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 1o2n_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 4.184 4.170 0.024 0.000 0.288 16 I C 0.000 176.110 176.117 -0.011 0.000 1.063 16 I CA 0.000 61.297 61.300 -0.005 0.000 1.566 16 I CB 0.000 37.960 38.000 -0.066 0.000 1.214 17 V N 5.625 125.543 119.914 0.007 0.000 2.483 17 V HA 0.262 4.520 4.120 -0.012 -0.145 0.295 17 V C 0.738 176.833 176.094 0.002 0.000 1.035 17 V CA -1.631 60.670 62.300 0.001 0.000 0.896 17 V CB 1.247 33.077 31.823 0.011 0.000 0.986 17 V HN 0.827 9.033 8.190 0.027 0.000 0.447 18 G N 6.758 115.554 108.800 -0.007 0.000 2.198 18 G HA2 -0.409 3.544 3.960 -0.011 0.000 0.260 18 G HA3 -0.409 3.697 3.960 -0.029 -0.164 0.260 18 G C -0.780 174.124 174.900 0.007 0.000 1.025 18 G CA 0.652 45.744 45.100 -0.012 0.000 0.769 18 G HN 0.816 9.100 8.290 -0.009 0.000 0.507 19 G N -1.412 107.391 108.800 0.006 0.000 2.828 19 G HA2 0.566 4.578 3.960 0.087 0.000 0.244 19 G HA3 0.566 4.568 3.960 -0.090 -0.096 0.244 19 G C -1.844 173.097 174.900 0.069 0.000 1.365 19 G CA -1.123 43.982 45.100 0.008 0.000 1.041 19 G HN -0.672 7.583 8.290 -0.011 0.028 0.560 20 Y N -6.122 114.158 120.300 -0.034 0.000 2.638 20 Y HA 0.413 4.945 4.550 -0.030 0.000 0.339 20 Y C -1.791 174.082 175.900 -0.046 0.000 1.084 20 Y CA -2.899 55.180 58.100 -0.035 0.000 1.068 20 Y CB 1.141 39.584 38.460 -0.029 0.000 1.294 20 Y HN 0.391 8.214 8.280 -0.587 0.105 0.480 21 T N 2.299 116.913 114.554 0.101 0.000 2.834 21 T HA 0.084 4.512 4.350 -0.092 -0.133 0.298 21 T C 0.211 174.937 174.700 0.043 0.000 0.966 21 T CA 0.946 63.050 62.100 0.006 0.000 1.141 21 T CB -0.092 68.803 68.868 0.044 0.000 0.905 21 T HN 0.002 8.350 8.240 0.179 0.000 0.535 22 c N 5.685 124.220 118.600 -0.109 0.000 2.429 22 c HA -0.071 4.507 4.570 0.013 0.000 0.277 22 c C 0.527 174.635 174.090 0.030 0.000 1.262 22 c CA 1.208 57.503 56.329 -0.058 0.000 1.733 22 c CB 0.109 42.513 42.510 -0.178 0.000 2.010 22 c HN 0.309 8.424 8.230 -0.193 0.000 0.483 23 G N -2.441 106.360 108.800 0.002 0.000 2.885 23 G HA2 -0.224 3.751 3.960 0.025 0.000 0.685 23 G HA3 -0.224 3.753 3.960 0.028 0.000 0.685 23 G C -1.952 172.948 174.900 -0.001 0.000 1.216 23 G CA -0.808 44.302 45.100 0.018 0.000 0.790 23 G HN -0.542 7.731 8.290 -0.028 0.000 0.631 24 A N 2.912 125.740 122.820 0.013 0.000 2.548 24 A HA -0.210 4.337 4.320 0.025 -0.211 0.247 24 A C -0.224 177.365 177.584 0.008 0.000 1.067 24 A CA 0.933 52.981 52.037 0.019 0.000 0.757 24 A CB 0.064 19.082 19.000 0.030 0.000 0.996 24 A HN 0.285 8.447 8.150 0.020 0.000 0.504 25 N N -2.405 116.297 118.700 0.004 0.000 2.714 25 N HA -0.382 4.349 4.740 -0.015 0.000 0.250 25 N C 0.353 175.844 175.510 -0.031 0.000 1.117 25 N CA 1.658 54.702 53.050 -0.010 0.000 0.719 25 N CB -0.979 37.514 38.487 0.009 0.000 1.081 25 N HN 0.555 8.944 8.380 0.015 0.000 0.557 26 T N -3.667 110.860 114.554 -0.045 0.000 3.100 26 T HA 0.014 4.356 4.350 -0.014 0.000 0.253 26 T C -0.035 174.613 174.700 -0.086 0.000 1.118 26 T CA 2.002 64.081 62.100 -0.037 0.000 1.058 26 T CB 0.437 69.298 68.868 -0.012 0.000 0.953 26 T HN -0.448 7.736 8.240 -0.049 0.026 0.515 27 V N 2.351 122.154 119.914 -0.185 0.000 2.320 27 V HA 0.378 4.247 4.120 -0.419 0.000 0.257 27 V C -1.512 174.290 176.094 -0.486 0.000 0.996 27 V CA -3.358 58.680 62.300 -0.437 0.000 0.928 27 V CB 0.534 32.073 31.823 -0.473 0.000 1.169 27 V HN -0.512 7.512 8.190 -0.158 0.071 0.475 28 P HA 0.048 4.527 4.420 -0.072 -0.102 0.230 28 P C -0.023 177.249 177.300 -0.048 0.000 1.158 28 P CA 1.576 64.618 63.100 -0.096 0.000 0.769 28 P CB 0.061 31.773 31.700 0.020 0.000 0.807 29 Y N -6.170 114.155 120.300 0.041 0.000 2.457 29 Y HA 0.516 5.237 4.550 0.056 -0.138 0.263 29 Y C -0.577 175.360 175.900 0.062 0.000 1.164 29 Y CA -3.303 54.827 58.100 0.050 0.000 1.274 29 Y CB -1.133 37.352 38.460 0.042 0.000 1.097 29 Y HN -0.414 7.305 8.280 -0.823 0.067 0.523 30 Q N 2.781 122.451 119.800 -0.217 0.000 2.313 30 Q HA 0.173 4.689 4.340 0.073 -0.132 0.266 30 Q C -0.302 175.777 176.000 0.133 0.000 0.989 30 Q CA 0.145 55.925 55.803 -0.039 0.000 0.890 30 Q CB 1.133 29.744 28.738 -0.212 0.000 1.200 30 Q HN -0.628 7.184 8.270 -0.488 0.165 0.396 31 V N 1.331 121.360 119.914 0.192 0.000 3.074 31 V HA 0.848 5.194 4.120 0.182 -0.117 0.314 31 V C -2.064 174.165 176.094 0.225 0.000 1.117 31 V CA -2.872 59.534 62.300 0.176 0.000 1.014 31 V CB 3.940 35.818 31.823 0.091 0.000 1.057 31 V HN 0.124 8.424 8.190 0.183 0.000 0.438 32 S N 0.343 116.079 115.700 0.060 0.000 2.473 32 S HA 0.448 5.025 4.470 0.178 0.000 0.307 32 S C -1.100 173.367 174.600 -0.222 0.000 1.094 32 S CA -1.970 56.208 58.200 -0.035 0.000 1.070 32 S CB 1.845 64.823 63.200 -0.370 0.000 1.019 32 S HN 0.170 8.477 8.310 -0.005 0.000 0.480 33 L N 6.684 127.639 121.223 -0.447 0.000 2.282 33 L HA 0.539 4.766 4.340 -0.401 -0.127 0.288 33 L C -1.592 174.766 176.870 -0.853 0.000 1.033 33 L CA -0.860 53.581 54.840 -0.665 0.000 0.807 33 L CB 0.845 42.334 42.059 -0.951 0.000 1.209 33 L HN 0.711 8.637 8.230 -0.506 0.000 0.423 38 G N 0.044 108.758 108.800 -0.143 0.000 2.195 38 G HA2 -0.293 3.660 3.960 -0.011 0.000 0.224 38 G HA3 -0.293 3.744 3.960 0.128 0.000 0.224 38 G C -1.441 173.553 174.900 0.157 0.000 0.990 38 G CA 0.369 45.490 45.100 0.035 0.000 0.639 38 G HN 0.303 8.793 8.290 -0.191 -0.315 0.514 39 Y N -6.911 113.362 120.300 -0.045 0.000 2.741 39 Y HA 0.244 4.751 4.550 -0.072 0.000 0.339 39 Y C -2.562 173.326 175.900 -0.021 0.000 1.226 39 Y CA -3.486 54.586 58.100 -0.046 0.000 1.072 39 Y CB 0.760 39.192 38.460 -0.046 0.000 1.331 39 Y HN -1.155 6.900 8.280 -0.388 -0.009 0.453 40 H N 1.714 120.703 119.070 -0.134 0.000 2.620 40 H HA 0.111 4.590 4.556 -0.400 -0.163 0.313 40 H C -0.769 174.503 175.328 -0.094 0.000 1.075 40 H CA -0.391 55.501 56.048 -0.259 0.000 1.397 40 H CB 0.727 30.326 29.762 -0.271 0.000 1.446 40 H HN 0.133 8.493 8.280 0.133 0.000 0.493 41 F N 1.227 120.722 119.950 -0.757 0.000 2.778 41 F HA 0.361 4.766 4.527 -0.204 0.000 0.314 41 F C -1.520 174.006 175.800 -0.457 0.000 1.073 41 F CA -0.342 57.398 58.000 -0.432 0.000 1.218 41 F CB 1.763 40.590 39.000 -0.288 0.000 1.037 41 F HN -0.230 7.324 8.300 -1.244 0.000 0.594 42 c N -1.601 116.324 118.600 -1.125 0.000 3.321 42 c HA 0.423 4.909 4.570 -0.224 -0.050 0.329 42 c C -1.619 172.247 174.090 -0.373 0.000 1.394 42 c CA -0.321 55.692 56.329 -0.528 0.000 1.291 42 c CB 4.037 46.330 42.510 -0.361 0.000 1.606 42 c HN -0.809 6.421 8.230 -1.665 0.000 0.463 43 G N -1.054 107.727 108.800 -0.032 0.000 2.705 43 G HA2 0.820 5.059 3.960 0.216 0.000 0.299 43 G HA3 0.820 4.907 3.960 0.211 0.000 0.299 43 G C -2.501 172.421 174.900 0.038 0.000 1.315 43 G CA -1.659 43.520 45.100 0.132 0.000 1.045 43 G HN 0.713 8.995 8.290 -0.012 0.000 0.517 44 G N -3.980 104.876 108.800 0.094 0.000 2.495 44 G HA2 0.528 4.825 3.960 0.074 0.000 0.294 44 G HA3 0.528 4.519 3.960 0.052 0.000 0.294 44 G C -2.932 172.051 174.900 0.138 0.000 1.397 44 G CA 0.378 45.527 45.100 0.083 0.000 0.790 44 G HN -0.615 7.763 8.290 0.148 0.000 0.486 45 S N -0.717 115.070 115.700 0.146 0.000 2.538 45 S HA 0.812 5.642 4.470 0.266 -0.201 0.288 45 S C -1.398 173.305 174.600 0.171 0.000 1.108 45 S CA -0.860 57.460 58.200 0.200 0.000 0.971 45 S CB 3.888 67.194 63.200 0.177 0.000 1.041 45 S HN 0.426 8.809 8.310 0.122 0.000 0.483 46 L N 5.817 127.157 121.223 0.195 0.000 2.290 46 L HA 0.219 4.763 4.340 0.148 -0.115 0.284 46 L C -0.784 176.170 176.870 0.140 0.000 1.078 46 L CA -0.245 54.691 54.840 0.160 0.000 0.815 46 L CB 1.390 43.542 42.059 0.155 0.000 1.162 46 L HN 0.417 8.803 8.230 0.259 0.000 0.435 47 I N -0.038 120.611 120.570 0.131 0.000 4.139 47 I HA 0.553 4.923 4.170 0.063 -0.162 0.335 47 I C -0.954 175.219 176.117 0.094 0.000 1.327 47 I CA -0.761 60.593 61.300 0.091 0.000 1.112 47 I CB 0.912 38.956 38.000 0.073 0.000 1.058 47 I HN 0.251 8.556 8.210 0.159 0.000 0.396 48 N N -2.296 116.482 118.700 0.130 0.000 3.227 48 N HA 0.157 4.952 4.740 0.091 0.000 0.241 48 N C -0.705 174.883 175.510 0.129 0.000 1.480 48 N CA -0.484 52.640 53.050 0.123 0.000 0.886 48 N CB 0.679 39.250 38.487 0.140 0.000 1.406 48 N HN -0.933 7.538 8.380 0.152 0.000 0.514 49 S N -3.553 112.210 115.700 0.105 0.000 2.507 49 S HA -0.328 4.184 4.470 0.070 0.000 0.235 49 S C 0.751 175.385 174.600 0.057 0.000 0.988 49 S CA 2.683 60.929 58.200 0.076 0.000 0.944 49 S CB -0.174 63.059 63.200 0.055 0.000 0.762 49 S HN 0.392 8.760 8.310 0.097 0.000 0.526 50 Q N -0.572 119.280 119.800 0.087 0.000 2.140 50 Q HA 0.339 4.628 4.340 -0.086 0.000 0.227 50 Q C -2.180 173.711 176.000 -0.181 0.000 0.798 50 Q CA -0.429 55.337 55.803 -0.063 0.000 0.987 50 Q CB 2.727 31.400 28.738 -0.107 0.000 1.161 50 Q HN 0.143 8.819 8.270 0.177 -0.300 0.480 51 W N -2.262 119.045 121.300 0.012 0.000 2.915 51 W HA 0.703 5.566 4.660 0.008 -0.198 0.337 51 W C -1.519 175.013 176.519 0.023 0.000 1.102 51 W CA -1.067 56.285 57.345 0.010 0.000 1.224 51 W CB 3.860 33.317 29.460 -0.005 0.000 1.416 51 W HN -0.320 8.153 8.180 0.277 -0.126 0.503 52 V N 0.994 121.070 119.914 0.270 0.000 2.769 52 V HA 0.784 5.180 4.120 0.172 -0.173 0.312 52 V C -1.475 174.734 176.094 0.192 0.000 1.061 52 V CA -1.721 60.688 62.300 0.181 0.000 0.931 52 V CB 3.705 35.590 31.823 0.104 0.000 1.010 52 V HN 0.786 9.148 8.190 0.287 0.000 0.433 53 V N 5.661 125.665 119.914 0.150 0.000 2.555 53 V HA 0.774 5.162 4.120 0.158 -0.173 0.302 53 V C -1.287 174.867 176.094 0.100 0.000 1.038 53 V CA -1.321 61.060 62.300 0.135 0.000 0.887 53 V CB 2.358 34.254 31.823 0.121 0.000 0.991 53 V HN 0.689 8.962 8.190 0.138 0.000 0.434 54 S N 4.216 119.964 115.700 0.080 0.000 2.880 54 S HA 0.537 5.244 4.470 0.041 -0.213 0.308 54 S C -2.057 172.543 174.600 -0.001 0.000 1.195 54 S CA -2.467 55.754 58.200 0.034 0.000 0.866 54 S CB 2.437 65.644 63.200 0.011 0.000 1.254 54 S HN 0.610 8.978 8.310 0.096 0.000 0.571 55 A N -0.496 122.287 122.820 -0.063 0.000 2.306 55 A HA 0.401 4.827 4.320 -0.078 -0.153 0.314 55 A C 0.867 178.345 177.584 -0.178 0.000 1.164 55 A CA -1.545 50.418 52.037 -0.123 0.000 0.822 55 A CB 1.528 20.402 19.000 -0.209 0.000 1.130 55 A HN 0.170 8.272 8.150 -0.079 0.000 0.496 56 A N 4.996 127.668 122.820 -0.246 0.000 1.940 56 A HA -0.263 3.909 4.320 -0.247 0.000 0.219 56 A C 1.394 178.761 177.584 -0.362 0.000 1.176 56 A CA 3.014 54.781 52.037 -0.451 0.000 0.631 56 A CB -0.399 17.919 19.000 -1.137 0.000 0.814 56 A HN 0.579 8.596 8.150 -0.214 0.004 0.446 57 H N -5.407 113.509 119.070 -0.255 0.000 2.563 57 H HA -0.039 4.536 4.556 0.031 0.000 0.272 57 H C 0.150 175.525 175.328 0.079 0.000 1.005 57 H CA 1.000 57.048 56.048 0.001 0.000 1.171 57 H CB -1.189 28.647 29.762 0.124 0.000 1.351 57 H HN 0.086 8.626 8.280 -0.105 -0.324 0.602 58 c N -1.150 117.360 118.600 -0.150 0.000 2.791 58 c HA -0.016 4.599 4.570 0.074 0.000 0.270 58 c C -1.074 173.090 174.090 0.123 0.000 1.257 58 c CA 0.142 56.476 56.329 0.008 0.000 1.699 58 c CB -1.433 41.051 42.510 -0.044 0.000 1.904 58 c HN -0.511 7.399 8.230 -0.202 0.198 0.603 59 Y N 2.280 122.576 120.300 -0.007 0.000 2.610 59 Y HA -0.191 4.378 4.550 0.031 0.000 0.332 59 Y C -1.377 174.503 175.900 -0.034 0.000 1.201 59 Y CA 1.435 59.536 58.100 0.001 0.000 1.465 59 Y CB 1.012 39.460 38.460 -0.020 0.000 1.283 59 Y HN -0.477 7.711 8.280 0.150 0.181 0.563 60 K N 6.142 125.790 120.400 -1.254 0.000 2.642 60 K HA 0.205 4.082 4.320 -0.737 0.000 0.290 60 K C -2.358 173.721 176.600 -0.869 0.000 1.006 60 K CA -0.958 54.793 56.287 -0.894 0.000 0.869 60 K CB 2.551 34.699 32.500 -0.586 0.000 1.499 60 K HN -0.156 7.269 8.250 -1.376 0.000 0.403 61 S N -0.295 115.125 115.700 -0.467 0.000 2.713 61 S HA 0.128 4.428 4.470 -0.284 0.000 0.283 61 S C 0.728 175.209 174.600 -0.200 0.000 1.161 61 S CA -0.355 57.687 58.200 -0.263 0.000 0.999 61 S CB 1.220 64.362 63.200 -0.096 0.000 1.039 61 S HN -0.180 7.931 8.310 -0.333 0.000 0.548 62 G N -0.059 108.664 108.800 -0.128 0.000 2.289 62 G HA2 -0.252 3.662 3.960 -0.076 0.000 0.280 62 G HA3 -0.252 3.646 3.960 -0.104 0.000 0.280 62 G C -1.735 173.103 174.900 -0.103 0.000 1.089 62 G CA 0.194 45.233 45.100 -0.102 0.000 0.939 62 G HN 0.300 8.530 8.290 -0.101 0.000 0.499 63 I N -1.427 119.091 120.570 -0.087 0.000 2.392 63 I HA 0.141 4.428 4.170 -0.002 -0.118 0.295 63 I C -1.769 174.305 176.117 -0.072 0.000 0.985 63 I CA -1.076 60.198 61.300 -0.042 0.000 1.221 63 I CB 1.395 39.389 38.000 -0.010 0.000 1.366 63 I HN -0.512 7.644 8.210 -0.090 0.000 0.467 64 Q N 6.374 126.113 119.800 -0.102 0.000 3.106 64 Q HA 0.644 5.029 4.340 -0.095 -0.102 0.247 64 Q C -1.669 174.229 176.000 -0.169 0.000 1.033 64 Q CA -2.028 53.696 55.803 -0.133 0.000 0.888 64 Q CB 4.357 32.984 28.738 -0.185 0.000 1.586 64 Q HN 0.550 8.759 8.270 -0.102 0.000 0.482 65 R N -2.506 117.925 120.500 -0.116 0.000 3.262 65 R HA 0.409 5.002 4.340 0.127 -0.176 0.270 65 R C -1.402 174.927 176.300 0.048 0.000 1.147 65 R CA 0.081 56.157 56.100 -0.039 0.000 1.189 65 R CB 2.370 32.495 30.300 -0.293 0.000 1.271 65 R HN 0.665 8.848 8.270 -0.146 0.000 0.447 70 E N -0.314 119.979 120.200 0.155 0.000 2.318 70 E HA 0.094 4.517 4.350 0.122 0.000 0.265 70 E C -1.843 174.936 176.600 0.298 0.000 1.069 70 E CA 0.350 56.853 56.400 0.171 0.000 0.893 70 E CB 1.525 31.250 29.700 0.043 0.000 1.076 70 E HN -0.638 7.787 8.360 0.174 0.039 0.414 71 D N 0.619 121.174 120.400 0.259 0.000 2.957 71 D HA 0.057 4.925 4.640 0.380 0.000 0.175 71 D C -1.114 175.384 176.300 0.331 0.000 1.502 71 D CA 1.093 55.267 54.000 0.291 0.000 1.524 71 D CB 2.486 43.369 40.800 0.139 0.000 1.300 71 D HN 0.100 8.569 8.370 0.165 0.000 0.241 72 N N 1.118 119.918 118.700 0.167 0.000 2.401 72 N HA 0.225 5.214 4.740 0.170 -0.148 0.255 72 N C 2.111 177.625 175.510 0.008 0.000 1.110 72 N CA -0.597 52.520 53.050 0.113 0.000 0.949 72 N CB 0.551 39.080 38.487 0.071 0.000 1.110 72 N HN -0.467 8.273 8.380 0.122 -0.287 0.490 73 I N 0.147 120.636 120.570 -0.136 0.000 3.444 73 I HA -0.043 4.130 4.170 -0.269 -0.164 0.287 73 I C -0.377 175.648 176.117 -0.153 0.000 1.302 73 I CA 1.154 62.268 61.300 -0.310 0.000 1.368 73 I CB -0.682 36.871 38.000 -0.745 0.000 1.048 73 I HN 0.454 8.603 8.210 -0.102 0.000 0.487 74 N N -2.241 116.419 118.700 -0.067 0.000 2.205 74 N HA 0.133 4.854 4.740 -0.032 0.000 0.201 74 N C -0.994 174.521 175.510 0.008 0.000 1.128 74 N CA 0.016 53.052 53.050 -0.023 0.000 0.867 74 N CB 2.094 40.578 38.487 -0.005 0.000 0.996 74 N HN -0.174 8.424 8.380 -0.044 -0.244 0.503 75 V N 0.313 120.237 119.914 0.017 0.000 2.638 75 V HA 0.052 4.188 4.120 0.026 0.000 0.306 75 V C -1.423 174.691 176.094 0.034 0.000 1.052 75 V CA -0.991 61.325 62.300 0.027 0.000 0.885 75 V CB 3.380 35.217 31.823 0.025 0.000 0.999 75 V HN -0.836 7.379 8.190 0.009 -0.019 0.424 76 V N 7.759 127.690 119.914 0.027 0.000 2.387 76 V HA -0.176 4.190 4.120 0.016 -0.237 0.260 76 V C 0.206 176.295 176.094 -0.009 0.000 1.054 76 V CA 0.651 62.952 62.300 0.002 0.000 0.967 76 V CB -0.444 31.359 31.823 -0.034 0.000 1.036 76 V HN 0.354 8.558 8.190 0.023 0.000 0.481 77 E N 7.984 128.182 120.200 -0.002 0.000 2.460 77 E HA 0.104 4.453 4.350 -0.000 0.000 0.200 77 E C -0.144 176.448 176.600 -0.012 0.000 1.011 77 E CA -0.336 56.064 56.400 0.000 0.000 0.912 77 E CB 0.580 30.290 29.700 0.018 0.000 0.953 77 E HN 0.269 9.030 8.360 0.006 -0.397 0.494 78 G N -0.097 108.685 108.800 -0.029 0.000 2.576 78 G HA2 -0.220 3.702 3.960 -0.064 0.000 0.686 78 G HA3 -0.220 3.723 3.960 -0.029 0.000 0.686 78 G C -1.668 173.215 174.900 -0.029 0.000 1.242 78 G CA -0.731 44.345 45.100 -0.040 0.000 0.819 78 G HN -0.493 7.973 8.290 -0.036 -0.198 0.655 79 N N -3.903 114.774 118.700 -0.038 0.000 2.941 79 N HA -0.292 4.435 4.740 -0.021 0.000 0.201 79 N C -0.766 174.730 175.510 -0.023 0.000 0.944 79 N CA 1.442 54.480 53.050 -0.020 0.000 1.027 79 N CB -0.465 38.025 38.487 0.005 0.000 0.992 79 N HN 0.422 8.771 8.380 -0.052 0.000 0.585 80 E N -0.217 119.950 120.200 -0.054 0.000 2.398 80 E HA 0.154 4.776 4.350 0.038 -0.249 0.263 80 E C -0.337 176.183 176.600 -0.132 0.000 1.046 80 E CA 0.733 57.098 56.400 -0.059 0.000 0.908 80 E CB 0.349 29.956 29.700 -0.155 0.000 0.963 80 E HN -0.062 8.142 8.360 -0.068 0.115 0.431 81 Q N 1.622 121.416 119.800 -0.010 0.000 2.285 81 Q HA 0.264 4.538 4.340 -0.111 0.000 0.269 81 Q C -1.583 174.555 176.000 0.229 0.000 1.030 81 Q CA -1.163 54.639 55.803 -0.002 0.000 0.788 81 Q CB 3.203 31.958 28.738 0.028 0.000 1.266 81 Q HN 0.162 8.502 8.270 0.117 0.000 0.438 82 F N 3.247 123.175 119.950 -0.037 0.000 2.426 82 F HA 0.481 5.156 4.527 -0.054 -0.180 0.348 82 F C -0.180 175.594 175.800 -0.044 0.000 1.124 82 F CA -2.886 55.086 58.000 -0.047 0.000 1.008 82 F CB 1.189 40.160 39.000 -0.049 0.000 1.139 82 F HN 0.365 8.694 8.300 0.047 0.000 0.452 83 I N 3.576 124.219 120.570 0.120 0.000 2.582 83 I HA 0.258 4.455 4.170 0.045 0.000 0.292 83 I C -1.392 174.721 176.117 -0.007 0.000 1.066 83 I CA -1.425 59.898 61.300 0.040 0.000 1.053 83 I CB 4.216 42.225 38.000 0.015 0.000 1.241 83 I HN 0.915 9.180 8.210 0.093 0.000 0.421 84 S N 4.956 120.644 115.700 -0.020 0.000 2.601 84 S HA 0.129 4.682 4.470 -0.051 -0.114 0.271 84 S C -0.478 174.085 174.600 -0.061 0.000 1.305 84 S CA 0.563 58.737 58.200 -0.043 0.000 1.022 84 S CB 1.109 64.287 63.200 -0.037 0.000 0.940 84 S HN 0.403 8.706 8.310 -0.011 0.000 0.525 85 A N 3.623 126.403 122.820 -0.066 0.000 2.363 85 A HA 0.214 4.584 4.320 -0.103 -0.112 0.270 85 A C -0.232 177.304 177.584 -0.081 0.000 1.121 85 A CA -0.351 51.638 52.037 -0.081 0.000 0.800 85 A CB 0.612 19.576 19.000 -0.059 0.000 1.052 85 A HN -0.155 7.958 8.150 -0.062 0.000 0.493 86 S N 3.528 119.159 115.700 -0.115 0.000 2.404 86 S HA 0.038 4.467 4.470 -0.070 0.000 0.223 86 S C 0.355 174.914 174.600 -0.068 0.000 1.040 86 S CA 1.492 59.633 58.200 -0.097 0.000 0.957 86 S CB 0.876 63.994 63.200 -0.137 0.000 0.826 86 S HN 0.789 8.880 8.310 -0.165 0.120 0.491 87 K N -0.093 120.257 120.400 -0.083 0.000 2.551 87 K HA 0.295 4.634 4.320 0.032 0.000 0.269 87 K C -2.376 174.246 176.600 0.038 0.000 0.949 87 K CA -0.656 55.629 56.287 -0.004 0.000 0.849 87 K CB 3.520 36.025 32.500 0.009 0.000 1.411 87 K HN -0.777 7.383 8.250 -0.150 0.000 0.432 88 S N 1.297 117.078 115.700 0.136 0.000 2.502 88 S HA 0.733 5.482 4.470 0.177 -0.173 0.304 88 S C -0.827 173.897 174.600 0.207 0.000 1.097 88 S CA -0.509 57.816 58.200 0.208 0.000 1.045 88 S CB 2.620 66.016 63.200 0.328 0.000 1.019 88 S HN 0.173 8.578 8.310 0.158 0.000 0.481 89 I N 7.508 128.210 120.570 0.221 0.000 2.405 89 I HA 0.122 4.378 4.170 0.144 0.000 0.280 89 I C -1.498 174.758 176.117 0.232 0.000 1.027 89 I CA -0.877 60.546 61.300 0.204 0.000 1.161 89 I CB 1.308 39.442 38.000 0.224 0.000 1.300 89 I HN 1.050 9.303 8.210 0.251 0.108 0.463 90 V N 7.812 127.795 119.914 0.115 0.000 2.686 90 V HA -0.180 3.984 4.120 0.073 0.000 0.295 90 V C -0.194 175.984 176.094 0.140 0.000 1.055 90 V CA -0.380 61.957 62.300 0.061 0.000 1.050 90 V CB 0.880 32.645 31.823 -0.097 0.000 0.984 90 V HN 0.349 8.560 8.190 0.035 0.000 0.482 91 H N 8.541 127.605 119.070 -0.009 0.000 3.034 91 H HA -0.000 4.448 4.556 -0.180 0.000 0.324 91 H C -0.412 174.902 175.328 -0.023 0.000 1.015 91 H CA 0.215 56.146 56.048 -0.195 0.000 1.429 91 H CB 1.553 31.018 29.762 -0.494 0.000 1.429 91 H HN -0.242 8.081 8.280 0.071 0.000 0.585 92 P HA -0.113 4.315 4.420 0.013 0.000 0.219 92 P C -0.402 176.939 177.300 0.069 0.000 1.146 92 P CA 1.488 64.557 63.100 -0.051 0.000 0.808 92 P CB 0.320 31.970 31.700 -0.083 0.000 0.779 93 S N -3.733 112.106 115.700 0.232 0.000 2.582 93 S HA 0.042 4.572 4.470 0.099 0.000 0.234 93 S C -0.597 174.111 174.600 0.180 0.000 0.961 93 S CA -0.037 58.287 58.200 0.207 0.000 0.953 93 S CB 0.410 63.731 63.200 0.202 0.000 0.800 93 S HN -0.424 8.080 8.310 0.381 0.035 0.471 94 Y N 3.854 124.211 120.300 0.094 0.000 2.620 94 Y HA -0.335 4.371 4.550 -0.026 -0.171 0.330 94 Y C -0.954 174.942 175.900 -0.006 0.000 1.186 94 Y CA 0.808 58.916 58.100 0.015 0.000 1.467 94 Y CB 0.701 39.174 38.460 0.021 0.000 1.262 94 Y HN -0.677 7.627 8.280 0.340 0.180 0.550 95 N N 7.622 125.965 118.700 -0.596 0.000 2.511 95 N HA 0.215 4.675 4.740 -0.467 0.000 0.249 95 N C -0.114 174.887 175.510 -0.849 0.000 0.971 95 N CA -1.336 51.374 53.050 -0.567 0.000 0.938 95 N CB 1.471 39.793 38.487 -0.275 0.000 1.131 95 N HN -0.020 8.149 8.380 -0.352 0.000 0.505 96 S N 6.938 122.134 115.700 -0.840 0.000 2.507 96 S HA -0.117 4.006 4.470 -0.577 0.000 0.235 96 S C 0.705 175.127 174.600 -0.296 0.000 0.988 96 S CA 2.116 60.000 58.200 -0.527 0.000 0.944 96 S CB -0.193 62.862 63.200 -0.241 0.000 0.762 96 S HN 0.639 8.543 8.310 -0.677 0.000 0.526 97 N N 1.469 120.001 118.700 -0.281 0.000 2.402 97 N HA 0.067 4.684 4.740 -0.203 0.000 0.174 97 N C 0.893 176.243 175.510 -0.267 0.000 1.027 97 N CA 2.090 55.005 53.050 -0.224 0.000 0.891 97 N CB 0.828 39.211 38.487 -0.173 0.000 1.016 97 N HN 0.286 8.725 8.380 -0.307 -0.244 0.439 98 T N -3.984 110.406 114.554 -0.273 0.000 2.990 98 T HA 0.096 4.242 4.350 -0.340 0.000 0.250 98 T C 0.169 174.677 174.700 -0.320 0.000 1.041 98 T CA 0.299 62.227 62.100 -0.287 0.000 1.010 98 T CB 1.854 70.609 68.868 -0.188 0.000 1.003 98 T HN -0.390 7.949 8.240 -0.273 -0.263 0.499 99 L N -3.642 117.430 121.223 -0.251 0.000 4.351 99 L HA -0.504 3.940 4.340 0.054 -0.071 0.410 99 L C -1.922 174.976 176.870 0.045 0.000 1.150 99 L CA 0.446 55.243 54.840 -0.072 0.000 0.961 99 L CB -2.584 39.371 42.059 -0.173 0.000 2.130 99 L HN -0.008 8.050 8.230 -0.287 0.000 0.787 100 N N -0.984 117.699 118.700 -0.028 0.000 2.518 100 N HA -0.153 4.633 4.740 0.077 0.000 0.266 100 N C 0.005 175.557 175.510 0.071 0.000 1.196 100 N CA 0.745 53.813 53.050 0.030 0.000 0.947 100 N CB 1.189 39.668 38.487 -0.014 0.000 1.098 100 N HN -0.675 7.585 8.380 -0.120 0.048 0.450 101 N N -0.915 117.823 118.700 0.064 0.000 2.783 101 N HA -0.474 4.199 4.740 -0.111 0.000 0.247 101 N C -1.445 174.047 175.510 -0.029 0.000 1.089 101 N CA 1.387 54.383 53.050 -0.089 0.000 0.690 101 N CB -1.490 36.847 38.487 -0.250 0.000 0.991 101 N HN 0.656 9.095 8.380 0.099 0.000 0.552 102 D N -1.053 119.373 120.400 0.043 0.000 2.551 102 D HA 0.063 4.716 4.640 0.023 0.000 0.223 102 D C -1.678 174.547 176.300 -0.125 0.000 1.144 102 D CA -0.315 53.711 54.000 0.045 0.000 1.025 102 D CB -0.652 40.273 40.800 0.209 0.000 1.085 102 D HN -0.180 8.230 8.370 0.066 0.000 0.506 103 I N 2.398 122.831 120.570 -0.230 0.000 2.802 103 I HA 0.604 4.877 4.170 -0.110 -0.169 0.298 103 I C -3.068 173.019 176.117 -0.050 0.000 1.176 103 I CA -1.591 59.600 61.300 -0.182 0.000 1.025 103 I CB 4.158 41.915 38.000 -0.405 0.000 1.243 103 I HN -0.076 7.949 8.210 -0.241 0.040 0.424 104 M N 5.940 125.580 119.600 0.067 0.000 2.470 104 M HA 0.719 5.533 4.480 0.254 -0.181 0.285 104 M C -2.806 173.627 176.300 0.222 0.000 1.213 104 M CA -1.049 54.351 55.300 0.167 0.000 0.901 104 M CB 4.844 37.497 32.600 0.088 0.000 1.718 104 M HN 0.387 8.711 8.290 0.055 0.000 0.469 105 L N 2.592 123.982 121.223 0.277 0.000 2.346 105 L HA 0.879 5.549 4.340 0.264 -0.172 0.274 105 L C -1.365 175.699 176.870 0.323 0.000 1.007 105 L CA -1.529 53.492 54.840 0.301 0.000 0.818 105 L CB 3.509 45.727 42.059 0.264 0.000 1.284 105 L HN 0.352 8.765 8.230 0.305 0.000 0.424 106 I N 0.687 121.430 120.570 0.289 0.000 2.465 106 I HA 0.617 5.028 4.170 0.103 -0.179 0.291 106 I C -1.578 174.493 176.117 -0.077 0.000 1.014 106 I CA -1.432 59.934 61.300 0.111 0.000 1.093 106 I CB 3.203 41.236 38.000 0.055 0.000 1.267 106 I HN 0.905 9.306 8.210 0.318 0.000 0.431 107 K N 6.317 126.479 120.400 -0.396 0.000 2.156 107 K HA 0.640 4.305 4.320 -1.346 -0.153 0.271 107 K C -1.115 175.203 176.600 -0.470 0.000 0.995 107 K CA -1.874 53.836 56.287 -0.961 0.000 0.890 107 K CB 3.112 34.895 32.500 -1.195 0.000 1.073 107 K HN 0.833 8.937 8.250 -0.243 0.000 0.454 108 L N 4.334 125.304 121.223 -0.421 0.000 2.357 108 L HA 0.270 4.624 4.340 -0.169 -0.115 0.273 108 L C 1.737 178.489 176.870 -0.196 0.000 1.080 108 L CA -0.307 54.400 54.840 -0.221 0.000 0.803 108 L CB 0.518 42.489 42.059 -0.148 0.000 1.174 108 L HN 0.665 8.563 8.230 -0.553 0.000 0.443 109 K N 3.436 123.760 120.400 -0.127 0.000 2.063 109 K HA -0.344 3.911 4.320 -0.107 0.000 0.208 109 K C -0.604 175.947 176.600 -0.081 0.000 1.048 109 K CA 2.719 58.949 56.287 -0.095 0.000 0.928 109 K CB 0.432 32.894 32.500 -0.062 0.000 0.713 109 K HN 0.756 8.943 8.250 -0.106 0.000 0.442 110 S N -3.177 112.482 115.700 -0.069 0.000 2.599 110 S HA 0.114 4.554 4.470 -0.051 0.000 0.287 110 S C -1.606 172.965 174.600 -0.049 0.000 1.105 110 S CA -0.872 57.299 58.200 -0.050 0.000 0.899 110 S CB 2.812 65.995 63.200 -0.029 0.000 1.100 110 S HN -0.578 7.693 8.310 -0.065 0.000 0.482 111 A N 0.113 122.913 122.820 -0.033 0.000 2.407 111 A HA -0.017 4.421 4.320 -0.031 -0.137 0.248 111 A C -0.434 177.147 177.584 -0.005 0.000 1.082 111 A CA -0.167 51.858 52.037 -0.019 0.000 0.785 111 A CB 0.731 19.730 19.000 -0.002 0.000 1.020 111 A HN 0.149 8.283 8.150 -0.028 0.000 0.489 112 A N 0.993 123.817 122.820 0.007 0.000 2.304 112 A HA 0.230 4.632 4.320 0.011 -0.075 0.271 112 A C -0.539 177.056 177.584 0.019 0.000 1.091 112 A CA -1.340 50.707 52.037 0.016 0.000 0.812 112 A CB 1.447 20.465 19.000 0.030 0.000 1.056 112 A HN 0.408 8.455 8.150 0.010 0.110 0.489 113 S N 0.660 116.370 115.700 0.016 0.000 2.430 113 S HA 0.093 4.572 4.470 0.016 0.000 0.289 113 S C -0.560 174.053 174.600 0.023 0.000 1.143 113 S CA -0.361 57.848 58.200 0.015 0.000 1.067 113 S CB 0.561 63.765 63.200 0.006 0.000 0.964 113 S HN -0.041 8.596 8.310 0.013 -0.320 0.485 114 L N 5.828 127.068 121.223 0.028 0.000 2.399 114 L HA 0.245 4.727 4.340 0.040 -0.118 0.266 114 L C -0.446 176.442 176.870 0.029 0.000 1.114 114 L CA -0.308 54.554 54.840 0.036 0.000 0.804 114 L CB 0.820 42.904 42.059 0.043 0.000 1.146 114 L HN 0.209 8.455 8.230 0.027 0.000 0.451 115 N N 1.935 120.655 118.700 0.032 0.000 3.517 115 N HA 0.118 4.873 4.740 0.024 0.000 0.329 115 N C -1.419 174.110 175.510 0.031 0.000 1.569 115 N CA -0.628 52.438 53.050 0.026 0.000 0.852 115 N CB 1.103 39.601 38.487 0.019 0.000 1.955 115 N HN 0.547 8.838 8.380 0.039 0.113 0.555 116 S N -1.753 113.962 115.700 0.026 0.000 2.423 116 S HA -0.223 4.268 4.470 0.034 0.000 0.231 116 S C 0.467 175.085 174.600 0.029 0.000 1.014 116 S CA 2.358 60.575 58.200 0.029 0.000 0.965 116 S CB 0.231 63.444 63.200 0.022 0.000 0.785 116 S HN 0.137 8.459 8.310 0.021 0.000 0.495 117 R N -0.330 120.185 120.500 0.025 0.000 2.254 117 R HA 0.022 4.373 4.340 0.017 0.000 0.195 117 R C -1.448 174.869 176.300 0.030 0.000 0.957 117 R CA 0.896 57.009 56.100 0.023 0.000 1.024 117 R CB 1.131 31.442 30.300 0.019 0.000 0.952 117 R HN -0.192 8.309 8.270 0.023 -0.217 0.484 118 V N -1.302 118.636 119.914 0.039 0.000 2.419 118 V HA 0.260 4.596 4.120 0.054 -0.183 0.287 118 V C -2.172 173.962 176.094 0.066 0.000 1.017 118 V CA -1.051 61.280 62.300 0.052 0.000 0.844 118 V CB 2.280 34.131 31.823 0.047 0.000 1.011 118 V HN -0.387 7.884 8.190 0.036 -0.059 0.429 119 A N 6.838 129.713 122.820 0.092 0.000 2.556 119 A HA 0.627 4.999 4.320 0.085 0.000 0.294 119 A C -3.010 174.665 177.584 0.152 0.000 1.091 119 A CA -1.592 50.510 52.037 0.108 0.000 0.704 119 A CB 2.940 22.005 19.000 0.109 0.000 1.300 119 A HN 0.180 8.265 8.150 0.100 0.125 0.406 120 S N -1.571 114.201 115.700 0.121 0.000 2.672 120 S HA 0.506 5.211 4.470 0.158 -0.140 0.276 120 S C -0.697 173.951 174.600 0.079 0.000 1.207 120 S CA -0.920 57.351 58.200 0.118 0.000 1.002 120 S CB 1.659 64.910 63.200 0.085 0.000 0.998 120 S HN -0.014 8.352 8.310 0.094 0.000 0.542 121 I N 0.680 121.252 120.570 0.003 0.000 2.607 121 I HA 0.236 4.326 4.170 -0.134 0.000 0.305 121 I C -1.188 174.875 176.117 -0.091 0.000 0.995 121 I CA -1.673 59.529 61.300 -0.163 0.000 1.148 121 I CB 3.912 41.584 38.000 -0.547 0.000 1.323 121 I HN 0.301 8.531 8.210 0.032 0.000 0.461 122 S N 5.536 121.181 115.700 -0.092 0.000 2.610 122 S HA 0.260 4.712 4.470 -0.029 0.000 0.273 122 S C -0.802 173.768 174.600 -0.049 0.000 1.274 122 S CA -0.487 57.683 58.200 -0.050 0.000 1.023 122 S CB 0.930 64.107 63.200 -0.039 0.000 0.962 122 S HN 0.109 8.349 8.310 -0.116 0.000 0.523 123 L N 2.382 123.592 121.223 -0.022 0.000 2.418 123 L HA 0.169 4.509 4.340 -0.000 0.000 0.265 123 L C -1.276 175.590 176.870 -0.007 0.000 1.143 123 L CA -2.039 52.799 54.840 -0.004 0.000 0.809 123 L CB 0.015 42.081 42.059 0.011 0.000 1.124 123 L HN 0.245 8.464 8.230 -0.017 0.000 0.456 124 P HA 0.117 4.526 4.420 -0.019 0.000 0.276 124 P C -1.191 176.108 177.300 -0.002 0.000 1.252 124 P CA -0.672 62.424 63.100 -0.007 0.000 0.802 124 P CB 0.729 32.424 31.700 -0.008 0.000 1.035 128 c N 0.637 119.211 118.600 -0.044 0.000 2.520 128 c HA 0.075 4.604 4.570 -0.068 0.000 0.376 128 c C 0.101 174.131 174.090 -0.101 0.000 1.268 128 c CA -0.670 55.617 56.329 -0.070 0.000 2.414 128 c CB 0.415 42.889 42.510 -0.061 0.000 2.521 128 c HN -0.030 8.177 8.230 -0.038 0.000 0.618 129 A N 1.275 123.998 122.820 -0.162 0.000 2.264 129 A HA 0.079 4.325 4.320 -0.123 0.000 0.304 129 A C -0.960 176.522 177.584 -0.170 0.000 1.100 129 A CA -0.252 51.681 52.037 -0.172 0.000 0.839 129 A CB 1.001 19.862 19.000 -0.232 0.000 1.121 129 A HN 0.232 8.258 8.150 -0.207 0.000 0.496 133 G N 0.449 109.213 108.800 -0.060 0.000 2.225 133 G HA2 -0.328 3.602 3.960 -0.051 0.000 0.254 133 G HA3 -0.328 3.607 3.960 -0.042 0.000 0.254 133 G C -0.142 174.722 174.900 -0.060 0.000 0.988 133 G CA 0.190 45.259 45.100 -0.052 0.000 0.625 133 G HN 0.786 8.929 8.290 -0.061 0.111 0.527 134 T N 4.342 118.849 114.554 -0.079 0.000 2.888 134 T HA -0.161 4.153 4.350 -0.061 0.000 0.301 134 T C -0.766 173.890 174.700 -0.073 0.000 1.001 134 T CA 2.425 64.478 62.100 -0.080 0.000 1.147 134 T CB 0.570 69.372 68.868 -0.111 0.000 0.931 134 T HN -0.384 7.718 8.240 -0.093 0.081 0.541 135 Q N 5.321 125.092 119.800 -0.048 0.000 2.261 135 Q HA 0.134 4.567 4.340 -0.040 -0.117 0.252 135 Q C -0.461 175.522 176.000 -0.029 0.000 0.915 135 Q CA 0.554 56.340 55.803 -0.030 0.000 0.915 135 Q CB 1.394 30.131 28.738 -0.002 0.000 1.204 135 Q HN 0.157 8.403 8.270 -0.041 0.000 0.421 136 c N 2.042 120.627 118.600 -0.025 0.000 3.044 136 c HA 0.593 5.258 4.570 -0.016 -0.104 0.315 136 c C -1.970 172.125 174.090 0.009 0.000 1.320 136 c CA -1.482 54.834 56.329 -0.021 0.000 1.582 136 c CB 4.427 46.905 42.510 -0.053 0.000 2.039 136 c HN 0.787 8.892 8.230 -0.026 0.109 0.466 137 L N 0.842 122.078 121.223 0.022 0.000 2.313 137 L HA 0.895 5.450 4.340 0.049 -0.185 0.283 137 L C -2.182 174.701 176.870 0.022 0.000 1.013 137 L CA -1.401 53.465 54.840 0.043 0.000 0.816 137 L CB 3.186 45.293 42.059 0.079 0.000 1.236 137 L HN 0.700 8.830 8.230 0.017 0.111 0.419 138 I N 7.656 128.222 120.570 -0.007 0.000 2.433 138 I HA 0.845 5.249 4.170 0.003 -0.232 0.292 138 I C -1.388 174.692 176.117 -0.061 0.000 1.001 138 I CA -1.492 59.797 61.300 -0.018 0.000 1.119 138 I CB 2.504 40.492 38.000 -0.020 0.000 1.289 138 I HN 0.947 9.154 8.210 -0.005 0.000 0.438 139 S N 3.094 118.752 115.700 -0.071 0.000 2.595 139 S HA 1.029 5.523 4.470 -0.232 -0.163 0.281 139 S C -1.121 173.356 174.600 -0.204 0.000 1.117 139 S CA -1.849 56.235 58.200 -0.193 0.000 0.873 139 S CB 3.766 66.813 63.200 -0.255 0.000 1.108 139 S HN -0.213 8.086 8.310 -0.017 0.000 0.477 140 G N -1.178 107.408 108.800 -0.356 0.000 2.321 140 G HA2 0.137 3.847 3.960 -0.416 0.000 0.298 140 G HA3 0.137 4.184 3.960 -0.061 -0.124 0.298 140 G C -2.154 172.528 174.900 -0.362 0.000 1.385 140 G CA 0.507 45.424 45.100 -0.305 0.000 0.856 140 G HN 0.285 8.306 8.290 -0.448 0.000 0.584 141 W N 1.238 122.488 121.300 -0.083 0.000 3.151 141 W HA 0.356 4.971 4.660 -0.075 0.000 0.424 141 W C -0.161 176.405 176.519 0.078 0.000 1.012 141 W CA -0.989 56.281 57.345 -0.125 0.000 2.018 141 W CB -0.036 29.144 29.460 -0.468 0.000 1.087 141 W HN 0.593 8.929 8.180 0.260 0.000 0.740 142 G N 0.823 109.801 108.800 0.297 0.000 2.616 142 G HA2 -0.054 4.265 3.960 0.570 0.000 0.268 142 G HA3 -0.054 4.238 3.960 0.284 -0.162 0.268 142 G C -0.904 174.123 174.900 0.211 0.000 1.213 142 G CA -0.793 44.524 45.100 0.361 0.000 0.926 142 G HN -0.423 8.111 8.290 0.179 -0.137 0.523 143 N N -0.197 118.538 118.700 0.058 0.000 2.294 143 N HA -0.316 4.208 4.740 -0.654 -0.177 0.248 143 N C 0.873 176.309 175.510 -0.124 0.000 1.242 143 N CA 1.191 54.051 53.050 -0.318 0.000 0.848 143 N CB 0.625 38.900 38.487 -0.354 0.000 1.084 143 N HN 0.172 8.685 8.380 0.221 0.000 0.457 144 T N 0.341 114.812 114.554 -0.138 0.000 3.054 144 T HA 0.193 4.650 4.350 -0.041 -0.132 0.255 144 T C 0.291 174.956 174.700 -0.058 0.000 1.035 144 T CA 0.498 62.559 62.100 -0.065 0.000 0.941 144 T CB 1.375 70.218 68.868 -0.042 0.000 1.026 144 T HN 0.453 8.569 8.240 -0.206 0.000 0.533 145 K N 2.293 122.643 120.400 -0.083 0.000 2.207 145 K HA 0.260 4.559 4.320 -0.036 0.000 0.255 145 K C -0.413 176.164 176.600 -0.038 0.000 0.941 145 K CA -1.202 55.052 56.287 -0.054 0.000 0.825 145 K CB 2.393 34.857 32.500 -0.061 0.000 1.119 145 K HN -0.523 7.916 8.250 -0.134 -0.269 0.430 146 S N 1.020 116.711 115.700 -0.016 0.000 2.377 146 S HA -0.143 4.332 4.470 0.007 0.000 0.223 146 S C 0.128 174.729 174.600 0.003 0.000 1.030 146 S CA 2.084 60.284 58.200 0.001 0.000 0.970 146 S CB 0.609 63.814 63.200 0.008 0.000 0.830 146 S HN 0.124 8.426 8.310 -0.014 0.000 0.473 147 S N 2.000 117.698 115.700 -0.003 0.000 2.426 147 S HA 0.188 4.662 4.470 0.007 0.000 0.236 147 S C -0.851 173.745 174.600 -0.007 0.000 1.368 147 S CA -0.199 58.001 58.200 0.001 0.000 1.154 147 S CB -0.209 62.993 63.200 0.004 0.000 1.037 147 S HN -0.479 7.827 8.310 -0.007 0.000 0.481 148 G N 1.916 110.710 108.800 -0.010 0.000 2.343 148 G HA2 -0.182 3.777 3.960 -0.002 0.000 0.465 148 G HA3 -0.182 3.768 3.960 -0.016 0.000 0.465 148 G C -2.749 172.124 174.900 -0.046 0.000 1.282 148 G CA -0.670 44.421 45.100 -0.015 0.000 0.996 148 G HN -0.277 8.010 8.290 -0.005 0.000 0.521 149 T N -3.890 110.633 114.554 -0.051 0.000 2.815 149 T HA 0.126 4.478 4.350 -0.238 -0.145 0.289 149 T C -1.436 173.170 174.700 -0.157 0.000 1.000 149 T CA -1.096 60.923 62.100 -0.134 0.000 0.958 149 T CB 1.585 70.451 68.868 -0.003 0.000 0.944 149 T HN -0.170 8.057 8.240 -0.021 0.000 0.442 150 S N 4.926 120.455 115.700 -0.285 0.000 2.779 150 S HA 0.261 4.707 4.470 -0.039 0.000 0.293 150 S C -2.127 172.326 174.600 -0.245 0.000 1.150 150 S CA -0.762 57.352 58.200 -0.144 0.000 1.057 150 S CB 1.274 64.428 63.200 -0.077 0.000 1.021 150 S HN 0.714 9.209 8.310 -0.407 -0.430 0.485 151 Y N 5.615 125.955 120.300 0.067 0.000 2.342 151 Y HA 0.216 4.822 4.550 0.095 0.000 0.334 151 Y C -0.938 175.012 175.900 0.082 0.000 1.067 151 Y CA -2.746 55.407 58.100 0.088 0.000 1.128 151 Y CB 1.208 39.731 38.460 0.106 0.000 1.200 151 Y HN 0.120 8.518 8.280 0.196 0.000 0.464 152 P HA 0.291 4.790 4.420 0.132 0.000 0.280 152 P C -1.606 175.823 177.300 0.215 0.000 1.272 152 P CA -1.170 62.036 63.100 0.176 0.000 0.819 152 P CB 1.931 33.706 31.700 0.126 0.000 1.122 153 D N -2.666 117.836 120.400 0.171 0.000 2.262 153 D HA -0.016 4.696 4.640 0.121 0.000 0.212 153 D C -0.687 175.769 176.300 0.261 0.000 0.964 153 D CA 1.691 55.785 54.000 0.156 0.000 0.875 153 D CB 0.838 41.696 40.800 0.097 0.000 0.996 153 D HN 0.413 8.863 8.370 0.134 0.000 0.497 154 V N -7.734 112.325 119.914 0.242 0.000 3.093 154 V HA 0.669 5.208 4.120 0.427 -0.163 0.320 154 V C -0.762 175.377 176.094 0.076 0.000 1.093 154 V CA -2.891 59.564 62.300 0.258 0.000 1.016 154 V CB 2.120 34.011 31.823 0.113 0.000 1.096 154 V HN -0.951 7.338 8.190 0.165 0.000 0.452 155 L N 1.242 122.366 121.223 -0.165 0.000 2.455 155 L HA -0.017 3.479 4.340 -1.406 0.000 0.272 155 L C -0.372 176.231 176.870 -0.445 0.000 1.174 155 L CA 0.670 55.056 54.840 -0.757 0.000 0.869 155 L CB 0.672 42.264 42.059 -0.778 0.000 1.130 155 L HN -0.157 8.291 8.230 0.048 -0.189 0.474 156 K N 5.687 125.805 120.400 -0.471 0.000 2.156 156 K HA 0.722 5.011 4.320 -0.327 -0.165 0.250 156 K C -1.098 175.244 176.600 -0.431 0.000 0.955 156 K CA -2.579 53.494 56.287 -0.356 0.000 0.855 156 K CB 2.415 34.772 32.500 -0.238 0.000 1.101 156 K HN -0.196 7.697 8.250 -0.594 0.000 0.434 157 c N -0.763 117.482 118.600 -0.592 0.000 2.707 157 c HA 0.940 5.432 4.570 -0.412 -0.169 0.313 157 c C -1.826 171.875 174.090 -0.648 0.000 1.209 157 c CA -0.685 55.239 56.329 -0.677 0.000 1.635 157 c CB 3.623 45.584 42.510 -0.915 0.000 2.206 157 c HN 0.813 8.527 8.230 -0.685 0.106 0.485 158 L N 0.285 121.348 121.223 -0.268 0.000 2.482 158 L HA 0.385 4.761 4.340 0.059 0.000 0.263 158 L C -2.519 174.413 176.870 0.103 0.000 0.957 158 L CA 0.054 54.886 54.840 -0.013 0.000 0.836 158 L CB 4.499 46.572 42.059 0.024 0.000 1.324 158 L HN 0.835 8.947 8.230 -0.196 0.000 0.406 159 K N 5.683 126.212 120.400 0.214 0.000 2.213 159 K HA 0.838 5.437 4.320 0.125 -0.204 0.270 159 K C -1.114 175.620 176.600 0.222 0.000 1.002 159 K CA -1.480 54.917 56.287 0.184 0.000 0.868 159 K CB 1.211 33.826 32.500 0.193 0.000 1.093 159 K HN 0.334 8.748 8.250 0.272 0.000 0.454 160 A N 3.934 126.815 122.820 0.103 0.000 2.549 160 A HA 0.650 4.953 4.320 -0.029 0.000 0.297 160 A C -3.392 174.122 177.584 -0.116 0.000 1.061 160 A CA -2.686 49.337 52.037 -0.022 0.000 0.690 160 A CB 3.151 22.140 19.000 -0.018 0.000 1.287 160 A HN 0.932 9.113 8.150 0.052 0.000 0.402 161 P HA 0.727 5.300 4.420 -0.101 -0.214 0.282 161 P C -1.140 176.092 177.300 -0.113 0.000 1.259 161 P CA -1.519 61.492 63.100 -0.149 0.000 0.826 161 P CB 1.671 33.279 31.700 -0.153 0.000 1.064 162 I N -0.171 120.351 120.570 -0.079 0.000 2.441 162 I HA 0.012 4.353 4.170 0.088 -0.119 0.287 162 I C 0.183 176.292 176.117 -0.015 0.000 1.049 162 I CA 0.175 61.460 61.300 -0.024 0.000 1.381 162 I CB 0.371 38.277 38.000 -0.157 0.000 1.409 162 I HN 0.045 8.199 8.210 -0.094 0.000 0.523 163 L N 6.856 128.106 121.223 0.044 0.000 2.454 163 L HA 0.212 4.545 4.340 -0.012 0.000 0.256 163 L C -0.264 176.626 176.870 0.033 0.000 1.136 163 L CA -0.802 54.051 54.840 0.022 0.000 0.804 163 L CB 0.611 42.691 42.059 0.036 0.000 1.181 163 L HN 0.337 8.525 8.230 0.120 0.114 0.469 164 S N -1.654 114.058 115.700 0.021 0.000 2.603 164 S HA 0.013 4.492 4.470 0.014 0.000 0.268 164 S C 0.361 174.987 174.600 0.044 0.000 1.317 164 S CA -0.788 57.425 58.200 0.022 0.000 1.012 164 S CB 1.389 64.596 63.200 0.011 0.000 0.926 164 S HN -0.062 8.256 8.310 0.012 0.000 0.539 165 D N 1.829 122.256 120.400 0.045 0.000 2.178 165 D HA -0.229 4.461 4.640 0.084 0.000 0.201 165 D C 1.508 177.840 176.300 0.053 0.000 0.980 165 D CA 3.496 57.533 54.000 0.061 0.000 0.842 165 D CB -0.378 40.454 40.800 0.053 0.000 0.948 165 D HN 0.596 8.985 8.370 0.031 0.000 0.472 166 S N -1.155 114.567 115.700 0.037 0.000 2.368 166 S HA -0.295 4.196 4.470 0.035 0.000 0.224 166 S C 2.009 176.626 174.600 0.030 0.000 1.029 166 S CA 3.387 61.605 58.200 0.031 0.000 0.988 166 S CB -0.375 62.837 63.200 0.020 0.000 0.838 166 S HN 0.001 8.320 8.310 0.030 0.009 0.462 167 S N 3.853 119.569 115.700 0.027 0.000 2.383 167 S HA -0.258 4.216 4.470 0.008 0.000 0.227 167 S C 1.758 176.375 174.600 0.027 0.000 1.026 167 S CA 4.065 62.276 58.200 0.018 0.000 0.981 167 S CB -0.075 63.133 63.200 0.012 0.000 0.818 167 S HN -0.474 7.774 8.310 0.027 0.078 0.472 168 c N 3.444 122.079 118.600 0.059 0.000 2.436 168 c HA -0.326 4.307 4.570 0.104 0.000 0.277 168 c C 1.742 175.907 174.090 0.125 0.000 1.241 168 c CA 2.866 59.257 56.329 0.104 0.000 1.721 168 c CB -1.676 40.908 42.510 0.124 0.000 2.043 168 c HN 0.008 8.274 8.230 0.060 0.000 0.472 169 K N -1.280 119.183 120.400 0.104 0.000 2.209 169 K HA -0.340 4.073 4.320 0.156 0.000 0.204 169 K C 2.373 179.016 176.600 0.071 0.000 1.048 169 K CA 2.899 59.250 56.287 0.108 0.000 0.940 169 K CB -0.341 32.208 32.500 0.082 0.000 0.729 169 K HN -0.027 8.275 8.250 0.088 0.000 0.451 170 S N -1.266 114.454 115.700 0.034 0.000 2.406 170 S HA -0.190 4.286 4.470 0.011 0.000 0.228 170 S C 1.315 175.889 174.600 -0.044 0.000 1.020 170 S CA 2.588 60.789 58.200 0.002 0.000 0.965 170 S CB 0.030 63.227 63.200 -0.005 0.000 0.798 170 S HN -0.540 7.668 8.310 0.035 0.123 0.488 171 A N -0.139 122.626 122.820 -0.092 0.000 1.930 171 A HA -0.079 4.085 4.320 -0.260 0.000 0.215 171 A C -0.191 177.126 177.584 -0.446 0.000 1.176 171 A CA 1.984 53.835 52.037 -0.310 0.000 0.632 171 A CB 0.947 19.687 19.000 -0.434 0.000 0.819 171 A HN -0.555 7.451 8.150 -0.042 0.119 0.445 172 Y N -5.618 114.721 120.300 0.064 0.000 2.495 172 Y HA 0.511 5.135 4.550 0.123 0.000 0.362 172 Y C -2.419 173.544 175.900 0.105 0.000 0.956 172 Y CA -3.685 54.486 58.100 0.119 0.000 1.127 172 Y CB -0.345 38.235 38.460 0.200 0.000 1.173 172 Y HN -0.341 7.977 8.280 0.065 0.000 0.639 173 P HA -0.108 4.499 4.420 0.109 -0.122 0.264 173 P C 0.871 178.240 177.300 0.115 0.000 1.193 173 P CA 1.176 64.343 63.100 0.112 0.000 0.763 173 P CB 0.063 31.802 31.700 0.063 0.000 0.810 174 G N 4.010 112.868 108.800 0.096 0.000 2.184 174 G HA2 -0.369 3.624 3.960 0.056 0.000 0.264 174 G HA3 -0.369 3.622 3.960 0.052 0.000 0.264 174 G C 0.173 175.118 174.900 0.076 0.000 0.975 174 G CA 0.607 45.749 45.100 0.069 0.000 0.642 174 G HN 0.500 8.846 8.290 0.093 0.000 0.536 175 Q N -2.114 117.768 119.800 0.136 0.000 2.217 175 Q HA 0.092 4.451 4.340 0.032 0.000 0.217 175 Q C -0.616 175.504 176.000 0.199 0.000 0.844 175 Q CA -0.441 55.437 55.803 0.125 0.000 0.957 175 Q CB 1.409 30.238 28.738 0.151 0.000 1.127 175 Q HN -0.121 8.191 8.270 0.188 0.070 0.503 176 I N 0.227 120.916 120.570 0.198 0.000 2.336 176 I HA 0.068 4.381 4.170 0.239 0.000 0.292 176 I C -0.413 175.778 176.117 0.124 0.000 0.991 176 I CA -2.245 59.167 61.300 0.188 0.000 1.227 176 I CB -0.577 37.528 38.000 0.175 0.000 1.366 176 I HN -0.459 7.856 8.210 0.176 0.000 0.466 177 T N 2.214 116.837 114.554 0.115 0.000 2.910 177 T HA 0.378 4.766 4.350 0.063 0.000 0.279 177 T C 0.714 175.463 174.700 0.081 0.000 0.989 177 T CA -2.146 60.001 62.100 0.078 0.000 0.968 177 T CB 2.297 71.201 68.868 0.061 0.000 1.135 177 T HN -0.399 7.926 8.240 0.141 0.000 0.562 178 S N -2.273 113.461 115.700 0.056 0.000 2.603 178 S HA -0.165 4.344 4.470 0.065 0.000 0.229 178 S C 0.032 174.671 174.600 0.064 0.000 0.972 178 S CA 1.713 59.944 58.200 0.052 0.000 0.935 178 S CB -0.276 62.936 63.200 0.019 0.000 0.769 178 S HN 0.238 8.571 8.310 0.039 0.000 0.536 179 N N -0.045 118.707 118.700 0.087 0.000 2.273 179 N HA 0.218 5.026 4.740 0.113 0.000 0.231 179 N C -1.724 173.902 175.510 0.193 0.000 1.134 179 N CA -0.460 52.673 53.050 0.139 0.000 0.856 179 N CB 1.015 39.608 38.487 0.177 0.000 1.068 179 N HN -0.575 7.763 8.380 0.086 0.094 0.510 180 M N -0.887 118.812 119.600 0.166 0.000 2.593 180 M HA 0.846 5.602 4.480 0.079 -0.228 0.290 180 M C -2.257 174.149 176.300 0.177 0.000 1.244 180 M CA -0.325 55.046 55.300 0.118 0.000 0.857 180 M CB 5.092 37.742 32.600 0.084 0.000 1.738 180 M HN -0.799 7.490 8.290 0.149 0.090 0.461 181 F N -5.749 114.246 119.950 0.074 0.000 2.662 181 F HA 0.607 5.167 4.527 0.055 0.000 0.312 181 F C -2.876 172.978 175.800 0.091 0.000 1.113 181 F CA -2.020 56.023 58.000 0.071 0.000 0.951 181 F CB 2.226 41.266 39.000 0.067 0.000 1.344 181 F HN 0.133 8.266 8.300 -0.278 0.000 0.462 182 c N -0.482 118.277 118.600 0.265 0.000 2.397 182 c HA 0.980 5.778 4.570 0.064 -0.190 0.343 182 c C -1.097 173.186 174.090 0.320 0.000 1.188 182 c CA -1.077 55.359 56.329 0.178 0.000 1.992 182 c CB 2.993 45.577 42.510 0.124 0.000 2.358 182 c HN 0.897 9.325 8.230 0.329 0.000 0.518 183 A N 2.558 125.549 122.820 0.285 0.000 2.476 183 A HA 0.709 5.239 4.320 0.091 -0.156 0.280 183 A C -2.259 175.374 177.584 0.082 0.000 1.081 183 A CA -0.459 51.667 52.037 0.148 0.000 0.753 183 A CB 2.734 21.739 19.000 0.008 0.000 1.248 183 A HN 0.384 8.727 8.150 0.321 0.000 0.424 184 Y N 2.795 123.127 120.300 0.054 0.000 2.365 184 Y HA 0.039 4.609 4.550 0.034 0.000 0.340 184 Y C 1.005 176.922 175.900 0.028 0.000 1.016 184 Y CA -0.036 58.086 58.100 0.037 0.000 1.196 184 Y CB 0.660 39.139 38.460 0.032 0.000 1.167 184 Y HN 0.304 8.719 8.280 0.225 0.000 0.509 185 L N 3.701 124.996 121.223 0.120 0.000 2.376 185 L HA -0.260 4.111 4.340 0.052 0.000 0.219 185 L C 0.989 177.903 176.870 0.073 0.000 1.133 185 L CA 1.932 56.812 54.840 0.068 0.000 0.816 185 L CB -0.392 41.686 42.059 0.032 0.000 0.933 185 L HN 0.528 8.816 8.230 0.096 0.000 0.449 186 E N -2.943 117.319 120.200 0.104 0.000 2.358 186 E HA -0.150 4.228 4.350 0.046 0.000 0.195 186 E C 0.266 176.901 176.600 0.057 0.000 1.010 186 E CA 0.262 56.702 56.400 0.067 0.000 0.856 186 E CB -0.122 29.614 29.700 0.061 0.000 0.795 186 E HN 0.065 8.470 8.360 0.157 0.049 0.504 187 G N 0.783 109.634 108.800 0.085 0.000 3.391 187 G HA2 -0.359 3.652 3.960 0.084 0.000 0.683 187 G HA3 -0.359 3.628 3.960 0.044 0.000 0.683 187 G C -0.854 174.069 174.900 0.038 0.000 1.071 187 G CA -0.270 44.869 45.100 0.065 0.000 0.904 187 G HN -0.639 7.578 8.290 0.133 0.152 0.452 188 K N 1.503 121.901 120.400 -0.004 0.000 7.012 188 K HA -0.605 3.949 4.320 0.003 -0.233 0.677 188 K C -1.351 175.338 176.600 0.150 0.000 2.516 188 K CA 0.526 56.822 56.287 0.015 0.000 1.841 188 K CB -0.087 32.317 32.500 -0.160 0.000 1.900 188 K HN 0.112 8.383 8.250 0.035 0.000 0.293 189 D N 0.353 120.827 120.400 0.123 0.000 2.769 189 D HA 0.287 5.049 4.640 0.202 0.000 0.309 189 D C -1.965 174.404 176.300 0.116 0.000 1.315 189 D CA -0.553 53.536 54.000 0.149 0.000 0.780 189 D CB 4.372 45.246 40.800 0.124 0.000 1.312 189 D HN 0.300 8.717 8.370 0.079 0.000 0.437 190 S N -1.801 113.982 115.700 0.139 0.000 2.707 190 S HA 0.408 5.007 4.470 0.096 -0.072 0.276 190 S C -1.356 173.299 174.600 0.092 0.000 1.179 190 S CA -0.699 57.575 58.200 0.124 0.000 0.992 190 S CB 1.866 65.184 63.200 0.197 0.000 1.030 190 S HN 0.293 8.704 8.310 0.169 0.000 0.554 191 c N -1.733 116.924 118.600 0.096 0.000 3.293 191 c HA 0.283 4.902 4.570 0.082 0.000 0.362 191 c C -1.568 172.608 174.090 0.144 0.000 1.539 191 c CA -0.522 55.864 56.329 0.094 0.000 1.201 191 c CB 2.911 45.459 42.510 0.062 0.000 1.770 191 c HN 0.317 8.899 8.230 0.111 -0.285 0.440 192 Q N 1.861 121.757 119.800 0.160 0.000 2.304 192 Q HA -0.339 4.133 4.340 0.220 0.000 0.301 192 Q C 0.962 177.159 176.000 0.328 0.000 1.063 192 Q CA 2.192 58.134 55.803 0.232 0.000 0.947 192 Q CB 0.591 29.473 28.738 0.240 0.000 1.201 192 Q HN 0.535 8.880 8.270 0.125 0.000 0.389 193 G N 6.285 115.277 108.800 0.320 0.000 2.254 193 G HA2 -0.415 3.721 3.960 0.294 0.000 0.225 193 G HA3 -0.415 3.864 3.960 0.533 0.000 0.225 193 G C 0.721 175.850 174.900 0.382 0.000 1.003 193 G CA 1.090 46.425 45.100 0.392 0.000 0.622 193 G HN 0.829 9.279 8.290 0.266 0.000 0.507 194 D N 2.036 122.600 120.400 0.273 0.000 2.301 194 D HA 0.077 4.862 4.640 0.242 0.000 0.206 194 D C 0.240 176.643 176.300 0.172 0.000 0.979 194 D CA 1.204 55.332 54.000 0.213 0.000 0.874 194 D CB 0.735 41.629 40.800 0.157 0.000 0.968 194 D HN 0.212 8.628 8.370 0.248 0.102 0.510 195 S N -0.350 115.447 115.700 0.162 0.000 2.599 195 S HA -0.611 4.082 4.470 0.134 -0.142 0.303 195 S C 0.921 175.544 174.600 0.039 0.000 1.267 195 S CA 2.519 60.791 58.200 0.121 0.000 1.055 195 S CB 0.035 63.337 63.200 0.170 0.000 0.790 195 S HN -0.651 7.771 8.310 0.188 0.000 0.500 196 G N 4.497 113.308 108.800 0.020 0.000 2.241 196 G HA2 -0.445 3.572 3.960 -0.023 0.000 0.244 196 G HA3 -0.445 3.586 3.960 -0.052 -0.103 0.244 196 G C -0.162 174.774 174.900 0.060 0.000 0.998 196 G CA 0.144 45.240 45.100 -0.007 0.000 0.621 196 G HN 0.871 9.082 8.290 0.055 0.111 0.519 197 G N 0.932 109.792 108.800 0.099 0.000 2.588 197 G HA2 0.414 4.516 3.960 0.123 0.000 0.281 197 G HA3 0.414 4.448 3.960 0.123 0.000 0.281 197 G C -2.718 172.265 174.900 0.138 0.000 1.236 197 G CA -2.035 43.138 45.100 0.122 0.000 0.969 197 G HN -0.189 8.070 8.290 0.106 0.095 0.504 198 P HA 0.365 4.991 4.420 0.133 -0.126 0.281 198 P C -1.621 175.743 177.300 0.107 0.000 1.249 198 P CA -0.920 62.272 63.100 0.154 0.000 0.810 198 P CB 1.610 33.470 31.700 0.267 0.000 1.008 199 V N 2.378 122.334 119.914 0.071 0.000 2.419 199 V HA 0.291 4.562 4.120 -0.020 -0.163 0.287 199 V C -1.086 175.020 176.094 0.019 0.000 1.017 199 V CA -0.412 61.891 62.300 0.004 0.000 0.844 199 V CB 1.731 33.529 31.823 -0.042 0.000 1.011 199 V HN -0.216 8.023 8.190 0.082 0.000 0.429 200 V N 8.403 128.321 119.914 0.007 0.000 2.459 200 V HA 0.627 4.899 4.120 -0.063 -0.190 0.295 200 V C -1.349 174.728 176.094 -0.029 0.000 1.029 200 V CA -1.250 61.029 62.300 -0.037 0.000 0.874 200 V CB 2.939 34.726 31.823 -0.061 0.000 0.985 200 V HN 0.630 8.838 8.190 0.030 0.000 0.438 201 c N 7.612 126.181 118.600 -0.051 0.000 2.396 201 c HA 0.566 5.114 4.570 -0.036 0.000 0.321 201 c C 0.220 174.281 174.090 -0.049 0.000 1.233 201 c CA -1.258 55.040 56.329 -0.052 0.000 1.440 201 c CB 1.950 44.410 42.510 -0.083 0.000 2.110 201 c HN 0.771 8.963 8.230 -0.063 0.000 0.473 202 S N 5.482 121.162 115.700 -0.033 0.000 3.486 202 S HA -0.351 4.110 4.470 -0.017 0.000 0.371 202 S C 0.330 174.911 174.600 -0.032 0.000 1.001 202 S CA 1.039 59.222 58.200 -0.028 0.000 1.164 202 S CB -1.310 61.870 63.200 -0.033 0.000 0.911 202 S HN 1.150 9.445 8.310 -0.024 0.000 0.472 203 G N -5.328 103.450 108.800 -0.036 0.000 2.155 203 G HA2 -0.362 3.564 3.960 -0.057 0.000 0.257 203 G HA3 -0.362 3.576 3.960 -0.036 0.000 0.257 203 G C -0.757 174.090 174.900 -0.087 0.000 0.983 203 G CA 0.463 45.531 45.100 -0.054 0.000 0.676 203 G HN 0.306 8.567 8.290 -0.027 0.013 0.528 210 Q N 1.171 120.988 119.800 0.028 0.000 2.373 210 Q HA 0.177 4.549 4.340 0.054 0.000 0.210 210 Q C -0.143 176.008 176.000 0.251 0.000 0.913 210 Q CA 0.314 56.154 55.803 0.062 0.000 0.911 210 Q CB 2.521 31.214 28.738 -0.075 0.000 1.040 210 Q HN 0.290 8.565 8.270 0.009 0.000 0.521 211 G N -3.363 105.605 108.800 0.281 0.000 2.694 211 G HA2 0.622 5.074 3.960 0.409 0.000 0.290 211 G HA3 0.622 4.863 3.960 0.468 0.000 0.290 211 G C -3.243 171.779 174.900 0.204 0.000 1.386 211 G CA -0.735 44.580 45.100 0.359 0.000 0.872 211 G HN -0.321 8.072 8.290 0.171 0.000 0.475 212 I N -1.494 119.195 120.570 0.198 0.000 2.498 212 I HA 0.547 5.029 4.170 0.163 -0.214 0.290 212 I C -0.456 175.801 176.117 0.235 0.000 1.032 212 I CA -1.376 60.026 61.300 0.170 0.000 1.073 212 I CB 4.298 42.358 38.000 0.099 0.000 1.251 212 I HN -0.405 7.918 8.210 0.189 0.000 0.426 213 V N 7.165 127.232 119.914 0.255 0.000 2.458 213 V HA -0.209 4.036 4.120 0.207 0.000 0.287 213 V C -1.133 174.994 176.094 0.054 0.000 1.009 213 V CA 2.054 64.470 62.300 0.194 0.000 1.091 213 V CB -1.157 30.792 31.823 0.210 0.000 0.960 213 V HN 0.420 8.736 8.190 0.211 0.000 0.476 214 S N 7.952 123.575 115.700 -0.128 0.000 3.142 214 S HA 0.378 5.048 4.470 0.334 0.000 0.223 214 S C -1.533 173.152 174.600 0.141 0.000 0.939 214 S CA 1.089 59.350 58.200 0.102 0.000 0.826 214 S CB 2.385 65.626 63.200 0.070 0.000 0.823 214 S HN -0.097 7.915 8.310 -0.496 0.000 0.612 215 W N -5.053 116.089 121.300 -0.264 0.000 2.959 215 W HA 0.263 4.823 4.660 -0.166 0.000 0.358 215 W C -2.969 173.370 176.519 -0.300 0.000 1.228 215 W CA -0.762 56.437 57.345 -0.244 0.000 1.183 215 W CB 1.561 30.866 29.460 -0.258 0.000 1.467 215 W HN -0.268 7.518 8.180 -0.656 0.000 0.578 216 G N -3.315 105.487 108.800 0.003 0.000 2.451 216 G HA2 0.102 3.716 3.960 -0.577 0.000 0.292 216 G HA3 0.102 3.967 3.960 -0.158 0.000 0.292 216 G C -2.120 172.899 174.900 0.198 0.000 1.427 216 G CA 0.191 45.207 45.100 -0.140 0.000 0.792 216 G HN -0.045 8.416 8.290 0.284 0.000 0.498 220 c N 1.814 120.452 118.600 0.063 0.000 3.401 220 c HA 0.307 5.042 4.570 0.064 -0.127 0.204 220 c C -1.343 172.780 174.090 0.054 0.000 1.522 220 c CA -1.150 55.214 56.329 0.058 0.000 1.409 220 c CB -1.601 40.937 42.510 0.047 0.000 1.967 220 c HN 0.396 8.659 8.230 0.055 0.000 0.496 221 Q N -1.940 117.893 119.800 0.055 0.000 2.889 221 Q HA 0.124 4.485 4.340 0.035 0.000 0.262 221 Q C -1.478 174.544 176.000 0.036 0.000 0.966 221 Q CA -0.367 55.461 55.803 0.042 0.000 0.858 221 Q CB 3.180 31.945 28.738 0.044 0.000 1.845 221 Q HN 0.020 8.329 8.270 0.065 0.000 0.464 222 K N 3.704 124.118 120.400 0.024 0.000 2.448 222 K HA -0.242 4.211 4.320 0.030 -0.114 0.278 222 K C 0.218 176.815 176.600 -0.005 0.000 1.009 222 K CA 0.682 56.979 56.287 0.017 0.000 0.995 222 K CB 0.025 32.532 32.500 0.012 0.000 0.917 222 K HN 0.259 8.522 8.250 0.021 0.000 0.481 223 N N 2.250 120.943 118.700 -0.012 0.000 2.713 223 N HA -0.474 4.239 4.740 -0.046 0.000 0.251 223 N C -1.684 173.749 175.510 -0.129 0.000 1.117 223 N CA 1.844 54.859 53.050 -0.058 0.000 0.770 223 N CB -0.472 37.975 38.487 -0.066 0.000 1.137 223 N HN 0.735 9.000 8.380 0.010 0.121 0.566 224 K N -2.467 117.887 120.400 -0.077 0.000 2.753 224 K HA 0.542 4.645 4.320 -0.361 0.000 0.185 224 K C -2.336 174.308 176.600 0.072 0.000 1.071 224 K CA -3.496 52.739 56.287 -0.088 0.000 0.999 224 K CB -0.108 32.402 32.500 0.016 0.000 1.244 224 K HN -0.757 7.426 8.250 -0.016 0.058 0.594 225 P HA -0.025 4.456 4.420 0.100 0.000 0.275 225 P C -0.601 176.747 177.300 0.079 0.000 1.266 225 P CA -0.457 62.706 63.100 0.106 0.000 0.793 225 P CB 1.189 32.941 31.700 0.086 0.000 1.074 226 G N -2.576 106.232 108.800 0.013 0.000 2.507 226 G HA2 0.394 4.125 3.960 -0.383 0.000 0.271 226 G HA3 0.394 4.186 3.960 -0.281 0.000 0.271 226 G C -1.877 172.669 174.900 -0.590 0.000 1.189 226 G CA -0.817 44.096 45.100 -0.312 0.000 0.859 226 G HN -0.399 7.964 8.290 0.122 0.000 0.542 227 V N 1.238 120.454 119.914 -1.164 0.000 2.604 227 V HA 0.718 4.596 4.120 -0.709 -0.184 0.305 227 V C -1.028 174.251 176.094 -1.358 0.000 1.043 227 V CA -1.194 60.409 62.300 -1.161 0.000 0.888 227 V CB 2.592 33.354 31.823 -1.768 0.000 0.995 227 V HN 0.429 7.875 8.190 -1.239 0.000 0.429 228 Y N 4.910 124.794 120.300 -0.694 0.000 2.485 228 Y HA 0.620 5.089 4.550 -0.385 -0.150 0.345 228 Y C 0.296 175.905 175.900 -0.485 0.000 0.998 228 Y CA -2.289 55.417 58.100 -0.657 0.000 1.059 228 Y CB 3.672 41.477 38.460 -1.091 0.000 1.234 228 Y HN 1.026 8.894 8.280 -0.686 0.000 0.461 229 T N 4.876 119.397 114.554 -0.055 0.000 2.851 229 T HA 0.049 4.624 4.350 0.098 -0.166 0.298 229 T C -0.635 174.202 174.700 0.229 0.000 0.977 229 T CA 1.322 63.473 62.100 0.084 0.000 1.126 229 T CB 0.515 69.419 68.868 0.059 0.000 0.916 229 T HN 0.446 8.687 8.240 0.001 0.000 0.529 230 K N 8.234 128.846 120.400 0.354 0.000 2.171 230 K HA 0.070 4.788 4.320 0.665 0.000 0.274 230 K C 1.089 177.938 176.600 0.415 0.000 1.110 230 K CA -0.386 56.181 56.287 0.467 0.000 0.952 230 K CB -0.400 32.330 32.500 0.383 0.000 1.309 230 K HN 0.239 8.564 8.250 0.315 0.113 0.414 231 V N 6.093 126.229 119.914 0.370 0.000 2.469 231 V HA -0.535 3.862 4.120 0.462 0.000 0.251 231 V C 1.411 177.666 176.094 0.269 0.000 1.064 231 V CA 3.929 66.433 62.300 0.340 0.000 1.066 231 V CB -0.294 31.661 31.823 0.220 0.000 0.667 231 V HN 0.284 8.702 8.190 0.380 0.000 0.461 232 c N -3.612 115.084 118.600 0.161 0.000 2.409 232 c HA -0.221 4.395 4.570 0.076 0.000 0.284 232 c C 1.648 175.758 174.090 0.034 0.000 1.354 232 c CA 1.621 57.996 56.329 0.077 0.000 1.787 232 c CB -2.139 40.385 42.510 0.024 0.000 1.900 232 c HN 0.456 8.762 8.230 0.158 0.019 0.520 233 N N 0.801 119.492 118.700 -0.015 0.000 2.467 233 N HA -0.066 4.576 4.740 -0.163 0.000 0.184 233 N C 0.166 175.425 175.510 -0.419 0.000 1.106 233 N CA 0.995 53.891 53.050 -0.257 0.000 0.892 233 N CB -0.104 38.100 38.487 -0.472 0.000 0.969 233 N HN -0.320 8.059 8.380 0.074 0.045 0.454 234 Y N -4.502 115.860 120.300 0.105 0.000 2.557 234 Y HA 0.181 4.856 4.550 0.208 0.000 0.247 234 Y C -0.070 175.963 175.900 0.221 0.000 1.164 234 Y CA -0.706 57.510 58.100 0.192 0.000 1.218 234 Y CB 0.030 38.622 38.460 0.219 0.000 1.210 234 Y HN -0.110 8.097 8.280 0.201 0.193 0.529 235 V N 1.068 121.118 119.914 0.227 0.000 2.332 235 V HA -0.570 3.643 4.120 0.156 0.000 0.248 235 V C 1.330 177.497 176.094 0.121 0.000 1.055 235 V CA 4.956 67.346 62.300 0.149 0.000 1.038 235 V CB -0.591 31.281 31.823 0.081 0.000 0.651 235 V HN -0.800 7.486 8.190 0.160 0.000 0.450 236 S N -0.155 115.618 115.700 0.122 0.000 2.368 236 S HA -0.325 4.169 4.470 0.040 0.000 0.225 236 S C 1.729 176.404 174.600 0.125 0.000 1.030 236 S CA 3.254 61.508 58.200 0.090 0.000 0.999 236 S CB -0.452 62.799 63.200 0.084 0.000 0.844 236 S HN 0.124 8.503 8.310 0.116 0.000 0.459 237 W N 4.147 125.488 121.300 0.068 0.000 2.355 237 W HA -0.184 4.510 4.660 0.055 0.000 0.309 237 W C 1.719 178.259 176.519 0.034 0.000 1.206 237 W CA 2.998 60.397 57.345 0.091 0.000 1.284 237 W CB -0.042 29.562 29.460 0.239 0.000 1.145 237 W HN -0.423 7.986 8.180 0.381 0.000 0.502 238 I N -0.748 119.845 120.570 0.038 0.000 2.127 238 I HA -0.766 3.023 4.170 -0.635 0.000 0.241 238 I C 1.851 177.743 176.117 -0.375 0.000 1.075 238 I CA 4.554 65.687 61.300 -0.278 0.000 1.334 238 I CB -0.244 37.749 38.000 -0.010 0.000 1.040 238 I HN 0.427 8.850 8.210 0.357 0.000 0.405 239 K N -0.936 119.342 120.400 -0.204 0.000 2.032 239 K HA -0.435 3.739 4.320 -0.244 0.000 0.209 239 K C 2.723 179.175 176.600 -0.247 0.000 1.048 239 K CA 3.853 60.017 56.287 -0.206 0.000 0.927 239 K CB -0.362 32.076 32.500 -0.103 0.000 0.712 239 K HN -0.162 8.034 8.250 -0.091 0.000 0.441 240 Q N -1.629 118.038 119.800 -0.221 0.000 2.079 240 Q HA -0.274 3.973 4.340 -0.154 0.000 0.200 240 Q C 2.792 178.606 176.000 -0.309 0.000 0.974 240 Q CA 3.122 58.803 55.803 -0.204 0.000 0.840 240 Q CB 0.051 28.714 28.738 -0.124 0.000 0.898 240 Q HN 0.193 8.358 8.270 -0.175 0.000 0.430 241 T N 2.669 116.913 114.554 -0.518 0.000 2.777 241 T HA -0.263 3.844 4.350 -0.405 0.000 0.266 241 T C 2.252 176.627 174.700 -0.542 0.000 1.040 241 T CA 5.013 66.763 62.100 -0.582 0.000 1.141 241 T CB -0.155 68.115 68.868 -0.998 0.000 0.868 241 T HN 0.060 7.926 8.240 -0.623 0.000 0.444 242 I N 1.125 121.271 120.570 -0.706 0.000 2.226 242 I HA -0.456 2.954 4.170 -1.268 0.000 0.245 242 I C 1.766 177.668 176.117 -0.359 0.000 1.100 242 I CA 3.811 64.593 61.300 -0.864 0.000 1.374 242 I CB -0.367 37.048 38.000 -0.975 0.000 1.057 242 I HN 0.143 7.941 8.210 -0.686 0.000 0.413 243 A N -0.361 122.299 122.820 -0.268 0.000 2.019 243 A HA -0.202 4.062 4.320 -0.092 0.000 0.219 243 A C 1.086 178.625 177.584 -0.075 0.000 1.164 243 A CA 2.962 54.921 52.037 -0.130 0.000 0.644 243 A CB -0.307 18.625 19.000 -0.114 0.000 0.805 243 A HN 0.148 8.110 8.150 -0.314 0.000 0.449 244 S N -4.954 110.690 115.700 -0.094 0.000 2.557 244 S HA 0.084 4.542 4.470 -0.020 0.000 0.223 244 S C -0.300 174.305 174.600 0.009 0.000 0.969 244 S CA 0.062 58.239 58.200 -0.039 0.000 0.927 244 S CB 0.692 63.860 63.200 -0.053 0.000 0.806 244 S HN -0.429 7.653 8.310 -0.159 0.133 0.489 245 N N 0.000 118.734 118.700 0.056 0.000 1.763 245 N HA 0.000 4.815 4.740 0.125 0.000 0.220 245 N CA 0.000 53.161 53.050 0.185 0.000 0.885 245 N CB 0.000 38.675 38.487 0.313 0.000 1.341 245 N HN 0.000 8.221 8.380 0.020 0.171 0.667