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 1c2h_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 4.171 4.170 0.001 0.000 0.288 16 I C 0.000 176.093 176.117 -0.040 0.000 1.063 16 I CA 0.000 61.280 61.300 -0.033 0.000 1.566 16 I CB 0.000 37.950 38.000 -0.084 0.000 1.214 17 V N 5.700 125.606 119.914 -0.013 0.000 2.435 17 V HA 0.286 4.535 4.120 -0.028 -0.146 0.290 17 V C 0.556 176.650 176.094 -0.001 0.000 1.030 17 V CA -1.744 60.549 62.300 -0.013 0.000 0.881 17 V CB 1.193 33.016 31.823 -0.000 0.000 0.983 17 V HN 0.787 8.983 8.190 0.011 0.000 0.445 18 G N 6.900 115.695 108.800 -0.009 0.000 2.198 18 G HA2 -0.400 3.556 3.960 -0.007 0.000 0.260 18 G HA3 -0.400 3.687 3.960 -0.017 -0.137 0.260 18 G C -0.776 174.132 174.900 0.014 0.000 1.025 18 G CA 0.551 45.647 45.100 -0.006 0.000 0.769 18 G HN 0.789 9.070 8.290 -0.014 0.000 0.507 19 G N -0.882 107.920 108.800 0.004 0.000 2.828 19 G HA2 0.599 4.614 3.960 0.091 0.000 0.244 19 G HA3 0.599 4.623 3.960 -0.111 -0.131 0.244 19 G C -1.682 173.254 174.900 0.060 0.000 1.365 19 G CA -1.189 43.911 45.100 -0.000 0.000 1.041 19 G HN -0.587 7.664 8.290 -0.017 0.029 0.560 20 Y N -6.005 114.276 120.300 -0.033 0.000 2.609 20 Y HA 0.450 4.982 4.550 -0.031 0.000 0.342 20 Y C -1.930 173.942 175.900 -0.046 0.000 1.058 20 Y CA -2.794 55.286 58.100 -0.034 0.000 1.055 20 Y CB 1.415 39.858 38.460 -0.028 0.000 1.292 20 Y HN 0.120 8.002 8.280 -0.664 0.000 0.476 21 T N 3.075 117.689 114.554 0.100 0.000 2.853 21 T HA -0.043 4.394 4.350 -0.095 -0.145 0.298 21 T C 0.319 175.060 174.700 0.069 0.000 0.978 21 T CA 1.953 64.058 62.100 0.008 0.000 1.152 21 T CB -0.080 68.815 68.868 0.044 0.000 0.914 21 T HN 0.206 8.552 8.240 0.176 0.000 0.539 22 c N 6.048 124.595 118.600 -0.088 0.000 2.436 22 c HA -0.080 4.534 4.570 0.074 0.000 0.277 22 c C 0.390 174.510 174.090 0.049 0.000 1.241 22 c CA 1.056 57.369 56.329 -0.027 0.000 1.721 22 c CB -0.319 42.097 42.510 -0.157 0.000 2.043 22 c HN 0.546 8.668 8.230 -0.180 0.000 0.472 23 G N -3.738 105.066 108.800 0.006 0.000 2.627 23 G HA2 -0.184 3.791 3.960 0.025 0.000 0.680 23 G HA3 -0.184 3.793 3.960 0.028 0.000 0.680 23 G C -2.739 172.160 174.900 -0.002 0.000 1.341 23 G CA -0.969 44.142 45.100 0.018 0.000 0.835 23 G HN -0.581 7.692 8.290 -0.029 0.000 0.643 24 A N 2.593 125.421 122.820 0.012 0.000 2.546 24 A HA -0.163 4.350 4.320 0.025 -0.178 0.243 24 A C 0.052 177.639 177.584 0.006 0.000 1.063 24 A CA 1.209 53.257 52.037 0.018 0.000 0.757 24 A CB 0.051 19.068 19.000 0.029 0.000 0.991 24 A HN 0.148 8.310 8.150 0.019 0.000 0.503 25 N N -2.451 116.250 118.700 0.002 0.000 2.710 25 N HA -0.385 4.342 4.740 -0.021 0.000 0.249 25 N C 0.105 175.593 175.510 -0.036 0.000 1.059 25 N CA 1.474 54.515 53.050 -0.014 0.000 0.720 25 N CB -1.163 37.327 38.487 0.005 0.000 0.983 25 N HN 0.521 8.911 8.380 0.016 0.000 0.544 26 T N -4.252 110.270 114.554 -0.053 0.000 3.107 26 T HA 0.012 4.350 4.350 -0.021 0.000 0.249 26 T C -0.601 174.042 174.700 -0.095 0.000 1.096 26 T CA 0.841 62.916 62.100 -0.042 0.000 1.012 26 T CB 0.649 69.510 68.868 -0.012 0.000 0.977 26 T HN -0.399 7.790 8.240 -0.059 0.015 0.527 27 V N 2.154 121.948 119.914 -0.199 0.000 2.384 27 V HA 0.344 4.188 4.120 -0.459 0.000 0.257 27 V C -1.255 174.517 176.094 -0.536 0.000 0.969 27 V CA -3.372 58.650 62.300 -0.464 0.000 0.910 27 V CB 1.019 32.556 31.823 -0.475 0.000 1.150 27 V HN -0.460 7.554 8.190 -0.170 0.074 0.481 28 P HA 0.055 4.503 4.420 -0.100 -0.088 0.230 28 P C 0.039 177.282 177.300 -0.096 0.000 1.158 28 P CA 1.599 64.616 63.100 -0.138 0.000 0.769 28 P CB 0.129 31.819 31.700 -0.017 0.000 0.807 29 Y N -5.627 114.701 120.300 0.047 0.000 2.466 29 Y HA 0.542 5.305 4.550 0.061 -0.177 0.272 29 Y C -0.655 175.287 175.900 0.070 0.000 1.169 29 Y CA -3.607 54.526 58.100 0.056 0.000 1.285 29 Y CB -1.403 37.086 38.460 0.048 0.000 1.078 29 Y HN -0.391 7.288 8.280 -0.897 0.063 0.523 30 Q N 2.635 122.307 119.800 -0.213 0.000 2.304 30 Q HA 0.228 4.772 4.340 0.118 -0.134 0.260 30 Q C -0.290 175.799 176.000 0.149 0.000 0.965 30 Q CA -0.094 55.699 55.803 -0.017 0.000 0.898 30 Q CB 1.320 29.940 28.738 -0.196 0.000 1.196 30 Q HN -0.567 7.231 8.270 -0.499 0.172 0.402 31 V N 1.370 121.415 119.914 0.218 0.000 2.960 31 V HA 0.780 5.139 4.120 0.205 -0.116 0.315 31 V C -1.981 174.276 176.094 0.271 0.000 1.087 31 V CA -2.742 59.684 62.300 0.209 0.000 0.982 31 V CB 3.746 35.641 31.823 0.120 0.000 1.039 31 V HN 0.291 8.606 8.190 0.210 0.000 0.437 32 S N 1.306 117.076 115.700 0.116 0.000 2.473 32 S HA 0.471 5.172 4.470 0.204 -0.110 0.307 32 S C -1.102 173.400 174.600 -0.162 0.000 1.094 32 S CA -1.940 56.257 58.200 -0.005 0.000 1.070 32 S CB 1.751 64.733 63.200 -0.364 0.000 1.019 32 S HN 0.196 8.543 8.310 0.061 0.000 0.480 33 L N 7.076 128.080 121.223 -0.365 0.000 2.275 33 L HA 0.571 4.861 4.340 -0.301 -0.130 0.288 33 L C -1.482 174.997 176.870 -0.652 0.000 1.046 33 L CA -0.873 53.644 54.840 -0.539 0.000 0.805 33 L CB 0.949 42.492 42.059 -0.861 0.000 1.193 33 L HN 0.788 8.763 8.230 -0.425 0.000 0.426 38 G N -0.074 108.476 108.800 -0.418 0.000 2.238 38 G HA2 -0.239 3.641 3.960 -0.134 0.000 0.217 38 G HA3 -0.239 3.652 3.960 -0.114 0.000 0.217 38 G C -1.795 173.058 174.900 -0.079 0.000 0.996 38 G CA 0.220 45.195 45.100 -0.208 0.000 0.632 38 G HN 0.254 8.678 8.290 -0.336 -0.336 0.503 39 Y N -6.814 113.464 120.300 -0.037 0.000 2.702 39 Y HA 0.225 4.739 4.550 -0.060 0.000 0.336 39 Y C -2.497 173.415 175.900 0.021 0.000 1.203 39 Y CA -3.413 54.670 58.100 -0.028 0.000 1.072 39 Y CB 0.822 39.265 38.460 -0.027 0.000 1.327 39 Y HN -1.248 6.505 8.280 -0.856 0.014 0.456 40 H N 2.190 121.282 119.070 0.037 0.000 2.722 40 H HA 0.096 4.698 4.556 -0.231 -0.184 0.328 40 H C -0.294 175.122 175.328 0.148 0.000 1.067 40 H CA -0.441 55.557 56.048 -0.085 0.000 1.447 40 H CB 0.492 30.135 29.762 -0.199 0.000 1.469 40 H HN 0.272 8.689 8.280 0.228 0.000 0.544 41 F N 2.588 122.182 119.950 -0.593 0.000 2.880 41 F HA 0.325 4.792 4.527 -0.100 0.000 0.346 41 F C -2.081 173.499 175.800 -0.367 0.000 1.054 41 F CA -1.445 56.382 58.000 -0.288 0.000 1.151 41 F CB 1.237 40.211 39.000 -0.043 0.000 1.066 41 F HN -0.017 7.592 8.300 -1.152 0.000 0.566 42 c N -1.611 116.297 118.600 -1.154 0.000 3.306 42 c HA 0.239 4.689 4.570 -0.201 0.000 0.335 42 c C -1.820 172.070 174.090 -0.332 0.000 1.382 42 c CA 0.027 56.033 56.329 -0.538 0.000 1.254 42 c CB 4.057 46.304 42.510 -0.438 0.000 1.555 42 c HN -0.829 6.415 8.230 -1.645 0.000 0.463 43 G N -1.057 107.740 108.800 -0.005 0.000 2.705 43 G HA2 0.813 5.096 3.960 0.259 0.000 0.299 43 G HA3 0.813 4.917 3.960 0.240 0.000 0.299 43 G C -2.305 172.631 174.900 0.060 0.000 1.315 43 G CA -1.651 43.548 45.100 0.164 0.000 1.045 43 G HN 0.758 9.052 8.290 0.006 0.000 0.517 44 G N -3.891 104.979 108.800 0.117 0.000 2.495 44 G HA2 0.387 4.674 3.960 0.090 0.000 0.294 44 G HA3 0.387 4.390 3.960 0.071 0.000 0.294 44 G C -2.738 172.256 174.900 0.156 0.000 1.397 44 G CA 0.294 45.455 45.100 0.101 0.000 0.790 44 G HN -0.608 7.787 8.290 0.175 0.000 0.486 45 S N -0.637 115.158 115.700 0.159 0.000 2.521 45 S HA 0.813 5.636 4.470 0.276 -0.187 0.295 45 S C -1.500 173.206 174.600 0.178 0.000 1.098 45 S CA -1.054 57.270 58.200 0.208 0.000 0.999 45 S CB 3.797 67.103 63.200 0.176 0.000 1.034 45 S HN 0.486 8.877 8.310 0.135 0.000 0.483 46 L N 5.670 127.013 121.223 0.201 0.000 2.281 46 L HA 0.233 4.781 4.340 0.151 -0.117 0.285 46 L C -0.733 176.224 176.870 0.145 0.000 1.074 46 L CA -0.312 54.626 54.840 0.164 0.000 0.817 46 L CB 1.363 43.516 42.059 0.157 0.000 1.168 46 L HN 0.359 8.748 8.230 0.264 0.000 0.434 47 I N -0.078 120.574 120.570 0.137 0.000 4.070 47 I HA 0.442 4.811 4.170 0.072 -0.155 0.328 47 I C -0.892 175.284 176.117 0.099 0.000 1.298 47 I CA -0.447 60.912 61.300 0.099 0.000 1.173 47 I CB 0.763 38.812 38.000 0.081 0.000 1.051 47 I HN 0.383 8.692 8.210 0.164 0.000 0.409 48 N N -3.125 115.656 118.700 0.134 0.000 3.348 48 N HA 0.097 4.893 4.740 0.094 0.000 0.233 48 N C -0.356 175.231 175.510 0.128 0.000 1.440 48 N CA -0.371 52.754 53.050 0.124 0.000 0.887 48 N CB 0.962 39.529 38.487 0.133 0.000 1.410 48 N HN -0.968 7.505 8.380 0.156 0.000 0.502 49 S N -1.167 114.593 115.700 0.099 0.000 2.440 49 S HA -0.323 4.184 4.470 0.062 0.000 0.240 49 S C 0.761 175.387 174.600 0.043 0.000 1.014 49 S CA 3.012 61.253 58.200 0.068 0.000 0.980 49 S CB -0.038 63.191 63.200 0.049 0.000 0.775 49 S HN 0.549 8.913 8.310 0.091 0.000 0.499 50 Q N -2.370 117.467 119.800 0.061 0.000 2.217 50 Q HA 0.225 4.488 4.340 -0.128 0.000 0.217 50 Q C -1.226 174.612 176.000 -0.269 0.000 0.844 50 Q CA 0.076 55.816 55.803 -0.105 0.000 0.957 50 Q CB 1.089 29.746 28.738 -0.136 0.000 1.127 50 Q HN 0.053 8.375 8.270 0.144 0.035 0.503 51 W N -1.956 119.349 121.300 0.010 0.000 2.915 51 W HA 0.545 5.385 4.660 0.007 -0.176 0.337 51 W C -1.656 174.876 176.519 0.022 0.000 1.102 51 W CA -0.752 56.598 57.345 0.007 0.000 1.224 51 W CB 3.921 33.373 29.460 -0.013 0.000 1.416 51 W HN -0.441 7.883 8.180 0.240 0.000 0.503 52 V N 1.777 121.855 119.914 0.274 0.000 2.735 52 V HA 0.822 5.230 4.120 0.175 -0.184 0.310 52 V C -1.412 174.802 176.094 0.199 0.000 1.061 52 V CA -1.804 60.608 62.300 0.187 0.000 0.913 52 V CB 3.655 35.545 31.823 0.111 0.000 1.005 52 V HN 0.845 9.213 8.190 0.296 0.000 0.428 53 V N 1.946 121.954 119.914 0.157 0.000 2.513 53 V HA 0.966 5.357 4.120 0.163 -0.174 0.299 53 V C -1.625 174.536 176.094 0.112 0.000 1.035 53 V CA -2.717 59.668 62.300 0.142 0.000 0.889 53 V CB 2.284 34.182 31.823 0.124 0.000 0.988 53 V HN 0.519 8.797 8.190 0.146 0.000 0.440 54 S N 4.412 120.169 115.700 0.094 0.000 2.998 54 S HA 0.516 5.224 4.470 0.058 -0.203 0.321 54 S C -1.857 172.754 174.600 0.019 0.000 1.171 54 S CA -2.798 55.432 58.200 0.051 0.000 0.882 54 S CB 1.843 65.059 63.200 0.027 0.000 1.301 54 S HN 0.660 9.037 8.310 0.112 0.000 0.629 55 A N -0.956 121.841 122.820 -0.039 0.000 2.306 55 A HA 0.407 4.844 4.320 -0.045 -0.144 0.314 55 A C 0.277 177.771 177.584 -0.151 0.000 1.164 55 A CA -1.160 50.826 52.037 -0.084 0.000 0.822 55 A CB 1.655 20.577 19.000 -0.130 0.000 1.130 55 A HN 0.305 8.420 8.150 -0.059 0.000 0.496 56 A N 4.387 127.064 122.820 -0.239 0.000 2.019 56 A HA -0.218 3.965 4.320 -0.228 0.000 0.219 56 A C 1.119 178.496 177.584 -0.345 0.000 1.164 56 A CA 2.682 54.452 52.037 -0.446 0.000 0.644 56 A CB -0.295 18.049 19.000 -1.093 0.000 0.805 56 A HN 0.582 8.639 8.150 -0.218 -0.038 0.449 57 H N -5.026 113.925 119.070 -0.199 0.000 2.556 57 H HA -0.026 4.579 4.556 0.081 0.000 0.268 57 H C -0.056 175.334 175.328 0.103 0.000 0.996 57 H CA 1.127 57.199 56.048 0.040 0.000 1.157 57 H CB -1.314 28.533 29.762 0.141 0.000 1.355 57 H HN -0.018 8.477 8.280 -0.065 -0.254 0.597 58 c N -1.325 117.172 118.600 -0.172 0.000 2.754 58 c HA 0.063 4.676 4.570 0.072 0.000 0.276 58 c C 0.181 174.353 174.090 0.137 0.000 1.264 58 c CA -0.157 56.172 56.329 -0.000 0.000 1.700 58 c CB -1.504 40.971 42.510 -0.059 0.000 1.885 58 c HN -0.300 7.595 8.230 -0.218 0.205 0.607 59 Y N 2.727 123.024 120.300 -0.005 0.000 2.620 59 Y HA -0.202 4.365 4.550 0.029 0.000 0.330 59 Y C -0.763 175.120 175.900 -0.028 0.000 1.186 59 Y CA 1.895 59.996 58.100 0.002 0.000 1.467 59 Y CB 0.604 39.050 38.460 -0.023 0.000 1.262 59 Y HN -0.499 7.693 8.280 0.154 0.180 0.550 60 K N 7.386 127.146 120.400 -1.067 0.000 2.579 60 K HA 0.249 4.049 4.320 -0.866 0.000 0.284 60 K C -2.334 173.745 176.600 -0.869 0.000 0.990 60 K CA -1.475 54.266 56.287 -0.910 0.000 0.880 60 K CB 3.586 35.693 32.500 -0.655 0.000 1.488 60 K HN 0.193 7.882 8.250 -0.936 0.000 0.425 61 S N -1.188 114.187 115.700 -0.541 0.000 2.525 61 S HA 0.112 4.445 4.470 -0.229 0.000 0.290 61 S C 0.306 174.780 174.600 -0.210 0.000 1.152 61 S CA -0.774 57.262 58.200 -0.274 0.000 1.072 61 S CB 0.742 63.859 63.200 -0.138 0.000 1.027 61 S HN -0.060 7.968 8.310 -0.471 0.000 0.500 62 G N 4.858 113.577 108.800 -0.136 0.000 2.248 62 G HA2 -0.319 3.588 3.960 -0.089 0.000 0.252 62 G HA3 -0.319 3.561 3.960 -0.133 0.000 0.252 62 G C -1.991 172.840 174.900 -0.116 0.000 1.085 62 G CA -0.114 44.915 45.100 -0.118 0.000 0.845 62 G HN 0.352 8.582 8.290 -0.101 0.000 0.494 63 I N -0.864 119.659 120.570 -0.079 0.000 2.385 63 I HA 0.122 4.422 4.170 0.003 -0.128 0.294 63 I C -2.005 174.082 176.117 -0.049 0.000 0.988 63 I CA -1.011 60.274 61.300 -0.025 0.000 1.265 63 I CB 1.451 39.469 38.000 0.031 0.000 1.388 63 I HN -0.469 7.696 8.210 -0.076 0.000 0.480 64 Q N 5.878 125.637 119.800 -0.070 0.000 2.353 64 Q HA 0.462 4.859 4.340 -0.064 -0.096 0.268 64 Q C -1.774 174.164 176.000 -0.103 0.000 1.045 64 Q CA -1.418 54.331 55.803 -0.090 0.000 0.811 64 Q CB 3.977 32.633 28.738 -0.136 0.000 1.305 64 Q HN 0.406 8.637 8.270 -0.065 0.000 0.447 65 V N 6.875 126.752 119.914 -0.063 0.000 2.427 65 V HA 0.315 4.517 4.120 -0.081 -0.130 0.286 65 V C -1.252 174.842 176.094 0.000 0.000 1.034 65 V CA -0.277 61.997 62.300 -0.044 0.000 0.893 65 V CB 1.221 33.036 31.823 -0.014 0.000 0.982 65 V HN 1.103 9.160 8.190 -0.040 0.109 0.452 66 R N 6.268 126.761 120.500 -0.010 0.000 2.409 66 R HA 0.733 5.447 4.340 0.299 -0.194 0.313 66 R C -1.099 175.275 176.300 0.122 0.000 0.953 66 R CA -1.338 54.827 56.100 0.108 0.000 0.849 66 R CB 1.726 31.976 30.300 -0.083 0.000 1.171 66 R HN 0.573 8.811 8.270 -0.053 0.000 0.458 70 E N -0.018 120.284 120.200 0.170 0.000 2.313 70 E HA 0.161 4.601 4.350 0.151 0.000 0.272 70 E C -1.711 175.085 176.600 0.327 0.000 1.038 70 E CA 0.092 56.619 56.400 0.213 0.000 0.863 70 E CB 1.360 31.144 29.700 0.139 0.000 1.060 70 E HN -0.625 7.810 8.360 0.191 0.039 0.402 71 D N 1.574 122.142 120.400 0.279 0.000 2.957 71 D HA 0.056 4.900 4.640 0.341 0.000 0.175 71 D C -1.081 175.426 176.300 0.345 0.000 1.502 71 D CA 1.025 55.196 54.000 0.284 0.000 1.524 71 D CB 2.480 43.361 40.800 0.135 0.000 1.300 71 D HN 0.090 8.576 8.370 0.194 0.000 0.241 72 N N 1.034 119.846 118.700 0.187 0.000 2.411 72 N HA 0.240 5.248 4.740 0.193 -0.152 0.259 72 N C 2.081 177.614 175.510 0.038 0.000 1.103 72 N CA -0.379 52.753 53.050 0.137 0.000 0.954 72 N CB 0.678 39.216 38.487 0.085 0.000 1.085 72 N HN -0.350 8.423 8.380 0.138 -0.310 0.485 73 I N 0.575 121.086 120.570 -0.098 0.000 3.564 73 I HA -0.035 4.152 4.170 -0.223 -0.150 0.294 73 I C -0.676 175.361 176.117 -0.134 0.000 1.289 73 I CA 1.076 62.216 61.300 -0.265 0.000 1.325 73 I CB -0.864 36.733 38.000 -0.673 0.000 1.039 73 I HN 0.679 8.847 8.210 -0.070 0.000 0.474 74 N N -1.685 116.984 118.700 -0.053 0.000 2.220 74 N HA 0.156 4.877 4.740 -0.031 0.000 0.195 74 N C -0.836 174.682 175.510 0.013 0.000 1.123 74 N CA -0.084 52.955 53.050 -0.019 0.000 0.874 74 N CB 2.375 40.861 38.487 -0.002 0.000 0.995 74 N HN 0.081 8.743 8.380 -0.027 -0.299 0.498 75 V N -0.010 119.920 119.914 0.027 0.000 2.588 75 V HA 0.032 4.174 4.120 0.037 0.000 0.304 75 V C -1.341 174.787 176.094 0.055 0.000 1.042 75 V CA -1.167 61.157 62.300 0.040 0.000 0.877 75 V CB 3.122 34.967 31.823 0.036 0.000 0.996 75 V HN -0.776 7.498 8.190 0.022 -0.070 0.425 76 V N 7.597 127.546 119.914 0.057 0.000 2.405 76 V HA -0.220 4.159 4.120 0.070 -0.217 0.264 76 V C 0.277 176.380 176.094 0.015 0.000 1.048 76 V CA 0.783 63.111 62.300 0.045 0.000 0.966 76 V CB -0.268 31.572 31.823 0.029 0.000 1.015 76 V HN 0.275 8.496 8.190 0.051 0.000 0.477 77 E N 9.061 129.269 120.200 0.013 0.000 2.474 77 E HA 0.051 4.407 4.350 0.010 0.000 0.195 77 E C 0.500 177.094 176.600 -0.010 0.000 1.039 77 E CA -0.107 56.298 56.400 0.008 0.000 0.881 77 E CB 0.332 30.047 29.700 0.024 0.000 0.970 77 E HN 0.363 9.176 8.360 0.019 -0.442 0.486 78 G N -1.206 107.573 108.800 -0.035 0.000 2.238 78 G HA2 -0.349 3.571 3.960 -0.065 0.000 0.217 78 G HA3 -0.349 3.591 3.960 -0.033 0.000 0.217 78 G C -0.007 174.857 174.900 -0.059 0.000 0.996 78 G CA 0.449 45.519 45.100 -0.049 0.000 0.632 78 G HN -0.093 8.308 8.290 -0.046 -0.139 0.503 79 N N 0.135 118.807 118.700 -0.047 0.000 2.214 79 N HA 0.138 4.851 4.740 -0.046 0.000 0.214 79 N C -1.315 174.159 175.510 -0.060 0.000 1.132 79 N CA -0.480 52.544 53.050 -0.042 0.000 0.856 79 N CB 0.740 39.221 38.487 -0.008 0.000 1.020 79 N HN 0.391 8.700 8.380 -0.030 0.053 0.509 80 E N -0.200 119.924 120.200 -0.126 0.000 2.318 80 E HA 0.392 4.952 4.350 -0.048 -0.239 0.265 80 E C -0.324 176.102 176.600 -0.289 0.000 1.069 80 E CA -0.478 55.813 56.400 -0.182 0.000 0.893 80 E CB 0.891 30.396 29.700 -0.325 0.000 1.076 80 E HN -0.464 7.741 8.360 -0.148 0.066 0.414 81 Q N 0.156 119.851 119.800 -0.176 0.000 2.274 81 Q HA 0.310 4.515 4.340 -0.225 0.000 0.268 81 Q C -1.413 174.650 176.000 0.104 0.000 1.015 81 Q CA -1.172 54.560 55.803 -0.119 0.000 0.775 81 Q CB 3.248 31.971 28.738 -0.026 0.000 1.256 81 Q HN 0.330 8.587 8.270 -0.023 0.000 0.442 82 F N 3.665 123.597 119.950 -0.031 0.000 2.375 82 F HA 0.808 5.489 4.527 -0.047 -0.182 0.361 82 F C 0.086 175.862 175.800 -0.040 0.000 1.117 82 F CA -1.611 56.364 58.000 -0.041 0.000 1.037 82 F CB 1.717 40.691 39.000 -0.044 0.000 1.192 82 F HN 0.307 8.580 8.300 -0.046 0.000 0.452 83 I N 3.566 124.215 120.570 0.131 0.000 2.533 83 I HA 0.284 4.481 4.170 0.045 0.000 0.290 83 I C -1.239 174.880 176.117 0.002 0.000 1.056 83 I CA -1.332 59.994 61.300 0.045 0.000 1.057 83 I CB 4.341 42.352 38.000 0.018 0.000 1.240 83 I HN 1.062 9.238 8.210 0.122 0.107 0.423 84 S N 6.254 121.945 115.700 -0.014 0.000 2.603 84 S HA 0.145 4.591 4.470 -0.041 0.000 0.268 84 S C -0.722 173.845 174.600 -0.055 0.000 1.317 84 S CA 0.675 58.853 58.200 -0.037 0.000 1.012 84 S CB 1.151 64.330 63.200 -0.036 0.000 0.926 84 S HN 0.511 8.816 8.310 -0.008 0.000 0.539 85 A N 2.188 124.974 122.820 -0.058 0.000 2.327 85 A HA 0.364 4.770 4.320 -0.102 -0.147 0.283 85 A C -0.372 177.166 177.584 -0.076 0.000 1.127 85 A CA -0.679 51.313 52.037 -0.075 0.000 0.810 85 A CB 1.000 19.971 19.000 -0.049 0.000 1.066 85 A HN -0.227 7.892 8.150 -0.051 0.000 0.492 86 S N 2.512 118.147 115.700 -0.108 0.000 2.483 86 S HA 0.081 4.515 4.470 -0.061 0.000 0.221 86 S C 0.502 175.066 174.600 -0.059 0.000 1.030 86 S CA 1.151 59.300 58.200 -0.086 0.000 0.925 86 S CB 1.316 64.447 63.200 -0.115 0.000 0.795 86 S HN 0.671 8.777 8.310 -0.158 0.110 0.511 87 K N 0.863 121.220 120.400 -0.072 0.000 2.562 87 K HA 0.218 4.557 4.320 0.030 0.000 0.267 87 K C -2.398 174.226 176.600 0.040 0.000 0.938 87 K CA 0.435 56.722 56.287 -0.001 0.000 0.840 87 K CB 3.024 35.530 32.500 0.010 0.000 1.390 87 K HN -0.832 7.345 8.250 -0.122 0.000 0.428 88 S N 3.605 119.377 115.700 0.120 0.000 2.500 88 S HA 0.874 5.625 4.470 0.183 -0.172 0.301 88 S C -0.814 173.905 174.600 0.198 0.000 1.092 88 S CA -0.767 57.546 58.200 0.187 0.000 1.030 88 S CB 2.267 65.624 63.200 0.262 0.000 1.031 88 S HN 0.144 8.527 8.310 0.122 0.000 0.483 89 I N 7.476 128.184 120.570 0.230 0.000 2.476 89 I HA 0.178 4.448 4.170 0.166 0.000 0.281 89 I C -1.576 174.695 176.117 0.258 0.000 1.040 89 I CA -0.464 60.973 61.300 0.228 0.000 1.094 89 I CB 2.492 40.648 38.000 0.260 0.000 1.219 89 I HN 0.917 9.281 8.210 0.258 0.000 0.450 90 V N 7.551 127.545 119.914 0.133 0.000 2.649 90 V HA -0.137 4.032 4.120 0.082 0.000 0.292 90 V C -0.349 175.807 176.094 0.102 0.000 1.055 90 V CA -0.665 61.672 62.300 0.062 0.000 1.023 90 V CB 0.946 32.708 31.823 -0.101 0.000 0.992 90 V HN 0.284 8.511 8.190 0.061 0.000 0.480 91 H N 8.256 127.259 119.070 -0.112 0.000 3.064 91 H HA -0.093 4.065 4.556 -0.664 0.000 0.329 91 H C 0.012 175.241 175.328 -0.165 0.000 1.020 91 H CA 0.905 56.710 56.048 -0.405 0.000 1.402 91 H CB 1.657 31.076 29.762 -0.572 0.000 1.379 91 H HN -0.096 8.198 8.280 0.024 0.000 0.594 92 P HA -0.138 4.228 4.420 -0.090 0.000 0.217 92 P C -0.457 176.806 177.300 -0.062 0.000 1.148 92 P CA 1.871 64.837 63.100 -0.223 0.000 0.828 92 P CB 0.281 31.831 31.700 -0.251 0.000 0.783 93 S N -2.770 112.977 115.700 0.079 0.000 2.574 93 S HA 0.047 4.560 4.470 0.072 0.000 0.242 93 S C -1.322 173.393 174.600 0.192 0.000 0.982 93 S CA -0.609 57.697 58.200 0.177 0.000 0.977 93 S CB 0.495 63.813 63.200 0.198 0.000 0.814 93 S HN -0.525 7.753 8.310 0.003 0.034 0.464 94 Y N 3.888 124.236 120.300 0.080 0.000 2.526 94 Y HA -0.253 4.478 4.550 -0.023 -0.194 0.330 94 Y C -0.808 175.084 175.900 -0.014 0.000 1.156 94 Y CA 0.798 58.902 58.100 0.006 0.000 1.419 94 Y CB 0.944 39.404 38.460 -0.000 0.000 1.250 94 Y HN -0.803 7.590 8.280 0.295 0.064 0.540 95 N N 7.663 125.966 118.700 -0.662 0.000 2.518 95 N HA 0.212 4.682 4.740 -0.450 0.000 0.254 95 N C -0.377 174.575 175.510 -0.930 0.000 0.979 95 N CA -1.266 51.425 53.050 -0.598 0.000 0.930 95 N CB 1.480 39.786 38.487 -0.302 0.000 1.152 95 N HN -0.023 8.040 8.380 -0.528 0.000 0.505 96 S N 7.167 122.348 115.700 -0.864 0.000 2.547 96 S HA -0.113 3.972 4.470 -0.642 0.000 0.235 96 S C 0.865 175.284 174.600 -0.302 0.000 0.980 96 S CA 1.887 59.764 58.200 -0.537 0.000 0.941 96 S CB -0.461 62.643 63.200 -0.160 0.000 0.763 96 S HN 0.631 8.553 8.310 -0.646 0.000 0.532 97 N N 0.952 119.475 118.700 -0.295 0.000 2.387 97 N HA 0.010 4.630 4.740 -0.201 0.000 0.176 97 N C 0.865 176.203 175.510 -0.286 0.000 1.022 97 N CA 1.926 54.837 53.050 -0.232 0.000 0.883 97 N CB 0.813 39.194 38.487 -0.177 0.000 1.019 97 N HN 0.094 8.499 8.380 -0.325 -0.220 0.435 98 T N -3.727 110.643 114.554 -0.307 0.000 3.001 98 T HA 0.093 4.213 4.350 -0.384 0.000 0.251 98 T C 0.149 174.605 174.700 -0.407 0.000 1.040 98 T CA -0.185 61.712 62.100 -0.338 0.000 0.985 98 T CB 1.531 70.265 68.868 -0.222 0.000 1.011 98 T HN -0.577 7.702 8.240 -0.306 -0.222 0.509 99 L N -3.476 117.538 121.223 -0.348 0.000 4.291 99 L HA -0.493 3.849 4.340 -0.112 -0.070 0.413 99 L C -1.874 174.986 176.870 -0.015 0.000 1.162 99 L CA 0.555 55.286 54.840 -0.181 0.000 0.961 99 L CB -2.637 39.249 42.059 -0.289 0.000 2.095 99 L HN -0.032 7.971 8.230 -0.377 0.000 0.838 100 N N -0.731 117.919 118.700 -0.083 0.000 2.520 100 N HA -0.136 4.647 4.740 0.071 0.000 0.273 100 N C -0.101 175.444 175.510 0.058 0.000 1.155 100 N CA 0.668 53.725 53.050 0.011 0.000 0.967 100 N CB 1.143 39.614 38.487 -0.027 0.000 1.092 100 N HN -0.783 7.442 8.380 -0.188 0.043 0.457 101 N N -0.990 117.753 118.700 0.072 0.000 2.756 101 N HA -0.473 4.211 4.740 -0.094 0.000 0.248 101 N C -1.391 174.112 175.510 -0.011 0.000 1.062 101 N CA 1.349 54.351 53.050 -0.079 0.000 0.696 101 N CB -1.524 36.828 38.487 -0.225 0.000 0.946 101 N HN 0.639 9.083 8.380 0.107 0.000 0.548 102 D N -0.738 119.705 120.400 0.073 0.000 2.551 102 D HA 0.067 4.770 4.640 0.107 0.000 0.223 102 D C -2.036 174.202 176.300 -0.105 0.000 1.144 102 D CA -0.261 53.794 54.000 0.093 0.000 1.025 102 D CB -0.634 40.316 40.800 0.249 0.000 1.085 102 D HN -0.097 8.322 8.370 0.082 0.000 0.506 103 I N 2.633 123.069 120.570 -0.223 0.000 2.752 103 I HA 0.705 5.006 4.170 -0.092 -0.186 0.295 103 I C -3.152 172.941 176.117 -0.041 0.000 1.219 103 I CA -1.411 59.787 61.300 -0.170 0.000 1.030 103 I CB 4.032 41.811 38.000 -0.368 0.000 1.259 103 I HN -0.097 7.930 8.210 -0.241 0.038 0.423 104 M N 6.517 126.168 119.600 0.085 0.000 2.531 104 M HA 0.723 5.533 4.480 0.292 -0.155 0.286 104 M C -2.835 173.613 176.300 0.247 0.000 1.232 104 M CA -1.128 54.288 55.300 0.192 0.000 0.877 104 M CB 4.954 37.610 32.600 0.094 0.000 1.726 104 M HN 0.473 8.806 8.290 0.073 0.000 0.463 105 L N 2.511 123.911 121.223 0.296 0.000 2.329 105 L HA 0.902 5.581 4.340 0.261 -0.183 0.279 105 L C -1.422 175.651 176.870 0.337 0.000 1.014 105 L CA -1.480 53.536 54.840 0.294 0.000 0.814 105 L CB 3.417 45.598 42.059 0.204 0.000 1.257 105 L HN 0.511 8.943 8.230 0.336 0.000 0.424 106 I N 1.189 121.947 120.570 0.314 0.000 2.466 106 I HA 0.535 4.945 4.170 0.120 -0.168 0.289 106 I C -1.755 174.313 176.117 -0.082 0.000 1.026 106 I CA -1.251 60.127 61.300 0.130 0.000 1.078 106 I CB 3.312 41.359 38.000 0.078 0.000 1.249 106 I HN 0.942 9.357 8.210 0.343 0.000 0.429 107 K N 6.737 126.881 120.400 -0.427 0.000 2.156 107 K HA 0.692 4.413 4.320 -1.284 -0.172 0.271 107 K C -1.084 175.234 176.600 -0.470 0.000 0.995 107 K CA -1.953 53.742 56.287 -0.986 0.000 0.890 107 K CB 3.132 34.831 32.500 -1.335 0.000 1.073 107 K HN 0.741 8.834 8.250 -0.261 0.000 0.454 108 L N 4.667 125.637 121.223 -0.421 0.000 2.375 108 L HA 0.202 4.565 4.340 -0.165 -0.122 0.271 108 L C 1.770 178.520 176.870 -0.200 0.000 1.107 108 L CA 0.010 54.717 54.840 -0.222 0.000 0.806 108 L CB 0.373 42.341 42.059 -0.152 0.000 1.146 108 L HN 0.590 8.486 8.230 -0.557 0.000 0.447 109 K N 3.002 123.326 120.400 -0.128 0.000 2.097 109 K HA -0.258 3.995 4.320 -0.110 0.000 0.205 109 K C -0.023 176.528 176.600 -0.081 0.000 1.050 109 K CA 2.662 58.891 56.287 -0.097 0.000 0.938 109 K CB 0.422 32.885 32.500 -0.063 0.000 0.718 109 K HN 0.549 8.737 8.250 -0.104 0.000 0.442 110 S N -3.448 112.210 115.700 -0.071 0.000 2.570 110 S HA 0.161 4.601 4.470 -0.049 0.000 0.286 110 S C -1.803 172.766 174.600 -0.052 0.000 1.099 110 S CA -0.555 57.615 58.200 -0.050 0.000 0.913 110 S CB 2.901 66.083 63.200 -0.031 0.000 1.085 110 S HN -0.412 7.839 8.310 -0.071 0.016 0.480 111 A N 1.086 123.884 122.820 -0.037 0.000 2.371 111 A HA -0.046 4.391 4.320 -0.038 -0.140 0.257 111 A C -0.877 176.700 177.584 -0.012 0.000 1.089 111 A CA -0.084 51.938 52.037 -0.025 0.000 0.794 111 A CB 0.785 19.781 19.000 -0.007 0.000 1.029 111 A HN 0.141 8.272 8.150 -0.030 0.000 0.488 112 A N 1.295 124.114 122.820 -0.001 0.000 2.304 112 A HA 0.113 4.513 4.320 0.003 -0.078 0.271 112 A C -0.589 177.002 177.584 0.012 0.000 1.091 112 A CA -0.922 51.121 52.037 0.009 0.000 0.812 112 A CB 1.402 20.417 19.000 0.024 0.000 1.056 112 A HN 0.156 8.195 8.150 0.002 0.112 0.489 113 S N 0.375 116.080 115.700 0.009 0.000 2.422 113 S HA 0.110 4.586 4.470 0.011 0.000 0.308 113 S C -1.047 173.563 174.600 0.016 0.000 1.097 113 S CA -0.472 57.733 58.200 0.008 0.000 1.099 113 S CB 0.752 63.952 63.200 -0.001 0.000 0.976 113 S HN 0.044 8.709 8.310 0.005 -0.351 0.471 114 L N 6.525 127.761 121.223 0.022 0.000 2.326 114 L HA 0.148 4.640 4.340 0.035 -0.131 0.278 114 L C -0.481 176.403 176.870 0.024 0.000 1.092 114 L CA -0.316 54.542 54.840 0.030 0.000 0.810 114 L CB 0.301 42.383 42.059 0.038 0.000 1.153 114 L HN 0.337 8.579 8.230 0.021 0.000 0.439 115 N N 3.839 122.554 118.700 0.025 0.000 3.526 115 N HA 0.203 4.954 4.740 0.019 0.000 0.328 115 N C -1.132 174.393 175.510 0.024 0.000 1.601 115 N CA -0.763 52.299 53.050 0.020 0.000 0.834 115 N CB 0.677 39.171 38.487 0.011 0.000 1.983 115 N HN 0.328 8.617 8.380 0.031 0.109 0.579 116 S N -1.190 114.522 115.700 0.019 0.000 2.382 116 S HA -0.205 4.281 4.470 0.026 0.000 0.228 116 S C 0.609 175.221 174.600 0.020 0.000 1.027 116 S CA 2.495 60.707 58.200 0.021 0.000 0.991 116 S CB 0.099 63.308 63.200 0.015 0.000 0.823 116 S HN 0.147 8.466 8.310 0.014 0.000 0.469 117 R N -1.378 119.132 120.500 0.016 0.000 2.210 117 R HA -0.088 4.258 4.340 0.008 0.000 0.203 117 R C -1.350 174.961 176.300 0.019 0.000 1.010 117 R CA 1.131 57.239 56.100 0.013 0.000 1.008 117 R CB 1.061 31.367 30.300 0.010 0.000 0.923 117 R HN -0.120 8.414 8.270 0.014 -0.256 0.469 118 V N -1.396 118.535 119.914 0.028 0.000 2.376 118 V HA 0.281 4.616 4.120 0.045 -0.187 0.287 118 V C -2.011 174.118 176.094 0.058 0.000 1.015 118 V CA -1.197 61.129 62.300 0.043 0.000 0.834 118 V CB 1.810 33.655 31.823 0.037 0.000 1.001 118 V HN -0.452 7.998 8.190 0.026 -0.245 0.428 119 A N 7.026 129.897 122.820 0.085 0.000 2.527 119 A HA 0.478 4.848 4.320 0.085 0.000 0.293 119 A C -2.563 175.113 177.584 0.154 0.000 1.117 119 A CA -1.292 50.810 52.037 0.108 0.000 0.723 119 A CB 3.343 22.410 19.000 0.112 0.000 1.313 119 A HN 0.398 8.480 8.150 0.090 0.122 0.411 120 S N -1.771 114.007 115.700 0.130 0.000 2.713 120 S HA 0.641 5.339 4.470 0.169 -0.127 0.283 120 S C -0.768 173.894 174.600 0.103 0.000 1.161 120 S CA -1.593 56.685 58.200 0.131 0.000 0.999 120 S CB 1.941 65.196 63.200 0.092 0.000 1.039 120 S HN -0.021 8.350 8.310 0.101 0.000 0.548 121 I N 0.524 121.114 120.570 0.033 0.000 2.648 121 I HA 0.199 4.301 4.170 -0.114 0.000 0.304 121 I C -1.236 174.838 176.117 -0.072 0.000 1.009 121 I CA -1.907 59.316 61.300 -0.128 0.000 1.114 121 I CB 3.652 41.371 38.000 -0.469 0.000 1.293 121 I HN 0.468 8.712 8.210 0.057 0.000 0.449 122 S N 5.781 121.432 115.700 -0.081 0.000 2.584 122 S HA 0.246 4.702 4.470 -0.023 0.000 0.273 122 S C -0.804 173.770 174.600 -0.043 0.000 1.311 122 S CA 0.011 58.185 58.200 -0.044 0.000 1.034 122 S CB 0.821 63.999 63.200 -0.036 0.000 0.939 122 S HN 0.360 8.604 8.310 -0.109 0.000 0.513 123 L N 2.885 124.097 121.223 -0.019 0.000 2.399 123 L HA 0.259 4.600 4.340 0.002 0.000 0.266 123 L C -1.546 175.322 176.870 -0.004 0.000 1.114 123 L CA -2.765 52.074 54.840 -0.001 0.000 0.804 123 L CB 0.108 42.174 42.059 0.011 0.000 1.146 123 L HN 0.384 8.605 8.230 -0.014 0.000 0.451 124 P HA 0.191 4.602 4.420 -0.016 0.000 0.277 124 P C -1.208 176.091 177.300 -0.000 0.000 1.240 124 P CA -0.635 62.463 63.100 -0.004 0.000 0.798 124 P CB 0.707 32.407 31.700 -0.000 0.000 0.979 128 c N 1.265 119.841 118.600 -0.041 0.000 2.534 128 c HA 0.117 4.648 4.570 -0.064 0.000 0.385 128 c C 0.257 174.287 174.090 -0.100 0.000 1.264 128 c CA -0.089 56.200 56.329 -0.067 0.000 2.342 128 c CB 0.110 42.586 42.510 -0.057 0.000 2.564 128 c HN -0.036 8.173 8.230 -0.035 0.000 0.603 129 A N 2.455 125.179 122.820 -0.160 0.000 2.302 129 A HA 0.025 4.272 4.320 -0.122 0.000 0.285 129 A C -0.863 176.613 177.584 -0.181 0.000 1.105 129 A CA -0.152 51.782 52.037 -0.172 0.000 0.816 129 A CB 0.735 19.604 19.000 -0.219 0.000 1.067 129 A HN 0.053 8.084 8.150 -0.199 0.000 0.489 133 G N 1.035 109.793 108.800 -0.070 0.000 2.279 133 G HA2 -0.278 3.650 3.960 -0.053 0.000 0.223 133 G HA3 -0.278 3.654 3.960 -0.046 0.000 0.223 133 G C -0.097 174.765 174.900 -0.063 0.000 1.015 133 G CA -0.032 45.033 45.100 -0.057 0.000 0.621 133 G HN 0.650 8.773 8.290 -0.076 0.121 0.506 134 T N 4.383 118.888 114.554 -0.082 0.000 2.928 134 T HA -0.158 4.156 4.350 -0.060 0.000 0.305 134 T C -0.731 173.923 174.700 -0.077 0.000 1.035 134 T CA 2.354 64.406 62.100 -0.080 0.000 1.145 134 T CB 0.438 69.242 68.868 -0.107 0.000 0.963 134 T HN -0.380 7.614 8.240 -0.096 0.188 0.545 135 Q N 4.331 124.101 119.800 -0.050 0.000 2.243 135 Q HA 0.127 4.560 4.340 -0.042 -0.118 0.252 135 Q C -0.905 175.075 176.000 -0.033 0.000 0.909 135 Q CA 0.099 55.883 55.803 -0.032 0.000 0.922 135 Q CB 1.458 30.195 28.738 -0.001 0.000 1.215 135 Q HN 0.240 8.485 8.270 -0.041 0.000 0.427 136 c N 0.752 119.334 118.600 -0.029 0.000 3.044 136 c HA 0.623 5.289 4.570 -0.019 -0.107 0.315 136 c C -1.709 172.387 174.090 0.009 0.000 1.320 136 c CA -1.303 55.011 56.329 -0.025 0.000 1.582 136 c CB 4.357 46.832 42.510 -0.058 0.000 2.039 136 c HN 0.714 8.819 8.230 -0.029 0.108 0.466 137 L N 0.647 121.883 121.223 0.022 0.000 2.333 137 L HA 0.858 5.404 4.340 0.054 -0.174 0.280 137 L C -2.332 174.556 176.870 0.031 0.000 1.004 137 L CA -1.413 53.455 54.840 0.048 0.000 0.820 137 L CB 3.534 45.645 42.059 0.086 0.000 1.247 137 L HN 0.707 8.837 8.230 0.015 0.110 0.416 138 I N 6.857 127.431 120.570 0.006 0.000 2.509 138 I HA 0.863 5.278 4.170 0.028 -0.229 0.293 138 I C -1.462 174.628 176.117 -0.044 0.000 1.020 138 I CA -1.575 59.726 61.300 0.003 0.000 1.088 138 I CB 2.763 40.767 38.000 0.006 0.000 1.267 138 I HN 0.872 9.084 8.210 0.003 0.000 0.430 139 S N 2.449 118.120 115.700 -0.049 0.000 2.588 139 S HA 0.980 5.476 4.470 -0.214 -0.155 0.275 139 S C -1.203 173.292 174.600 -0.175 0.000 1.130 139 S CA -1.751 56.346 58.200 -0.170 0.000 0.855 139 S CB 3.763 66.827 63.200 -0.228 0.000 1.116 139 S HN -0.201 8.115 8.310 0.009 0.000 0.472 140 G N -1.255 107.350 108.800 -0.324 0.000 2.316 140 G HA2 0.159 3.916 3.960 -0.337 0.000 0.296 140 G HA3 0.159 4.235 3.960 -0.035 -0.137 0.296 140 G C -2.373 172.326 174.900 -0.335 0.000 1.399 140 G CA 0.602 45.546 45.100 -0.260 0.000 0.833 140 G HN 0.329 8.366 8.290 -0.421 0.000 0.565 141 W N 0.917 122.184 121.300 -0.055 0.000 3.067 141 W HA 0.380 4.989 4.660 -0.084 0.000 0.417 141 W C -0.184 176.369 176.519 0.056 0.000 1.029 141 W CA -0.988 56.288 57.345 -0.115 0.000 1.992 141 W CB 0.364 29.561 29.460 -0.439 0.000 1.122 141 W HN 0.574 8.954 8.180 0.332 0.000 0.681 142 G N 0.833 109.784 108.800 0.252 0.000 2.616 142 G HA2 -0.036 4.211 3.960 0.476 0.000 0.268 142 G HA3 -0.036 4.227 3.960 0.210 -0.177 0.268 142 G C -0.917 173.947 174.900 -0.060 0.000 1.213 142 G CA -0.787 44.459 45.100 0.243 0.000 0.926 142 G HN -0.313 8.246 8.290 0.162 -0.172 0.523 143 N N -0.355 118.135 118.700 -0.350 0.000 2.294 143 N HA -0.327 3.860 4.740 -1.190 -0.161 0.248 143 N C 0.760 176.103 175.510 -0.279 0.000 1.242 143 N CA 1.346 53.990 53.050 -0.678 0.000 0.848 143 N CB 0.617 38.795 38.487 -0.515 0.000 1.084 143 N HN -0.020 8.285 8.380 -0.124 0.000 0.457 144 T N -0.857 113.550 114.554 -0.245 0.000 3.044 144 T HA 0.179 4.579 4.350 -0.092 -0.106 0.260 144 T C -0.048 174.603 174.700 -0.082 0.000 1.019 144 T CA 0.346 62.375 62.100 -0.118 0.000 0.921 144 T CB 1.524 70.341 68.868 -0.085 0.000 1.053 144 T HN 0.430 8.480 8.240 -0.317 0.000 0.533 145 K N 2.011 122.355 120.400 -0.094 0.000 2.221 145 K HA 0.369 4.669 4.320 -0.034 0.000 0.258 145 K C -0.005 176.577 176.600 -0.031 0.000 0.944 145 K CA -2.090 54.169 56.287 -0.048 0.000 0.823 145 K CB 2.243 34.720 32.500 -0.039 0.000 1.113 145 K HN -0.675 7.767 8.250 -0.146 -0.280 0.431 146 S N 2.829 118.523 115.700 -0.011 0.000 2.348 146 S HA -0.169 4.304 4.470 0.007 0.000 0.219 146 S C 0.215 174.821 174.600 0.010 0.000 1.033 146 S CA 2.071 60.274 58.200 0.004 0.000 0.974 146 S CB 0.240 63.447 63.200 0.011 0.000 0.868 146 S HN 0.287 8.591 8.310 -0.009 0.000 0.459 147 S N 2.017 117.722 115.700 0.008 0.000 2.468 147 S HA 0.132 4.612 4.470 0.018 0.000 0.190 147 S C -0.880 173.726 174.600 0.011 0.000 1.445 147 S CA -0.217 57.990 58.200 0.013 0.000 1.084 147 S CB -0.329 62.878 63.200 0.012 0.000 1.175 147 S HN -0.314 7.999 8.310 0.004 0.000 0.484 148 G N 2.452 111.259 108.800 0.012 0.000 2.359 148 G HA2 -0.124 3.850 3.960 0.023 0.000 0.293 148 G HA3 -0.124 3.842 3.960 0.009 0.000 0.293 148 G C -2.788 172.118 174.900 0.010 0.000 1.300 148 G CA 0.009 45.117 45.100 0.014 0.000 0.888 148 G HN -0.571 7.727 8.290 0.014 0.000 0.541 149 T N 0.022 114.591 114.554 0.024 0.000 2.879 149 T HA 0.228 4.735 4.350 -0.039 -0.180 0.290 149 T C -1.571 173.146 174.700 0.028 0.000 0.993 149 T CA -0.457 61.663 62.100 0.032 0.000 0.975 149 T CB 2.431 71.378 68.868 0.132 0.000 0.981 149 T HN -0.082 8.178 8.240 0.032 0.000 0.439 150 S N 5.463 121.118 115.700 -0.075 0.000 2.652 150 S HA 0.188 4.712 4.470 0.090 0.000 0.273 150 S C -2.341 172.177 174.600 -0.138 0.000 1.172 150 S CA -0.007 58.185 58.200 -0.012 0.000 1.009 150 S CB 1.237 64.425 63.200 -0.021 0.000 1.094 150 S HN 0.593 9.107 8.310 -0.256 -0.358 0.471 151 Y N 5.828 126.160 120.300 0.053 0.000 2.331 151 Y HA 0.249 4.847 4.550 0.080 0.000 0.338 151 Y C -1.073 174.870 175.900 0.070 0.000 0.992 151 Y CA -2.675 55.468 58.100 0.072 0.000 1.121 151 Y CB 1.293 39.801 38.460 0.080 0.000 1.184 151 Y HN 0.115 8.573 8.280 0.297 0.000 0.469 152 P HA 0.398 4.887 4.420 0.115 0.000 0.278 152 P C -1.751 175.678 177.300 0.214 0.000 1.258 152 P CA -0.791 62.398 63.100 0.148 0.000 0.811 152 P CB 2.224 33.975 31.700 0.086 0.000 1.063 153 D N -1.819 118.690 120.400 0.181 0.000 2.423 153 D HA -0.024 4.705 4.640 0.149 0.000 0.212 153 D C -1.556 174.920 176.300 0.294 0.000 1.060 153 D CA 0.752 54.859 54.000 0.178 0.000 0.872 153 D CB 1.050 41.909 40.800 0.098 0.000 1.012 153 D HN 0.405 8.858 8.370 0.138 0.000 0.503 154 V N -6.953 113.117 119.914 0.260 0.000 2.850 154 V HA 0.630 5.229 4.120 0.387 -0.247 0.315 154 V C -0.786 175.338 176.094 0.050 0.000 1.064 154 V CA -2.745 59.700 62.300 0.241 0.000 0.979 154 V CB 2.297 34.183 31.823 0.106 0.000 1.039 154 V HN -1.000 7.297 8.190 0.178 0.000 0.452 155 L N 2.414 123.527 121.223 -0.183 0.000 2.499 155 L HA -0.053 3.495 4.340 -1.320 0.000 0.273 155 L C -0.506 176.111 176.870 -0.423 0.000 1.195 155 L CA 0.837 55.245 54.840 -0.719 0.000 0.882 155 L CB 0.554 42.180 42.059 -0.722 0.000 1.133 155 L HN -0.214 8.200 8.230 0.029 -0.167 0.483 156 K N 5.309 125.435 120.400 -0.458 0.000 2.203 156 K HA 0.691 4.977 4.320 -0.337 -0.169 0.251 156 K C -1.223 175.121 176.600 -0.428 0.000 0.944 156 K CA -2.451 53.621 56.287 -0.358 0.000 0.829 156 K CB 2.612 34.963 32.500 -0.249 0.000 1.125 156 K HN -0.124 7.777 8.250 -0.582 0.000 0.430 157 c N -0.247 117.996 118.600 -0.595 0.000 2.667 157 c HA 1.014 5.521 4.570 -0.404 -0.179 0.323 157 c C -1.674 172.032 174.090 -0.640 0.000 1.214 157 c CA -0.908 55.017 56.329 -0.674 0.000 1.721 157 c CB 3.624 45.574 42.510 -0.933 0.000 2.275 157 c HN 0.774 8.579 8.230 -0.709 0.000 0.491 158 L N 0.583 121.641 121.223 -0.274 0.000 2.526 158 L HA 0.423 4.785 4.340 0.037 0.000 0.263 158 L C -2.652 174.275 176.870 0.095 0.000 0.943 158 L CA 0.376 55.201 54.840 -0.025 0.000 0.859 158 L CB 4.356 46.420 42.059 0.009 0.000 1.313 158 L HN 0.700 8.813 8.230 -0.195 0.000 0.406 159 K N 7.512 128.034 120.400 0.204 0.000 2.185 159 K HA 0.863 5.485 4.320 0.118 -0.231 0.269 159 K C -1.087 175.634 176.600 0.202 0.000 0.987 159 K CA -1.062 55.328 56.287 0.172 0.000 0.865 159 K CB 1.471 34.081 32.500 0.184 0.000 1.090 159 K HN 0.285 8.698 8.250 0.271 0.000 0.450 160 A N 4.948 127.826 122.820 0.096 0.000 2.549 160 A HA 0.579 4.923 4.320 0.041 0.000 0.297 160 A C -3.420 174.095 177.584 -0.116 0.000 1.061 160 A CA -2.517 49.512 52.037 -0.015 0.000 0.690 160 A CB 2.598 21.578 19.000 -0.033 0.000 1.287 160 A HN 0.644 8.822 8.150 0.046 0.000 0.402 161 P HA 0.758 5.327 4.420 -0.105 -0.212 0.285 161 P C -1.064 176.154 177.300 -0.137 0.000 1.269 161 P CA -1.480 61.529 63.100 -0.152 0.000 0.844 161 P CB 1.746 33.360 31.700 -0.143 0.000 1.094 162 I N -0.427 120.081 120.570 -0.103 0.000 2.529 162 I HA -0.047 4.257 4.170 0.032 -0.115 0.284 162 I C 0.264 176.355 176.117 -0.044 0.000 1.082 162 I CA 0.582 61.846 61.300 -0.060 0.000 1.406 162 I CB 0.449 38.342 38.000 -0.178 0.000 1.405 162 I HN 0.064 8.207 8.210 -0.112 0.000 0.548 163 L N 6.629 127.861 121.223 0.015 0.000 2.400 163 L HA 0.251 4.575 4.340 -0.027 0.000 0.264 163 L C -0.182 176.702 176.870 0.022 0.000 1.061 163 L CA -0.957 53.885 54.840 0.004 0.000 0.799 163 L CB 0.941 43.011 42.059 0.019 0.000 1.240 163 L HN 0.300 8.585 8.230 0.092 0.000 0.461 164 S N 0.046 115.754 115.700 0.013 0.000 2.585 164 S HA -0.069 4.406 4.470 0.008 0.000 0.273 164 S C 0.522 175.145 174.600 0.040 0.000 1.339 164 S CA -0.611 57.599 58.200 0.016 0.000 1.028 164 S CB 0.876 64.081 63.200 0.009 0.000 0.906 164 S HN 0.263 8.575 8.310 0.004 0.000 0.528 165 D N 3.115 123.540 120.400 0.042 0.000 2.219 165 D HA -0.208 4.482 4.640 0.082 0.000 0.205 165 D C 1.722 178.053 176.300 0.052 0.000 0.970 165 D CA 3.777 57.814 54.000 0.061 0.000 0.851 165 D CB -0.332 40.503 40.800 0.058 0.000 0.943 165 D HN 0.618 9.006 8.370 0.030 0.000 0.488 166 S N -0.218 115.503 115.700 0.036 0.000 2.383 166 S HA -0.277 4.214 4.470 0.036 0.000 0.227 166 S C 1.684 176.301 174.600 0.028 0.000 1.026 166 S CA 3.402 61.621 58.200 0.031 0.000 0.981 166 S CB -0.473 62.739 63.200 0.020 0.000 0.818 166 S HN 0.142 8.459 8.310 0.028 0.011 0.472 167 S N 2.618 118.332 115.700 0.024 0.000 2.406 167 S HA -0.011 4.462 4.470 0.005 0.000 0.228 167 S C 1.905 176.519 174.600 0.024 0.000 1.020 167 S CA 2.453 60.661 58.200 0.014 0.000 0.965 167 S CB -0.167 63.038 63.200 0.008 0.000 0.798 167 S HN -0.429 7.895 8.310 0.024 0.000 0.488 168 c N 4.035 122.668 118.600 0.054 0.000 2.462 168 c HA -0.257 4.373 4.570 0.101 0.000 0.278 168 c C 1.915 176.080 174.090 0.125 0.000 1.253 168 c CA 3.058 59.446 56.329 0.098 0.000 1.713 168 c CB -1.831 40.744 42.510 0.109 0.000 2.049 168 c HN -0.144 8.026 8.230 0.054 0.092 0.477 169 K N -0.966 119.495 120.400 0.101 0.000 2.148 169 K HA -0.313 4.101 4.320 0.157 0.000 0.204 169 K C 2.245 178.889 176.600 0.074 0.000 1.050 169 K CA 3.050 59.402 56.287 0.108 0.000 0.942 169 K CB -0.046 32.503 32.500 0.082 0.000 0.724 169 K HN 0.258 8.450 8.250 0.082 0.108 0.446 170 S N -0.917 114.803 115.700 0.033 0.000 2.428 170 S HA -0.226 4.252 4.470 0.014 0.000 0.230 170 S C 0.881 175.454 174.600 -0.046 0.000 1.014 170 S CA 2.900 61.101 58.200 0.002 0.000 0.957 170 S CB -0.094 63.102 63.200 -0.007 0.000 0.784 170 S HN -0.158 8.156 8.310 0.033 0.016 0.499 171 A N -0.589 122.172 122.820 -0.098 0.000 1.968 171 A HA -0.049 4.110 4.320 -0.269 0.000 0.217 171 A C -0.855 176.458 177.584 -0.451 0.000 1.169 171 A CA 1.755 53.597 52.037 -0.325 0.000 0.638 171 A CB 0.868 19.596 19.000 -0.453 0.000 0.812 171 A HN -0.698 7.308 8.150 -0.046 0.117 0.446 172 Y N -5.201 115.135 120.300 0.059 0.000 2.658 172 Y HA 0.494 5.115 4.550 0.118 0.000 0.362 172 Y C -2.597 173.363 175.900 0.100 0.000 1.017 172 Y CA -3.193 54.975 58.100 0.114 0.000 1.134 172 Y CB 0.235 38.813 38.460 0.196 0.000 1.144 172 Y HN -0.587 7.651 8.280 0.079 0.089 0.655 173 P HA -0.008 4.572 4.420 0.103 -0.098 0.267 173 P C 0.701 178.067 177.300 0.110 0.000 1.209 173 P CA 0.792 63.958 63.100 0.109 0.000 0.763 173 P CB 0.137 31.875 31.700 0.063 0.000 0.816 174 G N 4.161 113.018 108.800 0.094 0.000 2.155 174 G HA2 -0.368 3.627 3.960 0.059 0.000 0.257 174 G HA3 -0.368 3.623 3.960 0.052 0.000 0.257 174 G C 0.049 174.996 174.900 0.077 0.000 0.983 174 G CA 0.755 45.897 45.100 0.070 0.000 0.676 174 G HN 0.551 8.896 8.290 0.092 0.000 0.528 175 Q N -2.361 117.520 119.800 0.135 0.000 2.245 175 Q HA 0.097 4.467 4.340 0.051 0.000 0.236 175 Q C -0.531 175.592 176.000 0.206 0.000 0.842 175 Q CA -0.285 55.603 55.803 0.141 0.000 0.945 175 Q CB 1.666 30.532 28.738 0.213 0.000 1.122 175 Q HN -0.412 7.904 8.270 0.173 0.058 0.506 176 I N -0.015 120.673 120.570 0.197 0.000 2.336 176 I HA 0.083 4.391 4.170 0.230 0.000 0.292 176 I C -0.048 176.142 176.117 0.121 0.000 0.991 176 I CA -2.269 59.139 61.300 0.181 0.000 1.227 176 I CB -0.534 37.564 38.000 0.163 0.000 1.366 176 I HN -0.525 7.790 8.210 0.175 0.000 0.466 177 T N 2.667 117.290 114.554 0.114 0.000 2.922 177 T HA 0.392 4.781 4.350 0.065 0.000 0.281 177 T C 1.059 175.808 174.700 0.082 0.000 1.005 177 T CA -2.152 59.996 62.100 0.079 0.000 0.982 177 T CB 2.650 71.556 68.868 0.064 0.000 1.158 177 T HN -0.355 7.969 8.240 0.139 0.000 0.566 178 S N -1.550 114.186 115.700 0.059 0.000 2.507 178 S HA -0.257 4.252 4.470 0.064 0.000 0.235 178 S C 0.182 174.823 174.600 0.069 0.000 0.988 178 S CA 2.437 60.670 58.200 0.054 0.000 0.944 178 S CB -0.344 62.869 63.200 0.022 0.000 0.762 178 S HN 0.296 8.633 8.310 0.044 0.000 0.526 179 N N 0.582 119.333 118.700 0.085 0.000 2.276 179 N HA 0.186 4.991 4.740 0.108 0.000 0.212 179 N C -1.699 173.925 175.510 0.190 0.000 1.127 179 N CA -0.337 52.794 53.050 0.135 0.000 0.834 179 N CB 0.821 39.406 38.487 0.163 0.000 1.014 179 N HN -0.610 7.752 8.380 0.080 0.066 0.491 180 M N -1.325 118.372 119.600 0.162 0.000 2.550 180 M HA 0.746 5.471 4.480 0.076 -0.200 0.292 180 M C -2.261 174.141 176.300 0.170 0.000 1.221 180 M CA -0.294 55.074 55.300 0.112 0.000 0.873 180 M CB 5.051 37.695 32.600 0.073 0.000 1.727 180 M HN -0.761 7.527 8.290 0.145 0.089 0.459 181 F N -5.127 114.864 119.950 0.069 0.000 2.645 181 F HA 0.636 5.188 4.527 0.043 0.000 0.310 181 F C -2.571 173.281 175.800 0.087 0.000 1.102 181 F CA -2.251 55.786 58.000 0.061 0.000 0.952 181 F CB 2.355 41.387 39.000 0.053 0.000 1.326 181 F HN 0.211 8.341 8.300 -0.283 0.000 0.456 182 c N -0.276 118.482 118.600 0.263 0.000 2.435 182 c HA 1.030 5.856 4.570 0.099 -0.196 0.333 182 c C -1.108 173.167 174.090 0.309 0.000 1.202 182 c CA -1.111 55.327 56.329 0.181 0.000 1.830 182 c CB 3.094 45.670 42.510 0.109 0.000 2.326 182 c HN 0.821 9.255 8.230 0.341 0.000 0.507 183 A N 2.668 125.647 122.820 0.265 0.000 2.476 183 A HA 0.689 5.187 4.320 0.055 -0.145 0.280 183 A C -2.378 175.239 177.584 0.056 0.000 1.081 183 A CA -0.497 51.599 52.037 0.100 0.000 0.753 183 A CB 2.763 21.720 19.000 -0.072 0.000 1.248 183 A HN 0.408 8.766 8.150 0.348 0.000 0.424 184 Y N 2.462 122.793 120.300 0.051 0.000 2.350 184 Y HA -0.020 4.548 4.550 0.031 0.000 0.340 184 Y C 1.104 177.020 175.900 0.026 0.000 1.006 184 Y CA -1.210 56.910 58.100 0.034 0.000 1.166 184 Y CB 0.810 39.288 38.460 0.029 0.000 1.168 184 Y HN 0.197 8.601 8.280 0.206 0.000 0.502 185 L N 4.155 125.452 121.223 0.123 0.000 2.275 185 L HA -0.322 4.047 4.340 0.049 0.000 0.215 185 L C 1.260 178.174 176.870 0.074 0.000 1.119 185 L CA 2.245 57.125 54.840 0.068 0.000 0.790 185 L CB -0.481 41.598 42.059 0.034 0.000 0.919 185 L HN 0.519 8.808 8.230 0.099 0.000 0.443 186 E N -1.950 118.313 120.200 0.106 0.000 2.418 186 E HA -0.158 4.219 4.350 0.045 0.000 0.197 186 E C 0.472 177.105 176.600 0.056 0.000 1.026 186 E CA 0.086 56.526 56.400 0.067 0.000 0.862 186 E CB -0.382 29.353 29.700 0.059 0.000 0.799 186 E HN 0.078 8.494 8.360 0.158 0.038 0.518 187 G N 0.532 109.383 108.800 0.085 0.000 3.391 187 G HA2 -0.369 3.746 3.960 0.081 0.000 0.683 187 G HA3 -0.369 3.617 3.960 0.043 0.000 0.683 187 G C -0.635 174.294 174.900 0.047 0.000 1.071 187 G CA -0.439 44.701 45.100 0.066 0.000 0.904 187 G HN -0.542 7.651 8.290 0.129 0.174 0.452 188 K N 2.229 122.648 120.400 0.033 0.000 5.292 188 K HA -0.590 4.005 4.320 0.039 -0.252 0.616 188 K C -1.106 175.600 176.600 0.176 0.000 2.155 188 K CA 1.033 57.365 56.287 0.075 0.000 1.564 188 K CB 0.063 32.566 32.500 0.004 0.000 1.855 188 K HN 0.206 8.498 8.250 0.070 0.000 0.268 189 D N 0.650 121.127 120.400 0.129 0.000 2.725 189 D HA 0.278 5.031 4.640 0.188 0.000 0.292 189 D C -1.813 174.551 176.300 0.108 0.000 1.288 189 D CA -0.775 53.309 54.000 0.140 0.000 0.784 189 D CB 3.820 44.685 40.800 0.108 0.000 1.308 189 D HN 0.098 8.520 8.370 0.087 0.000 0.429 190 S N -1.498 114.279 115.700 0.129 0.000 2.713 190 S HA 0.329 4.917 4.470 0.083 -0.069 0.277 190 S C -1.392 173.247 174.600 0.065 0.000 1.168 190 S CA -0.454 57.811 58.200 0.109 0.000 0.994 190 S CB 1.776 65.083 63.200 0.177 0.000 1.054 190 S HN 0.226 8.632 8.310 0.159 0.000 0.555 191 c N -1.895 116.745 118.600 0.067 0.000 3.284 191 c HA 0.180 4.784 4.570 0.057 0.000 0.348 191 c C -1.581 172.578 174.090 0.114 0.000 1.448 191 c CA -0.401 55.967 56.329 0.065 0.000 1.223 191 c CB 2.991 45.518 42.510 0.028 0.000 1.588 191 c HN 0.258 8.765 8.230 0.085 -0.226 0.451 192 Q N 2.034 121.914 119.800 0.135 0.000 2.283 192 Q HA -0.367 4.102 4.340 0.215 0.000 0.301 192 Q C 0.912 177.083 176.000 0.284 0.000 1.063 192 Q CA 2.112 58.041 55.803 0.210 0.000 0.952 192 Q CB 0.505 29.374 28.738 0.219 0.000 1.166 192 Q HN 0.488 8.821 8.270 0.105 0.000 0.381 193 G N 6.514 115.500 108.800 0.310 0.000 2.284 193 G HA2 -0.413 3.767 3.960 0.367 0.000 0.216 193 G HA3 -0.413 3.873 3.960 0.543 0.000 0.216 193 G C 0.708 175.842 174.900 0.390 0.000 1.009 193 G CA 0.877 46.225 45.100 0.413 0.000 0.625 193 G HN 0.355 8.809 8.290 0.273 0.000 0.501 194 D N 2.803 123.363 120.400 0.266 0.000 2.305 194 D HA 0.051 4.833 4.640 0.236 0.000 0.206 194 D C 0.107 176.514 176.300 0.178 0.000 0.974 194 D CA 1.123 55.247 54.000 0.207 0.000 0.871 194 D CB 0.430 41.316 40.800 0.142 0.000 0.947 194 D HN 0.151 8.555 8.370 0.234 0.106 0.516 195 S N -0.267 115.539 115.700 0.178 0.000 2.715 195 S HA -0.402 4.320 4.470 0.196 -0.134 0.318 195 S C 1.167 175.796 174.600 0.048 0.000 1.242 195 S CA 1.996 60.285 58.200 0.148 0.000 1.044 195 S CB -0.938 62.359 63.200 0.162 0.000 0.760 195 S HN -0.519 7.865 8.310 0.205 0.049 0.501 196 G N 5.159 113.984 108.800 0.043 0.000 2.253 196 G HA2 -0.462 3.573 3.960 0.013 0.000 0.251 196 G HA3 -0.462 3.595 3.960 -0.032 -0.116 0.251 196 G C 0.025 174.974 174.900 0.082 0.000 0.998 196 G CA 0.396 45.507 45.100 0.019 0.000 0.621 196 G HN 0.778 9.021 8.290 0.099 0.106 0.524 197 G N 1.084 109.955 108.800 0.117 0.000 2.651 197 G HA2 0.281 4.395 3.960 0.143 0.000 0.260 197 G HA3 0.281 4.376 3.960 0.139 -0.052 0.260 197 G C -2.568 172.425 174.900 0.155 0.000 1.216 197 G CA -1.921 43.263 45.100 0.141 0.000 0.913 197 G HN -0.153 8.113 8.290 0.122 0.098 0.535 198 P HA 0.236 4.743 4.420 0.144 0.000 0.281 198 P C -1.596 175.780 177.300 0.127 0.000 1.249 198 P CA -0.665 62.536 63.100 0.168 0.000 0.810 198 P CB 1.490 33.354 31.700 0.273 0.000 1.008 199 V N 2.391 122.358 119.914 0.088 0.000 2.398 199 V HA 0.351 4.656 4.120 0.001 -0.184 0.282 199 V C -1.310 174.799 176.094 0.024 0.000 1.014 199 V CA -0.436 61.878 62.300 0.024 0.000 0.838 199 V CB 1.833 33.648 31.823 -0.012 0.000 1.018 199 V HN -0.285 7.959 8.190 0.091 0.000 0.432 200 V N 8.046 127.964 119.914 0.008 0.000 2.398 200 V HA 0.659 4.933 4.120 -0.064 -0.192 0.286 200 V C -1.343 174.732 176.094 -0.031 0.000 1.026 200 V CA -1.247 61.028 62.300 -0.042 0.000 0.868 200 V CB 2.693 34.464 31.823 -0.087 0.000 0.982 200 V HN 0.868 9.078 8.190 0.033 0.000 0.443 201 c N 6.676 125.244 118.600 -0.053 0.000 2.431 201 c HA 0.594 5.140 4.570 -0.040 0.000 0.321 201 c C 0.560 174.619 174.090 -0.053 0.000 1.202 201 c CA -1.635 54.660 56.329 -0.056 0.000 1.398 201 c CB 1.792 44.246 42.510 -0.093 0.000 2.047 201 c HN 0.783 8.975 8.230 -0.062 0.000 0.465 202 S N 4.218 119.895 115.700 -0.038 0.000 3.614 202 S HA -0.459 3.998 4.470 -0.021 0.000 0.360 202 S C 0.167 174.747 174.600 -0.033 0.000 1.023 202 S CA 1.111 59.292 58.200 -0.032 0.000 1.114 202 S CB -1.171 62.007 63.200 -0.038 0.000 0.907 202 S HN 1.172 9.465 8.310 -0.029 0.000 0.470 203 G N -5.073 103.706 108.800 -0.034 0.000 2.162 203 G HA2 -0.456 3.479 3.960 -0.043 0.000 0.260 203 G HA3 -0.456 3.486 3.960 -0.030 0.000 0.260 203 G C -0.770 174.085 174.900 -0.076 0.000 0.976 203 G CA 0.433 45.506 45.100 -0.045 0.000 0.655 203 G HN 0.389 8.642 8.290 -0.028 0.020 0.533 210 Q N 1.272 121.095 119.800 0.038 0.000 2.392 210 Q HA 0.200 4.581 4.340 0.068 0.000 0.219 210 Q C -0.200 175.971 176.000 0.285 0.000 0.895 210 Q CA 0.154 56.005 55.803 0.079 0.000 0.929 210 Q CB 2.668 31.372 28.738 -0.056 0.000 1.077 210 Q HN 0.363 8.645 8.270 0.021 0.000 0.532 211 G N -3.212 105.767 108.800 0.297 0.000 2.708 211 G HA2 0.589 5.025 3.960 0.396 0.000 0.289 211 G HA3 0.589 4.816 3.960 0.445 0.000 0.289 211 G C -3.284 171.744 174.900 0.215 0.000 1.416 211 G CA -0.556 44.758 45.100 0.358 0.000 0.829 211 G HN -0.363 8.037 8.290 0.185 0.000 0.480 212 I N -1.540 119.151 120.570 0.201 0.000 2.498 212 I HA 0.547 5.038 4.170 0.177 -0.214 0.290 212 I C -0.464 175.785 176.117 0.219 0.000 1.032 212 I CA -1.445 59.961 61.300 0.176 0.000 1.073 212 I CB 4.369 42.434 38.000 0.109 0.000 1.251 212 I HN -0.422 7.973 8.210 0.176 -0.079 0.426 213 V N 7.370 127.425 119.914 0.235 0.000 2.458 213 V HA -0.226 3.913 4.120 0.032 0.000 0.287 213 V C -1.036 175.098 176.094 0.067 0.000 1.009 213 V CA 2.024 64.405 62.300 0.136 0.000 1.091 213 V CB -0.976 30.954 31.823 0.178 0.000 0.960 213 V HN 0.252 8.570 8.190 0.213 0.000 0.476 214 S N 7.816 123.446 115.700 -0.116 0.000 3.142 214 S HA 0.364 5.148 4.470 0.380 -0.086 0.223 214 S C -0.675 173.955 174.600 0.050 0.000 0.939 214 S CA 0.841 59.097 58.200 0.092 0.000 0.826 214 S CB 1.957 65.198 63.200 0.067 0.000 0.823 214 S HN -0.076 7.949 8.310 -0.476 0.000 0.612 215 W N -3.537 117.565 121.300 -0.329 0.000 2.940 215 W HA 0.305 4.816 4.660 -0.248 0.000 0.394 215 W C -3.189 173.140 176.519 -0.316 0.000 1.155 215 W CA -0.355 56.807 57.345 -0.305 0.000 1.165 215 W CB 0.577 29.850 29.460 -0.311 0.000 1.492 215 W HN 0.038 7.880 8.180 -0.564 0.000 0.593 216 G N -2.939 105.886 108.800 0.040 0.000 2.340 216 G HA2 0.166 3.848 3.960 -0.464 0.000 0.299 216 G HA3 0.166 4.063 3.960 -0.105 0.000 0.299 216 G C -2.230 172.800 174.900 0.216 0.000 1.291 216 G CA 0.062 45.106 45.100 -0.094 0.000 0.841 216 G HN -0.022 8.480 8.290 0.354 0.000 0.500 220 c N 1.662 120.296 118.600 0.058 0.000 3.465 220 c HA 0.299 5.072 4.570 0.055 -0.171 0.193 220 c C -1.216 172.902 174.090 0.048 0.000 1.515 220 c CA -1.290 55.069 56.329 0.050 0.000 1.340 220 c CB -1.589 40.943 42.510 0.036 0.000 1.928 220 c HN 0.339 8.600 8.230 0.052 0.000 0.510 221 Q N -1.533 118.298 119.800 0.051 0.000 2.920 221 Q HA 0.070 4.429 4.340 0.032 0.000 0.255 221 Q C -1.570 174.450 176.000 0.034 0.000 0.976 221 Q CA -0.356 55.469 55.803 0.038 0.000 0.862 221 Q CB 2.939 31.700 28.738 0.038 0.000 1.952 221 Q HN -0.082 8.223 8.270 0.059 0.000 0.489 222 K N 4.000 124.414 120.400 0.023 0.000 2.401 222 K HA -0.321 4.221 4.320 0.032 -0.202 0.278 222 K C -0.276 176.321 176.600 -0.005 0.000 1.018 222 K CA 0.999 57.296 56.287 0.018 0.000 0.981 222 K CB 0.047 32.554 32.500 0.013 0.000 0.933 222 K HN 0.302 8.564 8.250 0.020 0.000 0.477 223 N N 2.549 121.244 118.700 -0.010 0.000 2.753 223 N HA -0.452 4.265 4.740 -0.039 0.000 0.251 223 N C -1.602 173.837 175.510 -0.119 0.000 1.097 223 N CA 1.910 54.928 53.050 -0.053 0.000 0.786 223 N CB -0.776 37.674 38.487 -0.061 0.000 1.137 223 N HN 0.847 9.104 8.380 0.013 0.131 0.566 224 K N -1.195 119.161 120.400 -0.073 0.000 2.762 224 K HA 0.530 4.653 4.320 -0.329 0.000 0.180 224 K C -2.427 174.208 176.600 0.058 0.000 1.067 224 K CA -3.734 52.501 56.287 -0.087 0.000 0.973 224 K CB 0.278 32.784 32.500 0.009 0.000 1.290 224 K HN -0.730 7.450 8.250 -0.016 0.060 0.604 225 P HA -0.051 4.425 4.420 0.093 0.000 0.273 225 P C -0.562 176.780 177.300 0.070 0.000 1.250 225 P CA -0.422 62.734 63.100 0.093 0.000 0.793 225 P CB 1.122 32.866 31.700 0.074 0.000 1.011 226 G N -2.217 106.604 108.800 0.035 0.000 2.503 226 G HA2 0.274 4.054 3.960 -0.301 0.000 0.257 226 G HA3 0.274 4.207 3.960 -0.169 -0.074 0.257 226 G C -1.731 172.890 174.900 -0.466 0.000 1.214 226 G CA -0.564 44.402 45.100 -0.224 0.000 0.839 226 G HN -0.370 7.994 8.290 0.123 0.000 0.559 227 V N 2.031 121.336 119.914 -1.016 0.000 2.495 227 V HA 0.638 4.539 4.120 -0.654 -0.174 0.298 227 V C -0.973 174.366 176.094 -1.258 0.000 1.031 227 V CA -0.985 60.660 62.300 -1.092 0.000 0.871 227 V CB 2.034 32.752 31.823 -1.842 0.000 0.988 227 V HN 0.546 8.098 8.190 -1.063 0.000 0.432 228 Y N 5.301 125.190 120.300 -0.684 0.000 2.485 228 Y HA 0.600 5.065 4.550 -0.375 -0.141 0.345 228 Y C 0.280 175.879 175.900 -0.501 0.000 0.998 228 Y CA -2.329 55.383 58.100 -0.647 0.000 1.059 228 Y CB 3.739 41.572 38.460 -1.045 0.000 1.234 228 Y HN 1.102 9.020 8.280 -0.604 0.000 0.461 229 T N 4.639 119.151 114.554 -0.070 0.000 2.901 229 T HA 0.016 4.568 4.350 0.091 -0.147 0.301 229 T C -0.730 174.095 174.700 0.209 0.000 1.012 229 T CA 1.579 63.723 62.100 0.073 0.000 1.135 229 T CB 0.554 69.455 68.868 0.055 0.000 0.936 229 T HN 0.383 8.616 8.240 -0.012 0.000 0.539 230 K N 7.929 128.541 120.400 0.353 0.000 2.183 230 K HA 0.171 4.921 4.320 0.716 0.000 0.272 230 K C 1.068 177.933 176.600 0.442 0.000 1.113 230 K CA -0.804 55.778 56.287 0.492 0.000 0.949 230 K CB -0.274 32.477 32.500 0.419 0.000 1.365 230 K HN 0.000 8.351 8.250 0.327 0.096 0.420 231 V N 6.085 126.239 119.914 0.400 0.000 2.453 231 V HA -0.547 3.884 4.120 0.519 0.000 0.252 231 V C 1.376 177.648 176.094 0.296 0.000 1.068 231 V CA 3.912 66.438 62.300 0.376 0.000 1.070 231 V CB -0.311 31.657 31.823 0.241 0.000 0.664 231 V HN 0.234 8.666 8.190 0.404 0.000 0.461 232 c N -3.622 115.084 118.600 0.177 0.000 2.409 232 c HA -0.227 4.393 4.570 0.084 0.000 0.284 232 c C 1.660 175.776 174.090 0.044 0.000 1.354 232 c CA 1.661 58.042 56.329 0.086 0.000 1.787 232 c CB -2.099 40.430 42.510 0.032 0.000 1.900 232 c HN 0.474 8.789 8.230 0.177 0.021 0.520 233 N N 0.838 119.533 118.700 -0.008 0.000 2.463 233 N HA -0.075 4.575 4.740 -0.150 0.000 0.181 233 N C 0.285 175.564 175.510 -0.386 0.000 1.078 233 N CA 1.126 54.028 53.050 -0.247 0.000 0.902 233 N CB -0.055 38.149 38.487 -0.472 0.000 0.970 233 N HN -0.412 7.969 8.380 0.078 0.045 0.451 234 Y N -4.581 115.800 120.300 0.135 0.000 2.557 234 Y HA 0.171 4.882 4.550 0.268 0.000 0.247 234 Y C 0.019 176.064 175.900 0.243 0.000 1.164 234 Y CA -0.719 57.526 58.100 0.240 0.000 1.218 234 Y CB -0.115 38.522 38.460 0.295 0.000 1.210 234 Y HN -0.032 8.181 8.280 0.207 0.191 0.529 235 V N 1.013 121.069 119.914 0.237 0.000 2.332 235 V HA -0.570 3.640 4.120 0.151 0.000 0.248 235 V C 1.320 177.479 176.094 0.109 0.000 1.055 235 V CA 5.020 67.408 62.300 0.147 0.000 1.038 235 V CB -0.523 31.348 31.823 0.081 0.000 0.651 235 V HN -0.757 7.535 8.190 0.169 0.000 0.450 236 S N -0.160 115.609 115.700 0.115 0.000 2.383 236 S HA -0.299 4.189 4.470 0.029 0.000 0.227 236 S C 1.581 176.246 174.600 0.109 0.000 1.026 236 S CA 3.618 61.865 58.200 0.079 0.000 0.981 236 S CB -0.494 62.750 63.200 0.074 0.000 0.818 236 S HN 0.066 8.446 8.310 0.117 0.000 0.472 237 W N 3.680 125.019 121.300 0.065 0.000 2.358 237 W HA -0.212 4.470 4.660 0.037 0.000 0.303 237 W C 1.183 177.717 176.519 0.025 0.000 1.208 237 W CA 3.288 60.679 57.345 0.077 0.000 1.274 237 W CB 0.008 29.599 29.460 0.217 0.000 1.138 237 W HN -0.439 7.965 8.180 0.373 0.000 0.515 238 I N -0.655 119.852 120.570 -0.105 0.000 2.142 238 I HA -0.755 2.899 4.170 -0.859 0.000 0.240 238 I C 1.883 177.745 176.117 -0.425 0.000 1.078 238 I CA 4.534 65.585 61.300 -0.415 0.000 1.343 238 I CB -0.199 37.741 38.000 -0.101 0.000 1.046 238 I HN 0.407 8.767 8.210 0.249 0.000 0.405 239 K N -1.808 118.452 120.400 -0.233 0.000 2.103 239 K HA -0.475 3.692 4.320 -0.255 0.000 0.207 239 K C 2.577 179.025 176.600 -0.254 0.000 1.048 239 K CA 3.784 59.938 56.287 -0.221 0.000 0.930 239 K CB -0.409 32.022 32.500 -0.114 0.000 0.716 239 K HN 0.085 8.262 8.250 -0.122 0.000 0.444 240 Q N -1.354 118.305 119.800 -0.234 0.000 2.083 240 Q HA -0.267 3.982 4.340 -0.152 0.000 0.198 240 Q C 2.375 178.197 176.000 -0.296 0.000 0.969 240 Q CA 3.363 59.045 55.803 -0.202 0.000 0.838 240 Q CB -0.077 28.592 28.738 -0.116 0.000 0.900 240 Q HN -0.151 7.984 8.270 -0.204 0.012 0.436 241 T N 1.939 116.198 114.554 -0.490 0.000 2.737 241 T HA -0.301 3.828 4.350 -0.368 0.000 0.265 241 T C 2.177 176.516 174.700 -0.602 0.000 1.038 241 T CA 4.898 66.660 62.100 -0.563 0.000 1.144 241 T CB -0.125 68.175 68.868 -0.946 0.000 0.866 241 T HN -0.146 7.742 8.240 -0.587 0.000 0.434 242 I N -3.316 116.763 120.570 -0.817 0.000 2.493 242 I HA -0.129 3.103 4.170 -1.565 0.000 0.254 242 I C 1.306 177.171 176.117 -0.419 0.000 1.160 242 I CA 2.781 63.429 61.300 -1.086 0.000 1.445 242 I CB -0.492 36.659 38.000 -1.415 0.000 1.086 242 I HN -0.003 7.744 8.210 -0.771 0.000 0.433 243 A N 0.606 123.253 122.820 -0.289 0.000 2.066 243 A HA -0.115 4.157 4.320 -0.079 0.000 0.218 243 A C 1.220 178.766 177.584 -0.065 0.000 1.157 243 A CA 2.312 54.274 52.037 -0.124 0.000 0.670 243 A CB -0.358 18.576 19.000 -0.109 0.000 0.804 243 A HN -0.265 7.661 8.150 -0.340 0.020 0.453 244 S N -3.544 112.102 115.700 -0.089 0.000 2.572 244 S HA 0.138 4.602 4.470 -0.010 0.000 0.228 244 S C -0.805 173.810 174.600 0.026 0.000 0.963 244 S CA 0.241 58.424 58.200 -0.030 0.000 0.939 244 S CB 0.606 63.779 63.200 -0.046 0.000 0.804 244 S HN -0.474 7.609 8.310 -0.163 0.129 0.480 245 N N 0.000 118.751 118.700 0.086 0.000 1.763 245 N HA 0.000 4.831 4.740 0.152 0.000 0.220 245 N CA 0.000 53.187 53.050 0.228 0.000 0.885 245 N CB 0.000 38.691 38.487 0.340 0.000 1.341 245 N HN 0.000 8.244 8.380 0.054 0.169 0.667