 -0.135 0.269 85 A C -0.278 177.260 177.584 -0.078 0.000 1.109 85 A CA -0.586 51.406 52.037 -0.076 0.000 0.800 85 A CB 0.877 19.847 19.000 -0.050 0.000 1.045 85 A HN -0.297 7.824 8.150 -0.048 0.000 0.489 86 S N 2.108 117.742 115.700 -0.111 0.000 2.499 86 S HA 0.139 4.570 4.470 -0.065 0.000 0.225 86 S C 0.305 174.863 174.600 -0.070 0.000 1.050 86 S CA 1.174 59.319 58.200 -0.092 0.000 0.928 86 S CB 1.348 64.477 63.200 -0.120 0.000 0.803 86 S HN 0.751 8.856 8.310 -0.162 0.109 0.506 87 K N 0.051 120.398 120.400 -0.089 0.000 2.587 87 K HA 0.279 4.609 4.320 0.017 0.000 0.276 87 K C -2.484 174.125 176.600 0.016 0.000 0.956 87 K CA -0.145 56.131 56.287 -0.019 0.000 0.857 87 K CB 2.811 35.310 32.500 -0.001 0.000 1.431 87 K HN -0.743 7.419 8.250 -0.147 0.000 0.420 88 S N 1.491 117.253 115.700 0.104 0.000 2.513 88 S HA 0.867 5.604 4.470 0.160 -0.170 0.299 88 S C -0.709 174.001 174.600 0.183 0.000 1.087 88 S CA -0.854 57.451 58.200 0.175 0.000 1.012 88 S CB 2.420 65.787 63.200 0.277 0.000 1.044 88 S HN 0.166 8.544 8.310 0.114 0.000 0.485 89 I N 7.385 128.084 120.570 0.216 0.000 2.476 89 I HA 0.174 4.436 4.170 0.155 0.000 0.281 89 I C -1.658 174.605 176.117 0.244 0.000 1.040 89 I CA -0.562 60.868 61.300 0.218 0.000 1.094 89 I CB 2.593 40.750 38.000 0.261 0.000 1.219 89 I HN 0.990 9.346 8.210 0.243 0.000 0.450 90 V N 7.415 127.395 119.914 0.111 0.000 2.649 90 V HA -0.131 4.034 4.120 0.075 0.000 0.292 90 V C -0.445 175.703 176.094 0.090 0.000 1.055 90 V CA -0.771 61.558 62.300 0.048 0.000 1.023 90 V CB 0.941 32.692 31.823 -0.120 0.000 0.992 90 V HN 0.249 8.460 8.190 0.034 0.000 0.480 91 H N 8.232 127.234 119.070 -0.114 0.000 3.094 91 H HA -0.102 4.017 4.556 -0.729 0.000 0.320 91 H C 0.121 175.329 175.328 -0.200 0.000 1.000 91 H CA 0.451 56.228 56.048 -0.451 0.000 1.413 91 H CB 1.622 31.003 29.762 -0.636 0.000 1.405 91 H HN -0.220 8.073 8.280 0.022 0.000 0.586 92 P HA -0.135 4.232 4.420 -0.089 0.000 0.217 92 P C -0.416 176.882 177.300 -0.003 0.000 1.148 92 P CA 1.881 64.855 63.100 -0.210 0.000 0.828 92 P CB 0.248 31.801 31.700 -0.245 0.000 0.783 93 S N -2.571 113.256 115.700 0.212 0.000 2.583 93 S HA 0.098 4.617 4.470 0.081 0.000 0.239 93 S C -1.140 173.559 174.600 0.165 0.000 0.966 93 S CA -0.432 57.877 58.200 0.181 0.000 0.973 93 S CB 0.350 63.653 63.200 0.171 0.000 0.794 93 S HN -0.365 8.195 8.310 0.463 0.028 0.463 94 Y N 3.996 124.338 120.300 0.070 0.000 2.526 94 Y HA -0.286 4.425 4.550 -0.049 -0.191 0.330 94 Y C -0.788 175.100 175.900 -0.021 0.000 1.156 94 Y CA 0.781 58.875 58.100 -0.011 0.000 1.419 94 Y CB 0.784 39.237 38.460 -0.012 0.000 1.250 94 Y HN -0.717 7.680 8.280 0.311 0.069 0.540 95 N N 7.902 126.225 118.700 -0.628 0.000 2.518 95 N HA 0.226 4.679 4.740 -0.478 0.000 0.254 95 N C -0.089 174.880 175.510 -0.902 0.000 0.979 95 N CA -1.399 51.297 53.050 -0.589 0.000 0.930 95 N CB 1.137 39.449 38.487 -0.292 0.000 1.152 95 N HN -0.227 7.898 8.380 -0.426 0.000 0.505 96 S N 6.428 121.585 115.700 -0.904 0.000 2.481 96 S HA -0.080 4.011 4.470 -0.631 0.000 0.231 96 S C 0.765 175.184 174.600 -0.301 0.000 0.996 96 S CA 2.145 60.005 58.200 -0.566 0.000 0.942 96 S CB -0.101 62.958 63.200 -0.236 0.000 0.768 96 S HN 0.623 8.504 8.310 -0.716 0.000 0.520 97 N N 1.933 120.464 118.700 -0.282 0.000 2.290 97 N HA 0.021 4.645 4.740 -0.193 0.000 0.179 97 N C 1.240 176.594 175.510 -0.260 0.000 1.016 97 N CA 2.297 55.216 53.050 -0.218 0.000 0.871 97 N CB 0.335 38.720 38.487 -0.170 0.000 0.987 97 N HN -0.004 8.399 8.380 -0.308 -0.207 0.431 98 T N -4.171 110.222 114.554 -0.268 0.000 3.022 98 T HA 0.073 4.231 4.350 -0.321 0.000 0.250 98 T C 0.317 174.827 174.700 -0.318 0.000 1.060 98 T CA 0.242 62.176 62.100 -0.278 0.000 1.013 98 T CB 1.527 70.288 68.868 -0.178 0.000 0.982 98 T HN -0.628 7.688 8.240 -0.268 -0.236 0.508 99 L N -4.102 116.960 121.223 -0.269 0.000 4.291 99 L HA -0.511 3.913 4.340 0.053 -0.052 0.413 99 L C -1.849 175.041 176.870 0.033 0.000 1.162 99 L CA 0.522 55.305 54.840 -0.095 0.000 0.961 99 L CB -2.742 39.174 42.059 -0.238 0.000 2.095 99 L HN -0.161 7.887 8.230 -0.304 0.000 0.838 100 N N -0.821 117.860 118.700 -0.033 0.000 2.513 100 N HA -0.144 4.644 4.740 0.080 0.000 0.268 100 N C -0.158 175.394 175.510 0.069 0.000 1.180 100 N CA 0.687 53.755 53.050 0.031 0.000 0.948 100 N CB 1.061 39.542 38.487 -0.010 0.000 1.083 100 N HN -0.783 7.466 8.380 -0.125 0.056 0.455 101 N N -0.767 117.971 118.700 0.064 0.000 2.780 101 N HA -0.466 4.189 4.740 -0.141 0.000 0.247 101 N C -1.378 174.096 175.510 -0.060 0.000 1.076 101 N CA 1.328 54.313 53.050 -0.108 0.000 0.688 101 N CB -1.467 36.861 38.487 -0.266 0.000 0.957 101 N HN 0.658 9.097 8.380 0.097 0.000 0.551 102 D N -0.710 119.705 120.400 0.024 0.000 2.551 102 D HA 0.079 4.698 4.640 -0.036 0.000 0.223 102 D C -2.133 174.078 176.300 -0.147 0.000 1.144 102 D CA -0.233 53.778 54.000 0.017 0.000 1.025 102 D CB -0.685 40.229 40.800 0.191 0.000 1.085 102 D HN -0.108 8.293 8.370 0.050 0.000 0.506 103 I N 2.132 122.548 120.570 -0.258 0.000 2.841 103 I HA 0.707 5.008 4.170 -0.112 -0.199 0.298 103 I C -3.099 172.980 176.117 -0.064 0.000 1.304 103 I CA -1.353 59.833 61.300 -0.190 0.000 1.019 103 I CB 3.957 41.733 38.000 -0.374 0.000 1.282 103 I HN -0.232 7.765 8.210 -0.288 0.041 0.432 104 M N 6.129 125.774 119.600 0.075 0.000 2.569 104 M HA 0.650 5.438 4.480 0.321 -0.116 0.279 104 M C -2.877 173.573 176.300 0.250 0.000 1.253 104 M CA -0.966 54.453 55.300 0.197 0.000 0.867 104 M CB 5.001 37.651 32.600 0.083 0.000 1.727 104 M HN 0.536 8.863 8.290 0.061 0.000 0.467 105 L N 1.573 122.976 121.223 0.300 0.000 2.346 105 L HA 0.883 5.559 4.340 0.259 -0.180 0.274 105 L C -1.361 175.692 176.870 0.306 0.000 1.007 105 L CA -1.467 53.548 54.840 0.292 0.000 0.818 105 L CB 3.422 45.614 42.059 0.222 0.000 1.284 105 L HN 0.385 8.822 8.230 0.344 0.000 0.424 106 I N 0.937 121.671 120.570 0.274 0.000 2.466 106 I HA 0.538 4.920 4.170 0.082 -0.163 0.289 106 I C -1.770 174.268 176.117 -0.133 0.000 1.026 106 I CA -1.264 60.091 61.300 0.092 0.000 1.078 106 I CB 3.286 41.321 38.000 0.058 0.000 1.249 106 I HN 0.962 9.360 8.210 0.313 0.000 0.429 107 K N 6.853 126.976 120.400 -0.462 0.000 2.185 107 K HA 0.693 4.394 4.320 -1.313 -0.169 0.269 107 K C -1.112 175.197 176.600 -0.486 0.000 0.987 107 K CA -1.949 53.738 56.287 -1.000 0.000 0.865 107 K CB 3.082 34.772 32.500 -1.350 0.000 1.090 107 K HN 0.778 8.851 8.250 -0.295 0.000 0.450 108 L N 5.802 126.773 121.223 -0.420 0.000 2.395 108 L HA 0.084 4.446 4.340 -0.165 -0.121 0.269 108 L C 0.241 176.993 176.870 -0.197 0.000 1.133 108 L CA 0.180 54.889 54.840 -0.219 0.000 0.812 108 L CB 0.284 42.258 42.059 -0.141 0.000 1.125 108 L HN 0.692 8.493 8.230 -0.534 0.108 0.452 109 K N 1.227 121.552 120.400 -0.125 0.000 2.097 109 K HA -0.306 3.951 4.320 -0.106 0.000 0.206 109 K C -0.235 176.318 176.600 -0.078 0.000 1.049 109 K CA 2.471 58.702 56.287 -0.093 0.000 0.933 109 K CB 0.651 33.115 32.500 -0.060 0.000 0.717 109 K HN 0.683 8.871 8.250 -0.102 0.000 0.442 110 S N -3.956 111.704 115.700 -0.066 0.000 2.627 110 S HA 0.106 4.548 4.470 -0.047 0.000 0.283 110 S C -1.801 172.772 174.600 -0.045 0.000 1.127 110 S CA -0.897 57.275 58.200 -0.047 0.000 0.863 110 S CB 2.896 66.078 63.200 -0.029 0.000 1.121 110 S HN -0.584 7.684 8.310 -0.064 0.003 0.479 111 A N -0.311 122.492 122.820 -0.028 0.000 2.371 111 A HA 0.058 4.511 4.320 -0.023 -0.147 0.257 111 A C -0.146 177.436 177.584 -0.004 0.000 1.089 111 A CA -0.396 51.633 52.037 -0.014 0.000 0.794 111 A CB 0.741 19.743 19.000 0.003 0.000 1.029 111 A HN 0.161 8.298 8.150 -0.023 0.000 0.488 112 A N 1.841 124.666 122.820 0.007 0.000 2.332 112 A HA 0.212 4.613 4.320 0.007 -0.077 0.258 112 A C -0.753 176.840 177.584 0.015 0.000 1.087 112 A CA -1.206 50.839 52.037 0.014 0.000 0.802 112 A CB 1.199 20.216 19.000 0.029 0.000 1.042 112 A HN 0.353 8.402 8.150 0.012 0.108 0.489 113 S N -0.144 115.562 115.700 0.010 0.000 2.411 113 S HA 0.073 4.549 4.470 0.011 0.000 0.294 113 S C -0.699 173.912 174.600 0.018 0.000 1.115 113 S CA -0.803 57.403 58.200 0.009 0.000 1.071 113 S CB 0.264 63.463 63.200 -0.002 0.000 0.967 113 S HN 0.097 8.788 8.310 0.006 -0.378 0.488 114 L N 7.052 128.290 121.223 0.025 0.000 2.312 114 L HA 0.316 4.820 4.340 0.036 -0.142 0.281 114 L C -0.484 176.402 176.870 0.026 0.000 1.070 114 L CA -0.530 54.330 54.840 0.032 0.000 0.805 114 L CB 0.585 42.668 42.059 0.041 0.000 1.174 114 L HN 0.302 8.546 8.230 0.024 0.000 0.434 115 N N 4.174 122.891 118.700 0.028 0.000 3.587 115 N HA 0.220 4.972 4.740 0.022 0.000 0.339 115 N C -0.836 174.691 175.510 0.028 0.000 1.636 115 N CA -0.521 52.543 53.050 0.023 0.000 0.788 115 N CB 1.265 39.761 38.487 0.014 0.000 2.205 115 N HN 0.647 8.940 8.380 0.033 0.107 0.600 116 S N -1.681 114.033 115.700 0.023 0.000 2.436 116 S HA -0.048 4.442 4.470 0.034 0.000 0.228 116 S C 0.341 174.956 174.600 0.025 0.000 1.014 116 S CA 2.801 61.017 58.200 0.027 0.000 0.950 116 S CB 0.190 63.403 63.200 0.021 0.000 0.784 116 S HN 0.099 8.420 8.310 0.018 0.000 0.504 117 R N -2.325 118.186 120.500 0.019 0.000 2.246 117 R HA -0.012 4.331 4.340 0.006 0.000 0.199 117 R C -1.333 174.978 176.300 0.017 0.000 0.984 117 R CA 0.778 56.886 56.100 0.013 0.000 1.015 117 R CB 1.305 31.611 30.300 0.010 0.000 0.930 117 R HN -0.375 8.136 8.270 0.017 -0.231 0.475 118 V N -1.191 118.740 119.914 0.029 0.000 2.447 118 V HA 0.265 4.621 4.120 0.041 -0.211 0.292 118 V C -2.211 173.918 176.094 0.059 0.000 1.021 118 V CA -1.150 61.175 62.300 0.042 0.000 0.850 118 V CB 2.638 34.484 31.823 0.038 0.000 1.005 118 V HN -0.732 7.610 8.190 0.028 -0.134 0.426 119 A N 6.490 129.361 122.820 0.086 0.000 2.587 119 A HA 0.599 4.970 4.320 0.085 0.000 0.293 119 A C -3.081 174.597 177.584 0.157 0.000 1.087 119 A CA -1.367 50.735 52.037 0.108 0.000 0.692 119 A CB 2.868 21.933 19.000 0.109 0.000 1.291 119 A HN -0.107 7.983 8.150 0.091 0.114 0.407 120 S N -1.558 114.219 115.700 0.129 0.000 2.672 120 S HA 0.547 5.257 4.470 0.171 -0.138 0.276 120 S C -0.802 173.857 174.600 0.098 0.000 1.207 120 S CA -0.852 57.426 58.200 0.130 0.000 1.002 120 S CB 1.671 64.925 63.200 0.090 0.000 0.998 120 S HN -0.048 8.322 8.310 0.099 0.000 0.542 121 I N 0.763 121.347 120.570 0.024 0.000 2.562 121 I HA 0.217 4.313 4.170 -0.123 0.000 0.301 121 I C -1.176 174.891 176.117 -0.084 0.000 1.003 121 I CA -1.831 59.381 61.300 -0.147 0.000 1.127 121 I CB 3.546 41.230 38.000 -0.526 0.000 1.304 121 I HN 0.302 8.543 8.210 0.052 0.000 0.446 122 S N 6.641 122.291 115.700 -0.085 0.000 2.580 122 S HA 0.195 4.649 4.470 -0.028 0.000 0.274 122 S C -0.560 174.012 174.600 -0.047 0.000 1.329 122 S CA 0.315 58.487 58.200 -0.047 0.000 1.036 122 S CB 0.691 63.868 63.200 -0.038 0.000 0.919 122 S HN 0.262 8.508 8.310 -0.107 0.000 0.515 123 L N 2.781 123.990 121.223 -0.022 0.000 2.421 123 L HA 0.188 4.527 4.340 -0.002 0.000 0.263 123 L C -1.288 175.579 176.870 -0.006 0.000 1.122 123 L CA -2.369 52.468 54.840 -0.004 0.000 0.804 123 L CB 0.154 42.217 42.059 0.008 0.000 1.150 123 L HN 0.249 8.468 8.230 -0.018 0.000 0.457 124 P HA 0.144 4.555 4.420 -0.014 0.000 0.279 124 P C -1.202 176.098 177.300 0.001 0.000 1.252 124 P CA -0.760 62.339 63.100 -0.002 0.000 0.811 124 P CB 0.735 32.437 31.700 0.003 0.000 1.035 128 c N 1.586 120.164 118.600 -0.035 0.000 2.534 128 c HA 0.118 4.661 4.570 -0.044 0.000 0.385 128 c C -0.039 173.999 174.090 -0.087 0.000 1.264 128 c CA -0.296 56.001 56.329 -0.053 0.000 2.342 128 c CB 0.210 42.692 42.510 -0.047 0.000 2.564 128 c HN 0.081 8.293 8.230 -0.031 0.000 0.603 129 A N 2.722 125.458 122.820 -0.140 0.000 2.302 129 A HA 0.061 4.309 4.320 -0.119 0.000 0.285 129 A C -0.905 176.568 177.584 -0.184 0.000 1.105 129 A CA -0.236 51.701 52.037 -0.166 0.000 0.816 129 A CB 1.067 19.935 19.000 -0.220 0.000 1.067 129 A HN 0.113 8.165 8.150 -0.165 0.000 0.489 133 G N 1.598 110.349 108.800 -0.082 0.000 2.279 133 G HA2 -0.226 3.698 3.960 -0.061 0.000 0.223 133 G HA3 -0.226 3.701 3.960 -0.055 0.000 0.223 133 G C 0.337 175.193 174.900 -0.074 0.000 1.015 133 G CA -0.098 44.962 45.100 -0.067 0.000 0.621 133 G HN 0.631 8.762 8.290 -0.090 0.105 0.506 134 T N 3.736 118.233 114.554 -0.095 0.000 2.902 134 T HA -0.185 4.122 4.350 -0.071 0.000 0.301 134 T C -0.732 173.915 174.700 -0.088 0.000 1.012 134 T CA 2.671 64.715 62.100 -0.094 0.000 1.151 134 T CB 0.420 69.212 68.868 -0.126 0.000 0.946 134 T HN -0.556 7.529 8.240 -0.111 0.088 0.542 135 Q N 5.085 124.850 119.800 -0.059 0.000 2.235 135 Q HA 0.189 4.619 4.340 -0.054 -0.122 0.250 135 Q C -0.839 175.139 176.000 -0.037 0.000 0.909 135 Q CA 0.180 55.958 55.803 -0.041 0.000 0.910 135 Q CB 2.052 30.783 28.738 -0.012 0.000 1.223 135 Q HN 0.164 8.405 8.270 -0.049 0.000 0.432 136 c N 0.196 118.776 118.600 -0.033 0.000 3.108 136 c HA 0.639 5.303 4.570 -0.017 -0.103 0.321 136 c C -1.953 172.143 174.090 0.011 0.000 1.357 136 c CA -1.387 54.928 56.329 -0.024 0.000 1.562 136 c CB 4.338 46.814 42.510 -0.056 0.000 2.003 136 c HN 0.832 8.932 8.230 -0.035 0.109 0.460 137 L N 0.654 121.892 121.223 0.025 0.000 2.333 137 L HA 0.878 5.437 4.340 0.062 -0.182 0.280 137 L C -2.313 174.576 176.870 0.031 0.000 1.004 137 L CA -1.294 53.577 54.840 0.052 0.000 0.820 137 L CB 3.285 45.397 42.059 0.088 0.000 1.247 137 L HN 0.555 8.690 8.230 0.018 0.106 0.416 138 I N 7.469 128.044 120.570 0.008 0.000 2.474 138 I HA 0.839 5.245 4.170 0.025 -0.221 0.294 138 I C -1.406 174.688 176.117 -0.038 0.000 1.005 138 I CA -1.532 59.771 61.300 0.004 0.000 1.113 138 I CB 2.938 40.942 38.000 0.007 0.000 1.289 138 I HN 1.021 9.238 8.210 0.012 0.000 0.436 139 S N 2.456 118.127 115.700 -0.048 0.000 2.588 139 S HA 1.032 5.541 4.470 -0.210 -0.164 0.275 139 S C -1.150 173.340 174.600 -0.184 0.000 1.130 139 S CA -1.771 56.326 58.200 -0.172 0.000 0.855 139 S CB 3.776 66.836 63.200 -0.233 0.000 1.116 139 S HN -0.200 8.114 8.310 0.005 0.000 0.472 140 G N -1.264 107.336 108.800 -0.333 0.000 2.316 140 G HA2 0.160 3.881 3.960 -0.398 0.000 0.296 140 G HA3 0.160 4.236 3.960 -0.056 -0.150 0.296 140 G C -2.371 172.315 174.900 -0.357 0.000 1.399 140 G CA 0.586 45.515 45.100 -0.285 0.000 0.833 140 G HN 0.165 8.202 8.290 -0.421 0.000 0.565 141 W N 0.958 122.215 121.300 -0.070 0.000 3.067 141 W HA 0.391 4.993 4.660 -0.097 0.000 0.417 141 W C -0.048 176.480 176.519 0.014 0.000 1.029 141 W CA -0.972 56.295 57.345 -0.130 0.000 1.992 141 W CB 0.288 29.489 29.460 -0.431 0.000 1.122 141 W HN 0.568 8.910 8.180 0.270 0.000 0.681 142 G N 0.713 109.641 108.800 0.214 0.000 2.616 142 G HA2 -0.067 4.160 3.960 0.388 0.000 0.268 142 G HA3 -0.067 4.119 3.960 0.168 -0.126 0.268 142 G C -0.843 174.014 174.900 -0.072 0.000 1.213 142 G CA -0.740 44.476 45.100 0.194 0.000 0.926 142 G HN -0.402 8.164 8.290 0.137 -0.194 0.523 143 N N -0.197 118.292 118.700 -0.352 0.000 2.294 143 N HA -0.333 3.921 4.740 -1.060 -0.151 0.248 143 N C 0.816 176.167 175.510 -0.265 0.000 1.242 143 N CA 1.321 53.984 53.050 -0.645 0.000 0.848 143 N CB 0.650 38.800 38.487 -0.561 0.000 1.084 143 N HN 0.205 8.475 8.380 -0.183 0.000 0.457 144 T N 0.136 114.557 114.554 -0.222 0.000 3.054 144 T HA 0.203 4.638 4.350 -0.084 -0.135 0.255 144 T C 0.126 174.781 174.700 -0.075 0.000 1.035 144 T CA 0.316 62.353 62.100 -0.106 0.000 0.941 144 T CB 1.402 70.225 68.868 -0.074 0.000 1.026 144 T HN 0.092 8.167 8.240 -0.275 0.000 0.533 145 K N 1.687 122.033 120.400 -0.090 0.000 2.259 145 K HA 0.341 4.642 4.320 -0.031 0.000 0.249 145 K C -0.492 176.090 176.600 -0.030 0.000 0.942 145 K CA -1.038 55.221 56.287 -0.046 0.000 0.816 145 K CB 1.981 34.458 32.500 -0.038 0.000 1.155 145 K HN -0.821 7.524 8.250 -0.143 -0.182 0.428 146 S N 1.618 117.313 115.700 -0.009 0.000 2.439 146 S HA -0.153 4.322 4.470 0.008 0.000 0.224 146 S C -0.859 173.748 174.600 0.012 0.000 1.029 146 S CA 1.523 59.727 58.200 0.006 0.000 0.946 146 S CB 0.518 63.725 63.200 0.013 0.000 0.797 146 S HN 0.356 8.662 8.310 -0.008 0.000 0.504 147 S N -1.817 113.888 115.700 0.008 0.000 2.561 147 S HA 0.290 4.773 4.470 0.020 0.000 0.303 147 S C -1.382 173.225 174.600 0.013 0.000 1.110 147 S CA -0.976 57.233 58.200 0.015 0.000 1.034 147 S CB 2.612 65.821 63.200 0.015 0.000 1.010 147 S HN -0.551 7.761 8.310 0.003 0.000 0.482 148 G N 0.548 109.361 108.800 0.021 0.000 2.757 148 G HA2 -0.287 3.695 3.960 0.036 0.000 0.638 148 G HA3 -0.287 3.686 3.960 0.021 0.000 0.638 148 G C -2.015 172.899 174.900 0.023 0.000 1.344 148 G CA -0.576 44.540 45.100 0.026 0.000 0.855 148 G HN 0.040 8.347 8.290 0.027 0.000 0.537 149 T N -4.469 110.111 114.554 0.043 0.000 2.900 149 T HA 0.212 4.730 4.350 -0.056 -0.201 0.295 149 T C -1.559 173.170 174.700 0.048 0.000 1.044 149 T CA -1.847 60.278 62.100 0.042 0.000 0.995 149 T CB 3.091 72.086 68.868 0.211 0.000 1.072 149 T HN -0.187 8.086 8.240 0.054 0.000 0.473 150 S N 2.396 118.070 115.700 -0.043 0.000 2.545 150 S HA 0.158 4.707 4.470 0.131 0.000 0.259 150 S C -2.196 172.356 174.600 -0.081 0.000 1.092 150 S CA 0.499 58.714 58.200 0.025 0.000 1.054 150 S CB 0.933 64.133 63.200 0.001 0.000 1.146 150 S HN 0.399 8.877 8.310 -0.259 -0.323 0.447 151 Y N 5.686 126.017 120.300 0.051 0.000 2.326 151 Y HA 0.173 4.768 4.550 0.074 0.000 0.337 151 Y C -1.419 174.520 175.900 0.065 0.000 1.023 151 Y CA -2.753 55.387 58.100 0.067 0.000 1.143 151 Y CB 0.545 39.050 38.460 0.074 0.000 1.183 151 Y HN 0.054 8.572 8.280 0.396 0.000 0.485 152 P HA 0.108 4.597 4.420 0.115 0.000 0.281 152 P C -1.588 175.834 177.300 0.205 0.000 1.249 152 P CA -0.967 62.220 63.100 0.146 0.000 0.810 152 P CB 1.475 33.229 31.700 0.091 0.000 1.008 153 D N -0.929 119.570 120.400 0.164 0.000 2.327 153 D HA 0.002 4.707 4.640 0.108 0.000 0.205 153 D C -0.813 175.640 176.300 0.255 0.000 0.989 153 D CA 1.120 55.209 54.000 0.147 0.000 0.873 153 D CB 1.001 41.851 40.800 0.082 0.000 0.955 153 D HN 0.454 8.900 8.370 0.127 0.000 0.515 154 V N -7.899 112.164 119.914 0.247 0.000 2.850 154 V HA 0.597 5.194 4.120 0.396 -0.240 0.315 154 V C -0.895 175.258 176.094 0.099 0.000 1.064 154 V CA -2.877 59.575 62.300 0.254 0.000 0.979 154 V CB 2.227 34.117 31.823 0.111 0.000 1.039 154 V HN -0.970 7.323 8.190 0.171 0.000 0.452 155 L N 2.094 123.254 121.223 -0.104 0.000 2.455 155 L HA -0.062 3.545 4.340 -1.222 0.000 0.272 155 L C -0.241 176.383 176.870 -0.409 0.000 1.174 155 L CA 0.811 55.262 54.840 -0.649 0.000 0.869 155 L CB 0.531 42.181 42.059 -0.682 0.000 1.130 155 L HN -0.144 8.321 8.230 0.087 -0.183 0.474 156 K N 5.683 125.818 120.400 -0.442 0.000 2.156 156 K HA 0.622 4.890 4.320 -0.326 -0.144 0.250 156 K C -1.160 175.190 176.600 -0.418 0.000 0.955 156 K CA -2.524 53.556 56.287 -0.346 0.000 0.855 156 K CB 2.375 34.736 32.500 -0.231 0.000 1.101 156 K HN -0.074 7.842 8.250 -0.557 0.000 0.434 157 c N -0.409 117.847 118.600 -0.574 0.000 2.707 157 c HA 0.941 5.456 4.570 -0.377 -0.171 0.313 157 c C -1.860 171.913 174.090 -0.529 0.000 1.209 157 c CA -0.740 55.217 56.329 -0.619 0.000 1.635 157 c CB 3.707 45.676 42.510 -0.903 0.000 2.206 157 c HN 0.846 8.563 8.230 -0.678 0.106 0.485 158 L N 0.981 122.089 121.223 -0.192 0.000 2.493 158 L HA 0.456 4.870 4.340 0.123 0.000 0.265 158 L C -2.498 174.454 176.870 0.136 0.000 0.954 158 L CA -0.143 54.722 54.840 0.043 0.000 0.844 158 L CB 4.494 46.588 42.059 0.059 0.000 1.302 158 L HN 0.869 9.011 8.230 -0.147 0.000 0.405 159 K N 6.543 127.084 120.400 0.235 0.000 2.213 159 K HA 0.762 5.359 4.320 0.132 -0.198 0.270 159 K C -1.374 175.350 176.600 0.207 0.000 1.002 159 K CA -0.768 55.630 56.287 0.186 0.000 0.868 159 K CB 1.311 33.921 32.500 0.182 0.000 1.093 159 K HN 0.320 8.747 8.250 0.296 0.000 0.454 160 A N 3.304 126.181 122.820 0.095 0.000 2.572 160 A HA 0.688 5.006 4.320 -0.003 0.000 0.295 160 A C -3.382 174.125 177.584 -0.129 0.000 1.072 160 A CA -2.857 49.161 52.037 -0.031 0.000 0.691 160 A CB 3.103 22.069 19.000 -0.057 0.000 1.291 160 A HN 0.793 8.970 8.150 0.046 0.000 0.404 161 P HA 0.777 5.334 4.420 -0.121 -0.210 0.285 161 P C -1.119 176.091 177.300 -0.150 0.000 1.269 161 P CA -1.557 61.442 63.100 -0.169 0.000 0.844 161 P CB 1.706 33.310 31.700 -0.159 0.000 1.094 162 I N -0.180 120.316 120.570 -0.124 0.000 2.529 162 I HA -0.016 4.270 4.170 0.008 -0.112 0.284 162 I C 0.075 176.153 176.117 -0.064 0.000 1.082 162 I CA 0.441 61.685 61.300 -0.094 0.000 1.406 162 I CB 0.515 38.363 38.000 -0.253 0.000 1.405 162 I HN 0.059 8.189 8.210 -0.133 0.000 0.548 163 L N 6.577 127.801 121.223 0.003 0.000 2.387 163 L HA 0.246 4.567 4.340 -0.033 0.000 0.266 163 L C -0.275 176.602 176.870 0.011 0.000 1.059 163 L CA -0.975 53.864 54.840 -0.002 0.000 0.801 163 L CB 0.714 42.785 42.059 0.020 0.000 1.223 163 L HN 0.568 8.734 8.230 0.080 0.112 0.456 164 S N -0.130 115.573 115.700 0.004 0.000 2.593 164 S HA -0.073 4.394 4.470 -0.004 0.000 0.269 164 S C 0.677 175.296 174.600 0.033 0.000 1.334 164 S CA 0.044 58.249 58.200 0.008 0.000 1.015 164 S CB 1.228 64.428 63.200 0.001 0.000 0.912 164 S HN -0.027 8.282 8.310 -0.003 0.000 0.541 165 D N 2.729 123.150 120.400 0.034 0.000 2.178 165 D HA -0.196 4.490 4.640 0.077 0.000 0.201 165 D C 1.976 178.305 176.300 0.048 0.000 0.980 165 D CA 3.602 57.635 54.000 0.054 0.000 0.842 165 D CB -0.719 40.109 40.800 0.047 0.000 0.948 165 D HN 0.658 9.040 8.370 0.020 0.000 0.472 166 S N -0.586 115.133 115.700 0.031 0.000 2.368 166 S HA -0.232 4.256 4.470 0.031 0.000 0.224 166 S C 1.687 176.303 174.600 0.026 0.000 1.029 166 S CA 3.112 61.328 58.200 0.027 0.000 0.988 166 S CB -0.479 62.730 63.200 0.016 0.000 0.838 166 S HN 0.007 8.318 8.310 0.023 0.014 0.462 167 S N 1.890 117.603 115.700 0.022 0.000 2.383 167 S HA -0.207 4.265 4.470 0.004 0.000 0.227 167 S C 2.187 176.801 174.600 0.023 0.000 1.026 167 S CA 3.005 61.213 58.200 0.014 0.000 0.981 167 S CB -0.953 62.252 63.200 0.008 0.000 0.818 167 S HN -0.185 8.137 8.310 0.020 0.000 0.472 168 c N 3.730 122.363 118.600 0.055 0.000 2.453 168 c HA -0.264 4.370 4.570 0.106 0.000 0.277 168 c C 1.921 176.086 174.090 0.124 0.000 1.262 168 c CA 2.769 59.159 56.329 0.102 0.000 1.718 168 c CB -1.796 40.786 42.510 0.120 0.000 2.031 168 c HN -0.087 8.163 8.230 0.054 0.012 0.480 169 K N -1.240 119.220 120.400 0.100 0.000 2.211 169 K HA -0.290 4.123 4.320 0.154 0.000 0.203 169 K C 2.224 178.869 176.600 0.074 0.000 1.050 169 K CA 2.892 59.243 56.287 0.107 0.000 0.945 169 K CB -0.289 32.260 32.500 0.081 0.000 0.732 169 K HN 0.111 8.410 8.250 0.082 0.000 0.451 170 S N -1.167 114.555 115.700 0.036 0.000 2.406 170 S HA -0.194 4.284 4.470 0.014 0.000 0.228 170 S C 1.332 175.907 174.600 -0.042 0.000 1.020 170 S CA 2.423 60.625 58.200 0.004 0.000 0.965 170 S CB -0.235 62.962 63.200 -0.004 0.000 0.798 170 S HN -0.423 7.810 8.310 0.037 0.099 0.488 171 A N -0.364 122.401 122.820 -0.092 0.000 1.970 171 A HA -0.058 4.112 4.320 -0.249 0.000 0.216 171 A C -0.574 176.749 177.584 -0.435 0.000 1.170 171 A CA 1.701 53.555 52.037 -0.304 0.000 0.645 171 A CB 0.964 19.684 19.000 -0.468 0.000 0.816 171 A HN -0.583 7.419 8.150 -0.041 0.124 0.447 172 Y N -5.283 115.048 120.300 0.051 0.000 2.562 172 Y HA 0.442 5.058 4.550 0.110 0.000 0.363 172 Y C -2.479 173.478 175.900 0.097 0.000 0.991 172 Y CA -3.647 54.514 58.100 0.101 0.000 1.121 172 Y CB -0.118 38.432 38.460 0.151 0.000 1.159 172 Y HN -0.550 7.685 8.280 0.071 0.087 0.651 173 P HA -0.092 4.498 4.420 0.106 -0.106 0.265 173 P C 0.884 178.259 177.300 0.126 0.000 1.193 173 P CA 1.025 64.194 63.100 0.115 0.000 0.765 173 P CB 0.201 31.942 31.700 0.068 0.000 0.823 174 G N 3.286 112.147 108.800 0.102 0.000 2.180 174 G HA2 -0.373 3.626 3.960 0.065 0.000 0.263 174 G HA3 -0.373 3.624 3.960 0.061 0.000 0.263 174 G C -0.017 174.938 174.900 0.092 0.000 0.989 174 G CA 0.900 46.047 45.100 0.079 0.000 0.692 174 G HN 0.517 8.862 8.290 0.092 0.000 0.526 175 Q N -2.792 117.099 119.800 0.153 0.000 2.211 175 Q HA 0.105 4.489 4.340 0.075 0.000 0.242 175 Q C -0.498 175.636 176.000 0.223 0.000 0.825 175 Q CA -0.367 55.535 55.803 0.165 0.000 0.951 175 Q CB 1.859 30.741 28.738 0.240 0.000 1.130 175 Q HN -0.401 7.936 8.270 0.192 0.049 0.496 176 I N 0.759 121.452 120.570 0.206 0.000 2.331 176 I HA 0.163 4.468 4.170 0.225 0.000 0.292 176 I C -0.015 176.178 176.117 0.126 0.000 0.998 176 I CA -2.417 58.992 61.300 0.182 0.000 1.267 176 I CB -0.629 37.469 38.000 0.163 0.000 1.386 176 I HN -0.512 7.810 8.210 0.188 0.000 0.476 177 T N 4.717 119.342 114.554 0.120 0.000 2.922 177 T HA 0.297 4.689 4.350 0.070 0.000 0.281 177 T C 1.081 175.832 174.700 0.086 0.000 1.005 177 T CA -1.917 60.234 62.100 0.085 0.000 0.982 177 T CB 2.201 71.112 68.868 0.071 0.000 1.158 177 T HN -0.284 8.042 8.240 0.143 0.000 0.566 178 S N -1.525 114.212 115.700 0.062 0.000 2.555 178 S HA -0.188 4.321 4.470 0.065 0.000 0.230 178 S C -0.293 174.348 174.600 0.068 0.000 0.978 178 S CA 2.799 61.032 58.200 0.055 0.000 0.934 178 S CB -0.241 62.972 63.200 0.023 0.000 0.766 178 S HN 0.297 8.635 8.310 0.047 0.000 0.533 179 N N -0.728 118.026 118.700 0.089 0.000 2.235 179 N HA 0.147 4.951 4.740 0.107 0.000 0.209 179 N C -1.763 173.861 175.510 0.190 0.000 1.122 179 N CA -0.485 52.648 53.050 0.139 0.000 0.845 179 N CB 1.053 39.640 38.487 0.167 0.000 1.004 179 N HN -0.591 7.754 8.380 0.087 0.087 0.499 180 M N -0.972 118.727 119.600 0.163 0.000 2.572 180 M HA 0.809 5.556 4.480 0.075 -0.222 0.299 180 M C -2.139 174.277 176.300 0.193 0.000 1.205 180 M CA -0.314 55.060 55.300 0.122 0.000 0.876 180 M CB 4.976 37.630 32.600 0.090 0.000 1.728 180 M HN -0.721 7.574 8.290 0.147 0.083 0.458 181 F N -5.476 114.520 119.950 0.078 0.000 2.645 181 F HA 0.610 5.165 4.527 0.048 0.000 0.310 181 F C -2.889 172.966 175.800 0.091 0.000 1.102 181 F CA -2.140 55.901 58.000 0.067 0.000 0.952 181 F CB 2.379 41.414 39.000 0.060 0.000 1.326 181 F HN 0.365 8.529 8.300 -0.227 0.000 0.456 182 c N -0.260 118.549 118.600 0.348 0.000 2.391 182 c HA 0.977 5.830 4.570 0.156 -0.190 0.339 182 c C -1.069 173.234 174.090 0.356 0.000 1.205 182 c CA -1.036 55.439 56.329 0.243 0.000 1.937 182 c CB 2.678 45.277 42.510 0.147 0.000 2.341 182 c HN 0.874 9.322 8.230 0.363 0.000 0.516 183 A N 3.131 126.134 122.820 0.304 0.000 2.476 183 A HA 0.647 5.139 4.320 0.063 -0.133 0.280 183 A C -2.266 175.357 177.584 0.065 0.000 1.081 183 A CA -0.420 51.690 52.037 0.122 0.000 0.753 183 A CB 2.640 21.618 19.000 -0.036 0.000 1.248 183 A HN 0.475 8.848 8.150 0.372 0.000 0.424 184 Y N 2.882 123.214 120.300 0.053 0.000 2.365 184 Y HA 0.027 4.595 4.550 0.030 0.000 0.340 184 Y C 0.927 176.842 175.900 0.025 0.000 1.016 184 Y CA -0.194 57.927 58.100 0.034 0.000 1.196 184 Y CB 0.508 38.986 38.460 0.030 0.000 1.167 184 Y HN 0.494 8.888 8.280 0.190 0.000 0.509 185 L N 4.159 125.450 121.223 0.113 0.000 2.353 185 L HA -0.362 4.005 4.340 0.043 0.000 0.220 185 L C 0.976 177.887 176.870 0.068 0.000 1.133 185 L CA 2.366 57.243 54.840 0.062 0.000 0.798 185 L CB -0.483 41.593 42.059 0.029 0.000 0.922 185 L HN 0.561 8.843 8.230 0.086 0.000 0.445 186 E N -3.325 116.937 120.200 0.104 0.000 2.285 186 E HA -0.164 4.213 4.350 0.045 0.000 0.194 186 E C 0.359 176.996 176.600 0.061 0.000 0.997 186 E CA 0.310 56.752 56.400 0.069 0.000 0.845 186 E CB -0.097 29.641 29.700 0.063 0.000 0.782 186 E HN 0.086 8.480 8.360 0.156 0.059 0.491 187 G N 1.114 109.971 108.800 0.094 0.000 3.436 187 G HA2 -0.381 3.633 3.960 0.090 0.000 0.685 187 G HA3 -0.381 3.607 3.960 0.047 0.000 0.685 187 G C -0.931 173.995 174.900 0.043 0.000 1.039 187 G CA -0.240 44.903 45.100 0.071 0.000 0.879 187 G HN -0.447 7.778 8.290 0.148 0.154 0.478 188 K N 1.498 121.910 120.400 0.020 0.000 6.999 188 K HA -0.603 3.978 4.320 0.032 -0.241 0.712 188 K C -1.438 175.268 176.600 0.177 0.000 2.465 188 K CA 0.533 56.855 56.287 0.058 0.000 1.780 188 K CB -0.076 32.388 32.500 -0.059 0.000 1.897 188 K HN 0.288 8.572 8.250 0.057 0.000 0.299 189 D N 0.931 121.412 120.400 0.136 0.000 2.755 189 D HA 0.266 5.027 4.640 0.201 0.000 0.277 189 D C -1.775 174.595 176.300 0.117 0.000 1.261 189 D CA -0.614 53.477 54.000 0.151 0.000 0.759 189 D CB 3.776 44.648 40.800 0.119 0.000 1.279 189 D HN 0.199 8.625 8.370 0.093 0.000 0.420 190 S N -1.319 114.465 115.700 0.139 0.000 2.686 190 S HA 0.220 4.741 4.470 0.085 0.000 0.270 190 S C -1.460 173.183 174.600 0.070 0.000 1.194 190 S CA -0.110 58.157 58.200 0.112 0.000 0.990 190 S CB 1.554 64.859 63.200 0.174 0.000 1.029 190 S HN 0.241 8.656 8.310 0.176 0.000 0.560 191 c N -1.920 116.720 118.600 0.066 0.000 3.293 191 c HA 0.226 4.832 4.570 0.060 0.000 0.362 191 c C -1.521 172.631 174.090 0.103 0.000 1.539 191 c CA -0.540 55.826 56.329 0.061 0.000 1.201 191 c CB 3.191 45.712 42.510 0.017 0.000 1.770 191 c HN 0.369 8.938 8.230 0.078 -0.292 0.440 192 Q N 2.030 121.901 119.800 0.117 0.000 2.269 192 Q HA -0.292 4.169 4.340 0.201 0.000 0.300 192 Q C 0.600 176.772 176.000 0.286 0.000 1.070 192 Q CA 2.151 58.073 55.803 0.198 0.000 0.957 192 Q CB 0.410 29.273 28.738 0.209 0.000 1.131 192 Q HN 0.579 8.901 8.270 0.088 0.000 0.377 193 G N 6.770 115.759 108.800 0.316 0.000 2.238 193 G HA2 -0.388 3.800 3.960 0.380 0.000 0.217 193 G HA3 -0.388 3.896 3.960 0.540 0.000 0.217 193 G C 0.513 175.644 174.900 0.386 0.000 0.996 193 G CA 0.833 46.182 45.100 0.415 0.000 0.632 193 G HN 0.796 9.249 8.290 0.272 0.000 0.503 194 D N 1.059 121.614 120.400 0.257 0.000 2.346 194 D HA 0.103 4.883 4.640 0.234 0.000 0.206 194 D C 0.168 176.568 176.300 0.167 0.000 1.001 194 D CA 0.902 55.023 54.000 0.202 0.000 0.871 194 D CB 0.529 41.410 40.800 0.136 0.000 0.943 194 D HN 0.191 8.614 8.370 0.222 0.080 0.518 195 S N -0.744 115.053 115.700 0.161 0.000 2.573 195 S HA -0.514 4.188 4.470 0.139 -0.148 0.297 195 S C 0.966 175.576 174.600 0.017 0.000 1.280 195 S CA 3.220 61.490 58.200 0.116 0.000 1.061 195 S CB -0.018 63.278 63.200 0.160 0.000 0.812 195 S HN -0.415 8.010 8.310 0.193 0.000 0.500 196 G N 4.472 113.272 108.800 -0.000 0.000 2.253 196 G HA2 -0.453 3.568 3.960 -0.030 0.000 0.251 196 G HA3 -0.453 3.594 3.960 -0.065 -0.126 0.251 196 G C -0.131 174.803 174.900 0.057 0.000 0.998 196 G CA 0.219 45.309 45.100 -0.017 0.000 0.621 196 G HN 0.824 9.034 8.290 0.037 0.103 0.524 197 G N 0.992 109.850 108.800 0.097 0.000 2.621 197 G HA2 0.319 4.425 3.960 0.126 0.000 0.271 197 G HA3 0.319 4.353 3.960 0.123 0.000 0.271 197 G C -2.647 172.338 174.900 0.141 0.000 1.236 197 G CA -1.775 43.399 45.100 0.124 0.000 0.958 197 G HN -0.392 7.870 8.290 0.102 0.089 0.512 198 P HA 0.391 5.023 4.420 0.138 -0.129 0.282 198 P C -1.566 175.806 177.300 0.120 0.000 1.259 198 P CA -1.056 62.139 63.100 0.157 0.000 0.826 198 P CB 1.764 33.618 31.700 0.257 0.000 1.064 199 V N 1.474 121.439 119.914 0.085 0.000 2.462 199 V HA 0.301 4.596 4.120 -0.001 -0.176 0.288 199 V C -1.354 174.757 176.094 0.028 0.000 1.020 199 V CA -0.354 61.959 62.300 0.022 0.000 0.857 199 V CB 1.916 33.728 31.823 -0.018 0.000 1.013 199 V HN -0.275 7.968 8.190 0.089 0.000 0.431 200 V N 7.892 127.813 119.914 0.012 0.000 2.459 200 V HA 0.633 4.908 4.120 -0.063 -0.193 0.295 200 V C -1.381 174.698 176.094 -0.024 0.000 1.029 200 V CA -1.317 60.960 62.300 -0.038 0.000 0.874 200 V CB 3.063 34.841 31.823 -0.076 0.000 0.985 200 V HN 0.675 8.886 8.190 0.034 0.000 0.438 201 c N 7.399 125.973 118.600 -0.043 0.000 2.397 201 c HA 0.590 5.141 4.570 -0.031 0.000 0.325 201 c C 0.288 174.351 174.090 -0.044 0.000 1.201 201 c CA -1.062 55.239 56.329 -0.045 0.000 1.377 201 c CB 1.027 43.492 42.510 -0.074 0.000 2.038 201 c HN 0.519 8.717 8.230 -0.054 0.000 0.457 202 S N 4.566 120.248 115.700 -0.029 0.000 3.614 202 S HA -0.396 4.066 4.470 -0.014 0.000 0.360 202 S C -0.191 174.392 174.600 -0.029 0.000 1.023 202 S CA 1.410 59.596 58.200 -0.025 0.000 1.114 202 S CB -0.617 62.565 63.200 -0.030 0.000 0.907 202 S HN 0.687 8.985 8.310 -0.020 0.000 0.470 203 G N -4.649 104.131 108.800 -0.034 0.000 2.153 203 G HA2 -0.481 3.445 3.960 -0.057 0.000 0.252 203 G HA3 -0.481 3.460 3.960 -0.032 0.000 0.252 203 G C -0.962 173.887 174.900 -0.085 0.000 0.994 203 G CA 0.406 45.475 45.100 -0.052 0.000 0.698 203 G HN 0.223 8.486 8.290 -0.025 0.012 0.521 210 Q N 1.148 120.981 119.800 0.054 0.000 2.392 210 Q HA 0.204 4.605 4.340 0.102 0.000 0.219 210 Q C -0.205 175.984 176.000 0.316 0.000 0.895 210 Q CA 0.195 56.069 55.803 0.119 0.000 0.929 210 Q CB 2.711 31.454 28.738 0.009 0.000 1.077 210 Q HN 0.355 8.645 8.270 0.033 0.000 0.532 211 G N -3.004 105.973 108.800 0.294 0.000 2.694 211 G HA2 0.627 5.025 3.960 0.328 0.000 0.290 211 G HA3 0.627 4.767 3.960 0.300 0.000 0.290 211 G C -3.221 171.786 174.900 0.179 0.000 1.386 211 G CA -0.769 44.507 45.100 0.294 0.000 0.872 211 G HN -0.379 8.024 8.290 0.188 0.000 0.475 212 I N -1.264 119.403 120.570 0.163 0.000 2.466 212 I HA 0.562 5.051 4.170 0.152 -0.228 0.289 212 I C -0.493 175.738 176.117 0.189 0.000 1.026 212 I CA -1.401 59.987 61.300 0.147 0.000 1.078 212 I CB 4.202 42.253 38.000 0.085 0.000 1.249 212 I HN -0.419 7.866 8.210 0.126 0.000 0.429 213 V N 7.338 127.384 119.914 0.220 0.000 2.493 213 V HA -0.241 3.875 4.120 -0.008 0.000 0.292 213 V C -1.110 174.997 176.094 0.021 0.000 1.016 213 V CA 2.143 64.510 62.300 0.113 0.000 1.097 213 V CB -0.944 30.975 31.823 0.159 0.000 0.947 213 V HN 0.376 8.579 8.190 0.200 0.108 0.479 214 S N 7.556 123.175 115.700 -0.136 0.000 3.142 214 S HA 0.308 4.968 4.470 0.317 0.000 0.223 214 S C -0.697 174.014 174.600 0.185 0.000 0.939 214 S CA 0.773 59.044 58.200 0.118 0.000 0.826 214 S CB 2.088 65.349 63.200 0.102 0.000 0.823 214 S HN -0.069 7.941 8.310 -0.499 0.000 0.612 215 W N -4.131 117.005 121.300 -0.273 0.000 2.961 215 W HA 0.284 4.832 4.660 -0.186 0.000 0.368 215 W C -2.981 173.371 176.519 -0.279 0.000 1.213 215 W CA -0.711 56.483 57.345 -0.252 0.000 1.173 215 W CB 0.659 29.959 29.460 -0.266 0.000 1.487 215 W HN -0.127 7.785 8.180 -0.448 0.000 0.585 216 G N -3.244 105.645 108.800 0.149 0.000 2.523 216 G HA2 0.110 3.870 3.960 -0.334 0.000 0.291 216 G HA3 0.110 4.045 3.960 -0.041 0.000 0.291 216 G C -2.158 172.880 174.900 0.231 0.000 1.450 216 G CA 0.256 45.350 45.100 -0.010 0.000 0.790 216 G HN -0.046 8.474 8.290 0.383 0.000 0.496 220 c N 1.910 120.550 118.600 0.066 0.000 3.421 220 c HA 0.321 5.095 4.570 0.066 -0.164 0.194 220 c C -1.559 172.563 174.090 0.054 0.000 1.418 220 c CA -0.820 55.544 56.329 0.058 0.000 1.226 220 c CB -0.939 41.596 42.510 0.042 0.000 1.875 220 c HN 0.314 8.579 8.230 0.058 0.000 0.561 221 Q N -1.467 118.367 119.800 0.055 0.000 2.920 221 Q HA 0.114 4.474 4.340 0.034 0.000 0.255 221 Q C -1.446 174.575 176.000 0.035 0.000 0.976 221 Q CA -0.538 55.289 55.803 0.041 0.000 0.862 221 Q CB 2.176 30.939 28.738 0.042 0.000 1.952 221 Q HN 0.247 8.556 8.270 0.065 0.000 0.489 222 K N 3.741 124.155 120.400 0.023 0.000 2.448 222 K HA -0.275 4.162 4.320 0.029 -0.099 0.278 222 K C 0.264 176.859 176.600 -0.008 0.000 1.009 222 K CA 1.050 57.347 56.287 0.016 0.000 0.995 222 K CB 0.089 32.596 32.500 0.011 0.000 0.917 222 K HN 0.254 8.517 8.250 0.021 0.000 0.481 223 N N 2.330 121.020 118.700 -0.017 0.000 2.713 223 N HA -0.469 4.239 4.740 -0.053 0.000 0.251 223 N C -1.671 173.752 175.510 -0.144 0.000 1.117 223 N CA 1.829 54.840 53.050 -0.065 0.000 0.770 223 N CB -0.431 38.013 38.487 -0.070 0.000 1.137 223 N HN 0.755 9.024 8.380 0.005 0.114 0.566 224 K N -2.293 118.055 120.400 -0.087 0.000 2.842 224 K HA 0.543 4.624 4.320 -0.399 0.000 0.176 224 K C -2.378 174.265 176.600 0.073 0.000 1.080 224 K CA -3.487 52.741 56.287 -0.099 0.000 0.954 224 K CB -0.012 32.498 32.500 0.017 0.000 1.203 224 K HN -0.707 7.470 8.250 -0.022 0.060 0.611 225 P HA -0.043 4.442 4.420 0.109 0.000 0.274 225 P C -0.665 176.696 177.300 0.102 0.000 1.260 225 P CA -0.423 62.746 63.100 0.114 0.000 0.793 225 P CB 1.165 32.919 31.700 0.091 0.000 1.048 226 G N -2.484 106.354 108.800 0.063 0.000 2.507 226 G HA2 0.358 4.145 3.960 -0.288 0.000 0.271 226 G HA3 0.358 4.271 3.960 -0.180 -0.061 0.271 226 G C -1.826 172.824 174.900 -0.417 0.000 1.189 226 G CA -0.815 44.160 45.100 -0.208 0.000 0.859 226 G HN -0.397 7.987 8.290 0.157 0.000 0.542 227 V N 1.218 120.552 119.914 -0.966 0.000 2.555 227 V HA 0.654 4.599 4.120 -0.568 -0.165 0.302 227 V C -1.028 174.354 176.094 -1.186 0.000 1.038 227 V CA -1.034 60.653 62.300 -1.020 0.000 0.887 227 V CB 2.449 33.234 31.823 -1.730 0.000 0.991 227 V HN 0.430 7.997 8.190 -1.039 0.000 0.434 228 Y N 4.606 124.530 120.300 -0.627 0.000 2.499 228 Y HA 0.560 5.025 4.550 -0.365 -0.134 0.347 228 Y C 0.246 175.851 175.900 -0.491 0.000 0.987 228 Y CA -2.198 55.524 58.100 -0.629 0.000 1.044 228 Y CB 3.905 41.713 38.460 -1.086 0.000 1.245 228 Y HN 1.127 9.087 8.280 -0.533 0.000 0.461 229 T N 4.947 119.442 114.554 -0.097 0.000 2.901 229 T HA 0.032 4.583 4.350 0.077 -0.155 0.301 229 T C -0.721 174.069 174.700 0.149 0.000 1.012 229 T CA 1.512 63.641 62.100 0.048 0.000 1.135 229 T CB 0.543 69.436 68.868 0.042 0.000 0.936 229 T HN 0.420 8.633 8.240 -0.045 0.000 0.539 230 K N 7.771 128.358 120.400 0.311 0.000 2.183 230 K HA 0.145 4.861 4.320 0.659 0.000 0.272 230 K C 1.089 177.940 176.600 0.418 0.000 1.113 230 K CA -0.667 55.892 56.287 0.454 0.000 0.949 230 K CB -0.258 32.475 32.500 0.388 0.000 1.365 230 K HN 0.162 8.491 8.250 0.303 0.102 0.420 231 V N 6.241 126.386 119.914 0.385 0.000 2.469 231 V HA -0.532 3.896 4.120 0.513 0.000 0.251 231 V C 1.349 177.614 176.094 0.284 0.000 1.064 231 V CA 3.864 66.384 62.300 0.367 0.000 1.066 231 V CB -0.359 31.610 31.823 0.244 0.000 0.667 231 V HN 0.280 8.705 8.190 0.392 0.000 0.461 232 c N -3.780 114.923 118.600 0.172 0.000 2.409 232 c HA -0.216 4.405 4.570 0.085 0.000 0.284 232 c C 1.610 175.717 174.090 0.029 0.000 1.354 232 c CA 1.594 57.973 56.329 0.084 0.000 1.787 232 c CB -2.080 40.453 42.510 0.039 0.000 1.900 232 c HN 0.512 8.830 8.230 0.179 0.020 0.520 233 N N 0.879 119.556 118.700 -0.039 0.000 2.467 233 N HA -0.068 4.571 4.740 -0.169 0.000 0.184 233 N C 0.255 175.501 175.510 -0.440 0.000 1.106 233 N CA 1.009 53.889 53.050 -0.282 0.000 0.892 233 N CB -0.150 38.045 38.487 -0.488 0.000 0.969 233 N HN -0.440 7.914 8.380 0.044 0.052 0.454 234 Y N -4.559 115.824 120.300 0.139 0.000 2.557 234 Y HA 0.182 4.895 4.550 0.272 0.000 0.247 234 Y C -0.121 175.930 175.900 0.252 0.000 1.164 234 Y CA -0.914 57.335 58.100 0.248 0.000 1.218 234 Y CB -0.081 38.561 38.460 0.304 0.000 1.210 234 Y HN -0.072 8.115 8.280 0.159 0.188 0.529 235 V N 0.940 120.994 119.914 0.232 0.000 2.407 235 V HA -0.557 3.651 4.120 0.148 0.000 0.248 235 V C 1.327 177.487 176.094 0.110 0.000 1.055 235 V CA 4.785 67.172 62.300 0.145 0.000 1.049 235 V CB -0.531 31.339 31.823 0.079 0.000 0.662 235 V HN -0.755 7.531 8.190 0.161 0.000 0.455 236 S N -0.070 115.703 115.700 0.122 0.000 2.368 236 S HA -0.298 4.194 4.470 0.038 0.000 0.224 236 S C 1.635 176.307 174.600 0.120 0.000 1.029 236 S CA 3.477 61.731 58.200 0.090 0.000 0.988 236 S CB -0.414 62.838 63.200 0.085 0.000 0.838 236 S HN 0.099 8.484 8.310 0.125 0.000 0.462 237 W N 3.322 124.659 121.300 0.062 0.000 2.358 237 W HA -0.243 4.432 4.660 0.026 0.000 0.303 237 W C 1.207 177.733 176.519 0.011 0.000 1.208 237 W CA 3.233 60.616 57.345 0.063 0.000 1.274 237 W CB 0.026 29.594 29.460 0.179 0.000 1.138 237 W HN -0.471 7.943 8.180 0.390 0.000 0.515 238 I N -0.640 119.853 120.570 -0.128 0.000 2.142 238 I HA -0.747 2.889 4.170 -0.890 0.000 0.240 238 I C 1.863 177.718 176.117 -0.437 0.000 1.078 238 I CA 4.496 65.533 61.300 -0.438 0.000 1.343 238 I CB -0.238 37.688 38.000 -0.123 0.000 1.046 238 I HN 0.387 8.733 8.210 0.228 0.000 0.405 239 K N -1.084 119.172 120.400 -0.240 0.000 2.097 239 K HA -0.409 3.756 4.320 -0.260 0.000 0.206 239 K C 2.663 179.113 176.600 -0.250 0.000 1.049 239 K CA 3.716 59.870 56.287 -0.222 0.000 0.933 239 K CB -0.262 32.170 32.500 -0.114 0.000 0.717 239 K HN -0.060 8.113 8.250 -0.128 0.000 0.442 240 Q N -2.312 117.352 119.800 -0.227 0.000 2.123 240 Q HA -0.205 4.047 4.340 -0.147 0.000 0.199 240 Q C 2.310 178.140 176.000 -0.283 0.000 0.966 240 Q CA 2.921 58.608 55.803 -0.194 0.000 0.845 240 Q CB -0.616 28.061 28.738 -0.102 0.000 0.907 240 Q HN -0.010 8.134 8.270 -0.195 0.009 0.439 241 T N 3.228 117.498 114.554 -0.474 0.000 2.737 241 T HA -0.301 3.839 4.350 -0.350 0.000 0.265 241 T C 2.438 176.799 174.700 -0.565 0.000 1.038 241 T CA 4.697 66.473 62.100 -0.541 0.000 1.144 241 T CB -0.198 68.123 68.868 -0.911 0.000 0.866 241 T HN -0.283 7.616 8.240 -0.569 0.000 0.434 242 I N 0.861 120.970 120.570 -0.769 0.000 2.264 242 I HA -0.460 2.851 4.170 -1.432 0.000 0.248 242 I C 1.741 177.642 176.117 -0.360 0.000 1.111 242 I CA 3.705 64.463 61.300 -0.903 0.000 1.382 242 I CB -0.348 37.103 38.000 -0.915 0.000 1.060 242 I HN 0.100 7.859 8.210 -0.751 0.000 0.418 243 A N -1.674 120.987 122.820 -0.264 0.000 2.067 243 A HA -0.182 4.083 4.320 -0.091 0.000 0.219 243 A C 0.760 178.307 177.584 -0.062 0.000 1.158 243 A CA 2.458 54.422 52.037 -0.123 0.000 0.661 243 A CB -0.559 18.376 19.000 -0.108 0.000 0.801 243 A HN -0.298 7.644 8.150 -0.317 0.018 0.452 244 S N -4.461 111.195 115.700 -0.073 0.000 2.578 244 S HA 0.128 4.596 4.470 -0.004 0.000 0.231 244 S C -0.798 173.823 174.600 0.034 0.000 0.994 244 S CA -0.346 57.843 58.200 -0.019 0.000 0.956 244 S CB 0.492 63.669 63.200 -0.038 0.000 0.870 244 S HN -0.474 7.603 8.310 -0.138 0.150 0.494 245 N N 0.000 118.756 118.700 0.094 0.000 1.763 245 N HA 0.000 4.828 4.740 0.147 0.000 0.220 245 N CA 0.000 53.184 53.050 0.224 0.000 0.885 245 N CB 0.000 38.685 38.487 0.330 0.000 1.341 245 N HN 0.000 8.419 8.380 0.065 0.000 0.667