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 1o2t_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 4.185 4.170 0.026 0.000 0.288 16 I C 0.000 176.110 176.117 -0.012 0.000 1.063 16 I CA 0.000 61.297 61.300 -0.005 0.000 1.566 16 I CB 0.000 37.964 38.000 -0.060 0.000 1.214 17 V N 4.997 124.916 119.914 0.008 0.000 2.513 17 V HA 0.294 4.534 4.120 -0.013 -0.128 0.299 17 V C 0.581 176.678 176.094 0.006 0.000 1.035 17 V CA -1.748 60.553 62.300 0.001 0.000 0.889 17 V CB 1.380 33.209 31.823 0.010 0.000 0.988 17 V HN 0.891 9.098 8.190 0.029 0.000 0.440 18 G N 6.335 115.133 108.800 -0.004 0.000 2.153 18 G HA2 -0.399 3.555 3.960 -0.010 0.000 0.252 18 G HA3 -0.399 3.705 3.960 -0.025 -0.160 0.252 18 G C -0.604 174.306 174.900 0.017 0.000 0.994 18 G CA 0.544 45.640 45.100 -0.008 0.000 0.698 18 G HN 0.783 9.069 8.290 -0.007 0.000 0.521 19 G N -0.935 107.875 108.800 0.016 0.000 2.606 19 G HA2 0.470 4.482 3.960 0.104 0.000 0.262 19 G HA3 0.470 4.467 3.960 -0.076 -0.083 0.262 19 G C -1.646 173.309 174.900 0.092 0.000 1.394 19 G CA -0.989 44.126 45.100 0.025 0.000 1.044 19 G HN -0.681 7.566 8.290 -0.004 0.041 0.553 20 Y N -6.153 114.128 120.300 -0.032 0.000 2.638 20 Y HA 0.365 4.898 4.550 -0.028 0.000 0.339 20 Y C -1.874 174.001 175.900 -0.042 0.000 1.084 20 Y CA -2.765 55.316 58.100 -0.032 0.000 1.068 20 Y CB 1.063 39.507 38.460 -0.027 0.000 1.294 20 Y HN 0.263 8.216 8.280 -0.544 0.000 0.480 21 T N 2.848 117.460 114.554 0.097 0.000 2.799 21 T HA 0.065 4.483 4.350 -0.096 -0.126 0.296 21 T C -0.038 174.682 174.700 0.033 0.000 0.947 21 T CA 1.366 63.467 62.100 0.001 0.000 1.141 21 T CB -0.265 68.632 68.868 0.047 0.000 0.891 21 T HN 0.122 8.475 8.240 0.189 0.000 0.533 22 c N 5.762 124.282 118.600 -0.133 0.000 2.429 22 c HA -0.151 4.404 4.570 -0.024 0.000 0.277 22 c C 0.472 174.575 174.090 0.022 0.000 1.262 22 c CA 0.683 56.964 56.329 -0.081 0.000 1.733 22 c CB -0.149 42.248 42.510 -0.189 0.000 2.010 22 c HN 0.208 8.309 8.230 -0.215 0.000 0.483 23 G N -1.755 107.046 108.800 0.000 0.000 2.906 23 G HA2 -0.180 3.796 3.960 0.026 0.000 0.686 23 G HA3 -0.180 3.799 3.960 0.031 0.000 0.686 23 G C -1.819 173.081 174.900 0.001 0.000 1.170 23 G CA -0.732 44.379 45.100 0.019 0.000 0.775 23 G HN -0.369 7.906 8.290 -0.026 0.000 0.630 24 A N 4.146 126.974 122.820 0.014 0.000 2.566 24 A HA -0.250 4.247 4.320 0.027 -0.161 0.245 24 A C -0.151 177.437 177.584 0.007 0.000 1.056 24 A CA 1.107 53.156 52.037 0.019 0.000 0.757 24 A CB 0.059 19.076 19.000 0.028 0.000 0.979 24 A HN 0.317 8.479 8.150 0.021 0.000 0.508 25 N N -2.595 116.106 118.700 0.002 0.000 2.693 25 N HA -0.374 4.354 4.740 -0.020 0.000 0.249 25 N C 0.557 176.047 175.510 -0.032 0.000 1.119 25 N CA 1.645 54.687 53.050 -0.013 0.000 0.717 25 N CB -1.289 37.202 38.487 0.005 0.000 1.071 25 N HN 0.557 8.946 8.380 0.015 0.000 0.555 26 T N -3.512 111.015 114.554 -0.046 0.000 3.088 26 T HA -0.000 4.342 4.350 -0.013 0.000 0.259 26 T C 0.067 174.715 174.700 -0.087 0.000 1.122 26 T CA 2.186 64.264 62.100 -0.036 0.000 1.095 26 T CB 0.451 69.312 68.868 -0.012 0.000 0.930 26 T HN -0.465 7.715 8.240 -0.050 0.030 0.508 27 V N 2.430 122.232 119.914 -0.186 0.000 2.260 27 V HA 0.390 4.253 4.120 -0.428 0.000 0.263 27 V C -1.458 174.335 176.094 -0.502 0.000 1.036 27 V CA -3.316 58.721 62.300 -0.438 0.000 0.874 27 V CB 0.477 32.016 31.823 -0.473 0.000 1.116 27 V HN -0.480 7.558 8.190 -0.158 0.057 0.454 28 P HA 0.068 4.538 4.420 -0.089 -0.103 0.230 28 P C -0.044 177.214 177.300 -0.071 0.000 1.158 28 P CA 1.519 64.548 63.100 -0.119 0.000 0.769 28 P CB 0.137 31.841 31.700 0.006 0.000 0.807 29 Y N -6.146 114.178 120.300 0.040 0.000 2.457 29 Y HA 0.497 5.217 4.550 0.055 -0.137 0.263 29 Y C -0.607 175.329 175.900 0.059 0.000 1.164 29 Y CA -3.276 54.853 58.100 0.049 0.000 1.274 29 Y CB -1.206 37.279 38.460 0.041 0.000 1.097 29 Y HN -0.413 7.270 8.280 -0.902 0.056 0.523 30 Q N 2.803 122.470 119.800 -0.223 0.000 2.313 30 Q HA 0.184 4.707 4.340 0.083 -0.133 0.266 30 Q C -0.311 175.768 176.000 0.132 0.000 0.989 30 Q CA 0.231 56.012 55.803 -0.037 0.000 0.890 30 Q CB 1.059 29.668 28.738 -0.216 0.000 1.200 30 Q HN -0.701 7.194 8.270 -0.527 0.058 0.396 31 V N 0.995 121.025 119.914 0.194 0.000 3.074 31 V HA 0.836 5.189 4.120 0.190 -0.119 0.314 31 V C -2.066 174.172 176.094 0.239 0.000 1.117 31 V CA -2.883 59.526 62.300 0.182 0.000 1.014 31 V CB 3.992 35.873 31.823 0.096 0.000 1.057 31 V HN 0.353 8.654 8.190 0.185 0.000 0.438 32 S N 0.392 116.142 115.700 0.083 0.000 2.473 32 S HA 0.523 5.237 4.470 0.198 -0.125 0.307 32 S C -1.116 173.364 174.600 -0.201 0.000 1.094 32 S CA -2.074 56.119 58.200 -0.013 0.000 1.070 32 S CB 1.911 64.900 63.200 -0.352 0.000 1.019 32 S HN 0.008 8.326 8.310 0.014 0.000 0.480 33 L N 6.713 127.686 121.223 -0.417 0.000 2.282 33 L HA 0.619 4.869 4.340 -0.383 -0.139 0.288 33 L C -1.527 174.857 176.870 -0.811 0.000 1.033 33 L CA -0.977 53.484 54.840 -0.631 0.000 0.807 33 L CB 1.165 42.680 42.059 -0.907 0.000 1.209 33 L HN 0.761 8.707 8.230 -0.473 0.000 0.423 38 G N 0.905 109.603 108.800 -0.170 0.000 2.179 38 G HA2 -0.337 3.604 3.960 -0.031 0.000 0.220 38 G HA3 -0.337 3.677 3.960 0.091 0.000 0.220 38 G C -1.852 173.124 174.900 0.127 0.000 0.990 38 G CA 0.216 45.319 45.100 0.005 0.000 0.646 38 G HN 0.322 8.779 8.290 -0.208 -0.292 0.517 39 Y N -7.146 113.130 120.300 -0.040 0.000 2.732 39 Y HA 0.211 4.722 4.550 -0.065 0.000 0.342 39 Y C -2.531 173.364 175.900 -0.009 0.000 1.203 39 Y CA -3.431 54.646 58.100 -0.039 0.000 1.092 39 Y CB 0.648 39.085 38.460 -0.038 0.000 1.345 39 Y HN -1.173 6.881 8.280 -0.414 -0.023 0.458 40 H N 2.579 121.593 119.070 -0.093 0.000 2.690 40 H HA 0.153 4.673 4.556 -0.363 -0.182 0.314 40 H C -0.392 174.921 175.328 -0.026 0.000 1.069 40 H CA -0.729 55.193 56.048 -0.210 0.000 1.436 40 H CB 0.482 30.104 29.762 -0.232 0.000 1.462 40 H HN 0.283 8.661 8.280 0.164 0.000 0.511 41 F N 2.263 121.770 119.950 -0.740 0.000 2.819 41 F HA 0.319 4.744 4.527 -0.170 0.000 0.325 41 F C -1.484 174.059 175.800 -0.430 0.000 1.041 41 F CA -0.646 57.112 58.000 -0.404 0.000 1.184 41 F CB 1.600 40.446 39.000 -0.257 0.000 1.019 41 F HN 0.080 7.657 8.300 -1.205 0.000 0.590 42 c N -1.609 116.339 118.600 -1.087 0.000 3.321 42 c HA 0.400 4.901 4.570 -0.195 -0.048 0.329 42 c C -1.649 172.256 174.090 -0.309 0.000 1.394 42 c CA -0.297 55.735 56.329 -0.496 0.000 1.291 42 c CB 4.047 46.345 42.510 -0.353 0.000 1.606 42 c HN -0.807 6.472 8.230 -1.584 0.000 0.463 43 G N -0.972 107.826 108.800 -0.004 0.000 2.601 43 G HA2 0.810 5.080 3.960 0.251 0.000 0.317 43 G HA3 0.810 4.896 3.960 0.211 0.000 0.317 43 G C -2.531 172.397 174.900 0.047 0.000 1.246 43 G CA -1.625 43.565 45.100 0.150 0.000 1.012 43 G HN 0.843 9.133 8.290 0.000 0.000 0.494 44 G N -4.027 104.831 108.800 0.097 0.000 2.506 44 G HA2 0.523 4.803 3.960 0.071 0.000 0.292 44 G HA3 0.523 4.515 3.960 0.053 0.000 0.292 44 G C -2.934 172.049 174.900 0.137 0.000 1.425 44 G CA 0.299 45.449 45.100 0.082 0.000 0.788 44 G HN -0.593 7.788 8.290 0.152 0.000 0.490 45 S N -0.405 115.381 115.700 0.144 0.000 2.521 45 S HA 0.809 5.636 4.470 0.263 -0.199 0.295 45 S C -1.301 173.399 174.600 0.167 0.000 1.098 45 S CA -0.932 57.385 58.200 0.196 0.000 0.999 45 S CB 3.746 67.046 63.200 0.168 0.000 1.034 45 S HN 0.477 8.858 8.310 0.119 0.000 0.483 46 L N 6.414 127.752 121.223 0.191 0.000 2.315 46 L HA 0.175 4.715 4.340 0.144 -0.114 0.283 46 L C -0.790 176.164 176.870 0.140 0.000 1.089 46 L CA -0.157 54.778 54.840 0.158 0.000 0.833 46 L CB 0.851 43.002 42.059 0.155 0.000 1.170 46 L HN 0.411 8.793 8.230 0.253 0.000 0.442 47 I N 0.309 120.959 120.570 0.134 0.000 4.070 47 I HA 0.461 4.818 4.170 0.068 -0.146 0.328 47 I C -0.877 175.300 176.117 0.099 0.000 1.298 47 I CA -0.514 60.843 61.300 0.095 0.000 1.173 47 I CB 0.880 38.925 38.000 0.076 0.000 1.051 47 I HN 0.337 8.645 8.210 0.162 0.000 0.409 48 N N -2.468 116.316 118.700 0.139 0.000 3.116 48 N HA 0.188 4.986 4.740 0.097 0.000 0.244 48 N C -0.463 175.128 175.510 0.134 0.000 1.485 48 N CA -0.581 52.548 53.050 0.132 0.000 0.884 48 N CB 1.096 39.677 38.487 0.157 0.000 1.415 48 N HN -0.889 7.590 8.380 0.165 0.000 0.524 49 S N -3.089 112.674 115.700 0.106 0.000 2.500 49 S HA -0.359 4.152 4.470 0.067 0.000 0.239 49 S C 0.786 175.415 174.600 0.048 0.000 0.989 49 S CA 2.788 61.031 58.200 0.073 0.000 0.951 49 S CB -0.229 63.003 63.200 0.053 0.000 0.759 49 S HN 0.438 8.808 8.310 0.099 0.000 0.523 50 Q N -0.887 118.954 119.800 0.068 0.000 2.127 50 Q HA 0.340 4.615 4.340 -0.109 0.000 0.222 50 Q C -2.260 173.587 176.000 -0.255 0.000 0.794 50 Q CA -0.628 55.114 55.803 -0.100 0.000 1.010 50 Q CB 2.693 31.346 28.738 -0.141 0.000 1.170 50 Q HN 0.248 8.953 8.270 0.167 -0.335 0.479 51 W N -2.268 119.038 121.300 0.009 0.000 2.915 51 W HA 0.677 5.536 4.660 0.006 -0.195 0.337 51 W C -1.502 175.029 176.519 0.020 0.000 1.102 51 W CA -1.020 56.329 57.345 0.007 0.000 1.224 51 W CB 3.781 33.235 29.460 -0.009 0.000 1.416 51 W HN -0.498 7.904 8.180 0.228 -0.085 0.503 52 V N 0.987 121.059 119.914 0.263 0.000 2.914 52 V HA 0.829 5.223 4.120 0.170 -0.172 0.314 52 V C -1.516 174.693 176.094 0.191 0.000 1.084 52 V CA -1.845 60.561 62.300 0.177 0.000 0.963 52 V CB 3.946 35.830 31.823 0.101 0.000 1.025 52 V HN 0.799 9.156 8.190 0.278 0.000 0.432 53 V N 4.649 124.651 119.914 0.148 0.000 2.555 53 V HA 0.777 5.163 4.120 0.157 -0.172 0.302 53 V C -1.329 174.823 176.094 0.096 0.000 1.038 53 V CA -1.374 61.007 62.300 0.133 0.000 0.887 53 V CB 2.583 34.477 31.823 0.119 0.000 0.991 53 V HN 0.649 8.921 8.190 0.135 0.000 0.434 54 S N 4.104 119.848 115.700 0.074 0.000 2.973 54 S HA 0.580 5.282 4.470 0.033 -0.212 0.317 54 S C -2.045 172.548 174.600 -0.012 0.000 1.196 54 S CA -2.523 55.693 58.200 0.026 0.000 0.894 54 S CB 2.438 65.641 63.200 0.005 0.000 1.292 54 S HN 0.663 9.028 8.310 0.092 0.000 0.614 55 A N -0.672 122.101 122.820 -0.077 0.000 2.312 55 A HA 0.467 4.876 4.320 -0.104 -0.152 0.328 55 A C 0.552 178.024 177.584 -0.186 0.000 1.158 55 A CA -1.721 50.231 52.037 -0.142 0.000 0.821 55 A CB 1.720 20.581 19.000 -0.232 0.000 1.170 55 A HN 0.257 8.351 8.150 -0.094 0.000 0.490 56 A N 4.599 127.254 122.820 -0.276 0.000 1.933 56 A HA -0.264 3.909 4.320 -0.245 0.000 0.218 56 A C 1.440 178.798 177.584 -0.375 0.000 1.175 56 A CA 2.947 54.701 52.037 -0.472 0.000 0.628 56 A CB -0.411 17.884 19.000 -1.175 0.000 0.814 56 A HN 0.637 8.640 8.150 -0.264 -0.011 0.444 57 H N -4.577 114.329 119.070 -0.273 0.000 2.567 57 H HA -0.106 4.479 4.556 0.049 0.000 0.276 57 H C 0.217 175.593 175.328 0.079 0.000 1.016 57 H CA 1.586 57.636 56.048 0.004 0.000 1.186 57 H CB -1.244 28.589 29.762 0.118 0.000 1.351 57 H HN 0.032 8.508 8.280 -0.189 -0.308 0.605 58 c N -1.942 116.607 118.600 -0.086 0.000 2.697 58 c HA 0.020 4.668 4.570 0.131 0.000 0.267 58 c C 0.415 174.588 174.090 0.139 0.000 1.278 58 c CA 0.098 56.460 56.329 0.055 0.000 1.708 58 c CB -1.470 41.036 42.510 -0.008 0.000 1.860 58 c HN -0.315 7.619 8.230 -0.171 0.193 0.589 59 Y N 3.637 123.942 120.300 0.008 0.000 2.702 59 Y HA -0.258 4.314 4.550 0.037 0.000 0.336 59 Y C -0.717 175.165 175.900 -0.029 0.000 1.235 59 Y CA 2.135 60.240 58.100 0.009 0.000 1.492 59 Y CB 0.572 39.023 38.460 -0.015 0.000 1.308 59 Y HN -0.396 7.802 8.280 0.156 0.176 0.589 60 K N 5.570 125.210 120.400 -1.266 0.000 2.772 60 K HA 0.168 4.064 4.320 -0.706 0.000 0.292 60 K C -2.539 173.564 176.600 -0.829 0.000 1.049 60 K CA -1.051 54.717 56.287 -0.866 0.000 0.846 60 K CB 2.129 34.292 32.500 -0.562 0.000 1.514 60 K HN -0.081 7.256 8.250 -1.522 0.000 0.373 61 S N 0.074 115.508 115.700 -0.444 0.000 2.687 61 S HA 0.140 4.452 4.470 -0.262 0.000 0.283 61 S C 0.785 175.267 174.600 -0.197 0.000 1.170 61 S CA -0.213 57.837 58.200 -0.250 0.000 1.008 61 S CB 1.186 64.324 63.200 -0.103 0.000 1.026 61 S HN -0.157 7.957 8.310 -0.328 0.000 0.541 62 G N 0.118 108.839 108.800 -0.131 0.000 2.291 62 G HA2 -0.163 3.748 3.960 -0.082 0.000 0.271 62 G HA3 -0.163 3.730 3.960 -0.111 0.000 0.271 62 G C -1.644 173.194 174.900 -0.104 0.000 1.099 62 G CA 0.094 45.130 45.100 -0.108 0.000 0.919 62 G HN 0.328 8.555 8.290 -0.106 0.000 0.496 63 I N -1.356 119.163 120.570 -0.086 0.000 2.377 63 I HA 0.196 4.504 4.170 0.004 -0.136 0.293 63 I C -1.748 174.325 176.117 -0.074 0.000 0.987 63 I CA -1.187 60.088 61.300 -0.041 0.000 1.185 63 I CB 1.423 39.417 38.000 -0.011 0.000 1.341 63 I HN -0.548 7.607 8.210 -0.091 0.000 0.455 64 Q N 6.750 126.487 119.800 -0.104 0.000 3.106 64 Q HA 0.596 4.975 4.340 -0.095 -0.096 0.247 64 Q C -1.699 174.203 176.000 -0.163 0.000 1.033 64 Q CA -2.037 53.687 55.803 -0.132 0.000 0.888 64 Q CB 4.386 33.010 28.738 -0.191 0.000 1.586 64 Q HN 0.469 8.676 8.270 -0.105 0.000 0.482 65 R N -2.555 117.889 120.500 -0.095 0.000 3.008 65 R HA 0.395 4.990 4.340 0.147 -0.167 0.284 65 R C -1.353 174.985 176.300 0.064 0.000 1.187 65 R CA 0.034 56.129 56.100 -0.008 0.000 1.139 65 R CB 2.229 32.395 30.300 -0.223 0.000 1.273 65 R HN 0.606 8.801 8.270 -0.126 0.000 0.410 70 E N -0.700 119.591 120.200 0.152 0.000 2.319 70 E HA 0.113 4.534 4.350 0.119 0.000 0.268 70 E C -1.674 175.105 176.600 0.299 0.000 1.050 70 E CA 0.450 56.954 56.400 0.174 0.000 0.878 70 E CB 1.477 31.211 29.700 0.057 0.000 1.066 70 E HN -0.566 7.863 8.360 0.173 0.035 0.406 71 D N 1.049 121.600 120.400 0.252 0.000 2.957 71 D HA 0.057 4.911 4.640 0.356 0.000 0.175 71 D C -1.156 175.335 176.300 0.318 0.000 1.502 71 D CA 1.060 55.226 54.000 0.277 0.000 1.524 71 D CB 2.395 43.275 40.800 0.133 0.000 1.300 71 D HN 0.124 8.590 8.370 0.160 0.000 0.241 72 N N 0.969 119.765 118.700 0.161 0.000 2.401 72 N HA 0.164 5.120 4.740 0.162 -0.118 0.255 72 N C 2.070 177.581 175.510 0.003 0.000 1.110 72 N CA -0.545 52.570 53.050 0.108 0.000 0.949 72 N CB 0.514 39.042 38.487 0.068 0.000 1.110 72 N HN -0.697 7.971 8.380 0.119 -0.216 0.490 73 I N 0.141 120.627 120.570 -0.140 0.000 3.291 73 I HA -0.067 4.089 4.170 -0.276 -0.152 0.279 73 I C -0.425 175.606 176.117 -0.145 0.000 1.294 73 I CA 1.303 62.423 61.300 -0.299 0.000 1.428 73 I CB -0.620 36.967 38.000 -0.689 0.000 1.070 73 I HN 0.592 8.733 8.210 -0.116 0.000 0.478 74 N N -2.026 116.636 118.700 -0.063 0.000 2.205 74 N HA 0.126 4.847 4.740 -0.032 0.000 0.201 74 N C -0.782 174.733 175.510 0.008 0.000 1.128 74 N CA -0.009 53.028 53.050 -0.022 0.000 0.867 74 N CB 1.965 40.448 38.487 -0.006 0.000 0.996 74 N HN -0.093 8.537 8.380 -0.042 -0.275 0.503 75 V N -0.012 119.911 119.914 0.015 0.000 2.588 75 V HA 0.032 4.167 4.120 0.025 0.000 0.304 75 V C -1.392 174.721 176.094 0.032 0.000 1.042 75 V CA -1.127 61.188 62.300 0.025 0.000 0.877 75 V CB 3.317 35.154 31.823 0.023 0.000 0.996 75 V HN -0.810 7.424 8.190 0.006 -0.040 0.425 76 V N 7.454 127.384 119.914 0.026 0.000 2.408 76 V HA -0.155 4.198 4.120 0.012 -0.225 0.267 76 V C 0.108 176.196 176.094 -0.010 0.000 1.047 76 V CA 0.539 62.839 62.300 -0.000 0.000 0.937 76 V CB -0.008 31.793 31.823 -0.036 0.000 0.999 76 V HN 0.270 8.474 8.190 0.022 0.000 0.472 77 E N 7.841 128.037 120.200 -0.008 0.000 2.511 77 E HA 0.151 4.498 4.350 -0.004 0.000 0.209 77 E C -0.300 176.291 176.600 -0.015 0.000 0.986 77 E CA -0.521 55.877 56.400 -0.003 0.000 0.974 77 E CB 0.784 30.492 29.700 0.014 0.000 1.030 77 E HN 0.267 9.052 8.360 -0.004 -0.427 0.490 78 G N 0.206 108.987 108.800 -0.032 0.000 2.576 78 G HA2 -0.226 3.696 3.960 -0.062 0.000 0.686 78 G HA3 -0.226 3.716 3.960 -0.029 0.000 0.686 78 G C -1.716 173.165 174.900 -0.031 0.000 1.242 78 G CA -0.691 44.385 45.100 -0.041 0.000 0.819 78 G HN -0.459 8.057 8.290 -0.043 -0.251 0.655 79 N N -3.858 114.819 118.700 -0.039 0.000 2.994 79 N HA -0.282 4.443 4.740 -0.024 0.000 0.221 79 N C -1.099 174.394 175.510 -0.028 0.000 0.900 79 N CA 1.286 54.322 53.050 -0.023 0.000 1.008 79 N CB -0.209 38.279 38.487 0.001 0.000 1.053 79 N HN 0.157 8.506 8.380 -0.052 0.000 0.580 80 E N -1.158 119.002 120.200 -0.067 0.000 2.343 80 E HA 0.203 4.796 4.350 0.016 -0.234 0.269 80 E C -0.202 176.313 176.600 -0.141 0.000 1.047 80 E CA 0.382 56.736 56.400 -0.077 0.000 0.874 80 E CB 0.625 30.223 29.700 -0.169 0.000 1.033 80 E HN -0.236 7.983 8.360 -0.088 0.087 0.409 81 Q N 1.658 121.442 119.800 -0.027 0.000 2.274 81 Q HA 0.278 4.556 4.340 -0.104 0.000 0.268 81 Q C -1.526 174.593 176.000 0.199 0.000 1.015 81 Q CA -1.183 54.615 55.803 -0.008 0.000 0.775 81 Q CB 2.974 31.725 28.738 0.021 0.000 1.256 81 Q HN 0.304 8.624 8.270 0.083 0.000 0.442 82 F N 3.695 123.623 119.950 -0.036 0.000 2.402 82 F HA 0.432 5.104 4.527 -0.053 -0.177 0.355 82 F C -0.243 175.530 175.800 -0.044 0.000 1.123 82 F CA -2.915 55.057 58.000 -0.046 0.000 1.021 82 F CB 0.899 39.870 39.000 -0.048 0.000 1.160 82 F HN 0.392 8.715 8.300 0.039 0.000 0.451 83 I N 4.224 124.865 120.570 0.118 0.000 2.545 83 I HA 0.251 4.445 4.170 0.041 0.000 0.292 83 I C -1.254 174.859 176.117 -0.008 0.000 1.040 83 I CA -1.408 59.914 61.300 0.037 0.000 1.068 83 I CB 3.909 41.917 38.000 0.013 0.000 1.251 83 I HN 0.808 9.076 8.210 0.096 0.000 0.424 84 S N 5.485 121.173 115.700 -0.020 0.000 2.592 84 S HA 0.077 4.516 4.470 -0.051 0.000 0.271 84 S C -0.502 174.061 174.600 -0.061 0.000 1.326 84 S CA 0.721 58.895 58.200 -0.043 0.000 1.024 84 S CB 1.034 64.212 63.200 -0.036 0.000 0.921 84 S HN 0.436 8.739 8.310 -0.010 0.000 0.527 85 A N 3.352 126.132 122.820 -0.067 0.000 2.363 85 A HA 0.103 4.463 4.320 -0.102 -0.101 0.270 85 A C -0.789 176.747 177.584 -0.081 0.000 1.121 85 A CA -0.006 51.982 52.037 -0.081 0.000 0.800 85 A CB 0.324 19.286 19.000 -0.063 0.000 1.052 85 A HN -0.135 7.977 8.150 -0.063 0.000 0.493 86 S N 3.740 119.372 115.700 -0.113 0.000 2.404 86 S HA 0.039 4.467 4.470 -0.070 0.000 0.223 86 S C -0.256 174.304 174.600 -0.067 0.000 1.040 86 S CA 1.622 59.764 58.200 -0.097 0.000 0.957 86 S CB 0.836 63.952 63.200 -0.141 0.000 0.826 86 S HN 0.653 8.752 8.310 -0.161 0.115 0.491 87 K N -1.421 118.933 120.400 -0.078 0.000 2.568 87 K HA 0.279 4.619 4.320 0.034 0.000 0.273 87 K C -2.520 174.106 176.600 0.044 0.000 0.951 87 K CA -0.636 55.652 56.287 0.002 0.000 0.854 87 K CB 3.338 35.848 32.500 0.017 0.000 1.424 87 K HN -0.769 7.398 8.250 -0.137 0.000 0.427 88 S N 1.144 116.928 115.700 0.140 0.000 2.502 88 S HA 0.768 5.532 4.470 0.181 -0.186 0.304 88 S C -0.765 173.968 174.600 0.222 0.000 1.097 88 S CA -0.467 57.861 58.200 0.213 0.000 1.045 88 S CB 2.645 66.040 63.200 0.326 0.000 1.019 88 S HN 0.177 8.585 8.310 0.163 0.000 0.481 89 I N 7.605 128.314 120.570 0.232 0.000 2.405 89 I HA 0.112 4.378 4.170 0.160 0.000 0.280 89 I C -1.510 174.756 176.117 0.248 0.000 1.027 89 I CA -0.840 60.592 61.300 0.220 0.000 1.161 89 I CB 1.221 39.365 38.000 0.240 0.000 1.300 89 I HN 1.043 9.300 8.210 0.259 0.108 0.463 90 V N 7.791 127.783 119.914 0.130 0.000 2.686 90 V HA -0.170 4.001 4.120 0.085 0.000 0.295 90 V C -0.234 175.940 176.094 0.134 0.000 1.055 90 V CA -0.440 61.903 62.300 0.071 0.000 1.050 90 V CB 0.917 32.688 31.823 -0.086 0.000 0.984 90 V HN 0.351 8.573 8.190 0.053 0.000 0.482 91 H N 8.634 127.681 119.070 -0.038 0.000 3.034 91 H HA -0.022 4.359 4.556 -0.291 0.000 0.324 91 H C -0.474 174.822 175.328 -0.054 0.000 1.015 91 H CA 0.384 56.285 56.048 -0.245 0.000 1.429 91 H CB 1.528 30.991 29.762 -0.498 0.000 1.429 91 H HN -0.242 8.077 8.280 0.065 0.000 0.585 92 P HA -0.104 4.323 4.420 0.012 0.000 0.219 92 P C -0.444 176.901 177.300 0.076 0.000 1.146 92 P CA 1.436 64.508 63.100 -0.047 0.000 0.808 92 P CB 0.349 31.995 31.700 -0.089 0.000 0.779 93 S N -3.596 112.253 115.700 0.248 0.000 2.583 93 S HA 0.044 4.574 4.470 0.100 0.000 0.239 93 S C -0.624 174.082 174.600 0.176 0.000 0.966 93 S CA 0.000 58.324 58.200 0.206 0.000 0.973 93 S CB 0.363 63.681 63.200 0.198 0.000 0.794 93 S HN -0.416 8.131 8.310 0.451 0.034 0.463 94 Y N 3.599 123.948 120.300 0.081 0.000 2.511 94 Y HA -0.259 4.457 4.550 -0.037 -0.188 0.332 94 Y C -0.896 174.999 175.900 -0.010 0.000 1.177 94 Y CA 0.683 58.785 58.100 0.004 0.000 1.422 94 Y CB 0.966 39.432 38.460 0.011 0.000 1.271 94 Y HN -0.670 7.632 8.280 0.326 0.174 0.550 95 N N 7.240 125.539 118.700 -0.668 0.000 2.518 95 N HA 0.219 4.664 4.740 -0.493 0.000 0.254 95 N C -0.231 174.744 175.510 -0.892 0.000 0.979 95 N CA -1.282 51.402 53.050 -0.610 0.000 0.930 95 N CB 1.670 39.981 38.487 -0.294 0.000 1.152 95 N HN -0.217 7.884 8.380 -0.466 0.000 0.505 96 S N 7.017 122.198 115.700 -0.864 0.000 2.507 96 S HA -0.123 4.019 4.470 -0.546 0.000 0.235 96 S C 0.703 175.130 174.600 -0.288 0.000 0.988 96 S CA 2.301 60.191 58.200 -0.517 0.000 0.944 96 S CB -0.217 62.849 63.200 -0.223 0.000 0.762 96 S HN 0.639 8.534 8.310 -0.692 0.000 0.526 97 N N 1.678 120.209 118.700 -0.281 0.000 2.368 97 N HA 0.007 4.628 4.740 -0.199 0.000 0.176 97 N C 0.854 176.209 175.510 -0.259 0.000 1.021 97 N CA 2.175 55.092 53.050 -0.222 0.000 0.888 97 N CB 0.617 39.001 38.487 -0.172 0.000 0.995 97 N HN 0.364 8.778 8.380 -0.314 -0.223 0.437 98 T N -4.290 110.105 114.554 -0.264 0.000 2.990 98 T HA 0.090 4.250 4.350 -0.317 0.000 0.250 98 T C 0.083 174.606 174.700 -0.295 0.000 1.041 98 T CA 0.238 62.176 62.100 -0.270 0.000 1.010 98 T CB 1.879 70.642 68.868 -0.175 0.000 1.003 98 T HN -0.450 7.872 8.240 -0.270 -0.245 0.499 99 L N -3.166 117.918 121.223 -0.232 0.000 4.089 99 L HA -0.500 3.960 4.340 0.072 -0.077 0.408 99 L C -1.889 175.023 176.870 0.070 0.000 1.184 99 L CA 0.382 55.197 54.840 -0.041 0.000 0.947 99 L CB -2.683 39.314 42.059 -0.104 0.000 2.066 99 L HN -0.057 8.006 8.230 -0.278 0.000 0.851 100 N N -0.954 117.741 118.700 -0.008 0.000 2.530 100 N HA -0.117 4.677 4.740 0.090 0.000 0.273 100 N C -0.056 175.502 175.510 0.080 0.000 1.173 100 N CA 0.395 53.471 53.050 0.043 0.000 0.967 100 N CB 1.351 39.834 38.487 -0.006 0.000 1.109 100 N HN -0.769 7.514 8.380 -0.107 0.033 0.453 101 N N -0.722 118.019 118.700 0.068 0.000 2.756 101 N HA -0.460 4.196 4.740 -0.139 0.000 0.248 101 N C -1.428 174.066 175.510 -0.026 0.000 1.062 101 N CA 1.371 54.363 53.050 -0.097 0.000 0.696 101 N CB -1.523 36.805 38.487 -0.266 0.000 0.946 101 N HN 0.607 9.052 8.380 0.108 0.000 0.548 102 D N -1.019 119.404 120.400 0.037 0.000 2.608 102 D HA 0.058 4.695 4.640 -0.005 0.000 0.224 102 D C -1.689 174.518 176.300 -0.154 0.000 1.123 102 D CA -0.402 53.615 54.000 0.029 0.000 1.030 102 D CB -0.780 40.133 40.800 0.188 0.000 1.093 102 D HN -0.087 8.316 8.370 0.054 0.000 0.497 103 I N 1.803 122.222 120.570 -0.253 0.000 2.802 103 I HA 0.548 4.802 4.170 -0.129 -0.162 0.298 103 I C -3.088 172.993 176.117 -0.060 0.000 1.176 103 I CA -1.521 59.659 61.300 -0.200 0.000 1.025 103 I CB 4.057 41.798 38.000 -0.432 0.000 1.243 103 I HN -0.244 7.766 8.210 -0.265 0.041 0.424 104 M N 6.484 126.120 119.600 0.060 0.000 2.484 104 M HA 0.707 5.510 4.480 0.251 -0.173 0.289 104 M C -2.761 173.674 176.300 0.226 0.000 1.206 104 M CA -1.121 54.279 55.300 0.166 0.000 0.892 104 M CB 4.823 37.474 32.600 0.084 0.000 1.712 104 M HN 0.506 8.742 8.290 0.046 0.082 0.462 105 L N 2.950 124.344 121.223 0.285 0.000 2.334 105 L HA 0.868 5.539 4.340 0.266 -0.171 0.276 105 L C -1.296 175.770 176.870 0.326 0.000 1.014 105 L CA -1.523 53.498 54.840 0.303 0.000 0.815 105 L CB 3.292 45.508 42.059 0.261 0.000 1.268 105 L HN 0.369 8.792 8.230 0.321 0.000 0.428 106 I N 0.444 121.188 120.570 0.290 0.000 2.498 106 I HA 0.642 5.057 4.170 0.096 -0.187 0.290 106 I C -1.611 174.442 176.117 -0.105 0.000 1.032 106 I CA -1.429 59.932 61.300 0.101 0.000 1.073 106 I CB 3.307 41.337 38.000 0.049 0.000 1.251 106 I HN 0.732 9.139 8.210 0.329 0.000 0.426 107 K N 6.093 126.235 120.400 -0.430 0.000 2.138 107 K HA 0.675 4.268 4.320 -1.464 -0.152 0.263 107 K C -1.140 175.167 176.600 -0.488 0.000 0.965 107 K CA -1.950 53.723 56.287 -1.023 0.000 0.868 107 K CB 3.223 34.987 32.500 -1.226 0.000 1.083 107 K HN 0.724 8.816 8.250 -0.262 0.000 0.443 108 L N 4.522 125.481 121.223 -0.439 0.000 2.357 108 L HA 0.135 4.474 4.340 -0.176 -0.104 0.273 108 L C 0.124 176.876 176.870 -0.197 0.000 1.080 108 L CA -0.190 54.513 54.840 -0.228 0.000 0.803 108 L CB 0.542 42.508 42.059 -0.154 0.000 1.174 108 L HN 0.546 8.323 8.230 -0.587 0.101 0.443 109 K N 1.882 122.207 120.400 -0.126 0.000 2.103 109 K HA -0.304 3.954 4.320 -0.104 0.000 0.207 109 K C -0.380 176.171 176.600 -0.081 0.000 1.048 109 K CA 2.373 58.603 56.287 -0.094 0.000 0.930 109 K CB 0.564 33.027 32.500 -0.061 0.000 0.716 109 K HN 0.712 8.899 8.250 -0.105 0.000 0.444 110 S N -3.464 112.193 115.700 -0.070 0.000 2.627 110 S HA 0.093 4.531 4.470 -0.053 0.000 0.283 110 S C -1.947 172.622 174.600 -0.052 0.000 1.127 110 S CA -0.954 57.215 58.200 -0.051 0.000 0.863 110 S CB 2.875 66.056 63.200 -0.031 0.000 1.121 110 S HN -0.430 7.839 8.310 -0.068 0.000 0.479 111 A N -0.088 122.711 122.820 -0.035 0.000 2.351 111 A HA 0.064 4.526 4.320 -0.034 -0.162 0.257 111 A C -0.515 177.064 177.584 -0.007 0.000 1.087 111 A CA -0.040 51.984 52.037 -0.021 0.000 0.798 111 A CB 0.880 19.878 19.000 -0.003 0.000 1.033 111 A HN 0.077 8.211 8.150 -0.028 0.000 0.488 112 A N 0.159 122.982 122.820 0.005 0.000 2.271 112 A HA 0.270 4.673 4.320 0.009 -0.077 0.288 112 A C -0.614 176.980 177.584 0.017 0.000 1.094 112 A CA -1.470 50.576 52.037 0.014 0.000 0.828 112 A CB 1.566 20.583 19.000 0.028 0.000 1.091 112 A HN 0.277 8.322 8.150 0.008 0.110 0.493 113 S N -0.125 115.584 115.700 0.015 0.000 2.452 113 S HA 0.124 4.603 4.470 0.014 0.000 0.284 113 S C -0.574 174.039 174.600 0.022 0.000 1.171 113 S CA -0.447 57.762 58.200 0.014 0.000 1.064 113 S CB 0.715 63.918 63.200 0.005 0.000 0.967 113 S HN 0.059 8.740 8.310 0.013 -0.363 0.484 114 L N 5.584 126.823 121.223 0.027 0.000 2.343 114 L HA 0.266 4.742 4.340 0.039 -0.112 0.275 114 L C -0.654 176.232 176.870 0.028 0.000 1.056 114 L CA -0.467 54.393 54.840 0.034 0.000 0.804 114 L CB 0.918 43.002 42.059 0.041 0.000 1.203 114 L HN 0.220 8.464 8.230 0.025 0.000 0.440 115 N N 2.723 121.441 118.700 0.030 0.000 3.658 115 N HA 0.165 4.919 4.740 0.023 0.000 0.353 115 N C -1.370 174.158 175.510 0.030 0.000 1.513 115 N CA -0.470 52.595 53.050 0.025 0.000 0.756 115 N CB 0.967 39.465 38.487 0.018 0.000 2.702 115 N HN 0.623 8.917 8.380 0.037 0.108 0.534 116 S N -2.786 112.930 115.700 0.026 0.000 2.503 116 S HA 0.050 4.541 4.470 0.035 0.000 0.217 116 S C 0.452 175.068 174.600 0.027 0.000 0.999 116 S CA 1.864 60.081 58.200 0.029 0.000 0.914 116 S CB 0.531 63.744 63.200 0.022 0.000 0.782 116 S HN -0.074 8.248 8.310 0.020 0.000 0.520 117 R N -0.834 119.680 120.500 0.023 0.000 2.223 117 R HA 0.147 4.494 4.340 0.012 0.000 0.198 117 R C -1.118 175.196 176.300 0.023 0.000 0.984 117 R CA 0.296 56.407 56.100 0.018 0.000 1.018 117 R CB 1.032 31.342 30.300 0.015 0.000 0.945 117 R HN 0.050 8.613 8.270 0.021 -0.280 0.479 118 V N -2.137 117.797 119.914 0.034 0.000 2.525 118 V HA 0.319 4.675 4.120 0.047 -0.208 0.299 118 V C -2.183 173.948 176.094 0.062 0.000 1.034 118 V CA -1.098 61.231 62.300 0.047 0.000 0.863 118 V CB 3.018 34.867 31.823 0.043 0.000 0.999 118 V HN -0.286 8.184 8.190 0.033 -0.260 0.423 119 A N 6.185 129.059 122.820 0.089 0.000 2.609 119 A HA 0.563 4.932 4.320 0.082 0.000 0.291 119 A C -3.108 174.564 177.584 0.146 0.000 1.096 119 A CA -1.011 51.088 52.037 0.104 0.000 0.684 119 A CB 2.835 21.898 19.000 0.106 0.000 1.282 119 A HN 0.045 8.149 8.150 0.100 0.106 0.412 120 S N -1.800 113.971 115.700 0.119 0.000 2.693 120 S HA 0.640 5.353 4.470 0.153 -0.152 0.276 120 S C -0.594 174.057 174.600 0.085 0.000 1.192 120 S CA -1.164 57.107 58.200 0.117 0.000 0.994 120 S CB 1.602 64.852 63.200 0.084 0.000 1.012 120 S HN 0.004 8.369 8.310 0.092 0.000 0.550 121 I N 0.414 120.991 120.570 0.012 0.000 2.603 121 I HA 0.234 4.336 4.170 -0.114 0.000 0.300 121 I C -1.207 174.861 176.117 -0.082 0.000 1.017 121 I CA -1.562 59.653 61.300 -0.142 0.000 1.098 121 I CB 4.090 41.793 38.000 -0.495 0.000 1.279 121 I HN -0.025 8.205 8.210 0.034 0.000 0.437 122 S N 6.122 121.772 115.700 -0.083 0.000 2.601 122 S HA 0.245 4.699 4.470 -0.026 0.000 0.271 122 S C -0.632 173.940 174.600 -0.046 0.000 1.305 122 S CA -0.376 57.796 58.200 -0.046 0.000 1.022 122 S CB 0.837 64.016 63.200 -0.036 0.000 0.940 122 S HN 0.278 8.526 8.310 -0.103 0.000 0.525 123 L N 2.315 123.525 121.223 -0.021 0.000 2.439 123 L HA 0.159 4.499 4.340 -0.001 0.000 0.261 123 L C -1.288 175.578 176.870 -0.006 0.000 1.153 123 L CA -2.008 52.831 54.840 -0.003 0.000 0.808 123 L CB 0.120 42.185 42.059 0.011 0.000 1.126 123 L HN 0.201 8.421 8.230 -0.016 0.000 0.460 124 P HA 0.129 4.539 4.420 -0.018 0.000 0.278 124 P C -1.241 176.059 177.300 -0.001 0.000 1.258 124 P CA -0.740 62.356 63.100 -0.006 0.000 0.811 124 P CB 0.843 32.539 31.700 -0.006 0.000 1.063 128 c N 0.495 119.071 118.600 -0.041 0.000 2.500 128 c HA 0.075 4.610 4.570 -0.059 0.000 0.367 128 c C 0.027 174.058 174.090 -0.098 0.000 1.283 128 c CA -0.655 55.635 56.329 -0.064 0.000 2.456 128 c CB 0.546 43.024 42.510 -0.054 0.000 2.457 128 c HN -0.038 8.171 8.230 -0.035 0.000 0.632 129 A N 0.537 123.260 122.820 -0.162 0.000 2.264 129 A HA 0.090 4.333 4.320 -0.128 0.000 0.304 129 A C -1.062 176.416 177.584 -0.178 0.000 1.100 129 A CA -0.377 51.553 52.037 -0.179 0.000 0.839 129 A CB 1.298 20.148 19.000 -0.251 0.000 1.121 129 A HN 0.232 8.259 8.150 -0.205 0.000 0.496 133 G N 1.172 109.930 108.800 -0.071 0.000 2.320 133 G HA2 -0.319 3.607 3.960 -0.057 0.000 0.242 133 G HA3 -0.319 3.612 3.960 -0.049 0.000 0.242 133 G C 0.154 175.013 174.900 -0.068 0.000 1.033 133 G CA 0.135 45.199 45.100 -0.060 0.000 0.620 133 G HN 0.829 8.972 8.290 -0.074 0.102 0.517 134 T N 4.139 118.641 114.554 -0.087 0.000 2.928 134 T HA -0.179 4.130 4.350 -0.067 0.000 0.305 134 T C -0.991 173.659 174.700 -0.083 0.000 1.035 134 T CA 2.364 64.412 62.100 -0.087 0.000 1.145 134 T CB 0.738 69.535 68.868 -0.119 0.000 0.963 134 T HN -0.457 7.628 8.240 -0.101 0.095 0.545 135 Q N 5.776 125.542 119.800 -0.056 0.000 2.256 135 Q HA 0.204 4.631 4.340 -0.049 -0.116 0.254 135 Q C -0.857 175.122 176.000 -0.035 0.000 0.916 135 Q CA 0.159 55.940 55.803 -0.037 0.000 0.932 135 Q CB 1.464 30.197 28.738 -0.009 0.000 1.207 135 Q HN 0.197 8.439 8.270 -0.047 0.000 0.426 136 c N 3.388 121.969 118.600 -0.032 0.000 2.913 136 c HA 0.613 5.279 4.570 -0.020 -0.108 0.322 136 c C -1.823 172.273 174.090 0.011 0.000 1.292 136 c CA -1.605 54.708 56.329 -0.025 0.000 1.649 136 c CB 4.229 46.703 42.510 -0.061 0.000 2.139 136 c HN 0.872 8.970 8.230 -0.034 0.112 0.475 137 L N 0.644 121.882 121.223 0.024 0.000 2.333 137 L HA 0.963 5.541 4.340 0.057 -0.204 0.280 137 L C -2.204 174.686 176.870 0.033 0.000 1.004 137 L CA -1.406 53.464 54.840 0.049 0.000 0.820 137 L CB 3.492 45.601 42.059 0.083 0.000 1.247 137 L HN 0.682 8.815 8.230 0.017 0.108 0.416 138 I N 6.917 127.493 120.570 0.011 0.000 2.474 138 I HA 0.887 5.308 4.170 0.029 -0.234 0.294 138 I C -1.332 174.759 176.117 -0.044 0.000 1.005 138 I CA -1.604 59.700 61.300 0.007 0.000 1.113 138 I CB 2.807 40.818 38.000 0.019 0.000 1.289 138 I HN 0.934 9.152 8.210 0.012 0.000 0.436 139 S N 2.175 117.840 115.700 -0.057 0.000 2.618 139 S HA 1.053 5.557 4.470 -0.226 -0.170 0.277 139 S C -1.077 173.403 174.600 -0.199 0.000 1.138 139 S CA -1.834 56.254 58.200 -0.187 0.000 0.844 139 S CB 3.764 66.814 63.200 -0.249 0.000 1.127 139 S HN -0.203 8.106 8.310 -0.002 0.000 0.474 140 G N -1.341 107.238 108.800 -0.369 0.000 2.336 140 G HA2 0.097 3.800 3.960 -0.429 0.000 0.300 140 G HA3 0.097 4.164 3.960 -0.067 -0.147 0.300 140 G C -2.276 172.395 174.900 -0.381 0.000 1.375 140 G CA 0.476 45.384 45.100 -0.320 0.000 0.885 140 G HN 0.255 8.260 8.290 -0.474 0.000 0.599 141 W N 1.201 122.458 121.300 -0.071 0.000 2.937 141 W HA 0.375 4.991 4.660 -0.073 0.000 0.435 141 W C -0.391 176.179 176.519 0.085 0.000 0.912 141 W CA -1.036 56.239 57.345 -0.118 0.000 2.209 141 W CB -0.002 29.175 29.460 -0.471 0.000 1.144 141 W HN 0.580 8.917 8.180 0.261 0.000 0.762 142 G N 0.663 109.643 108.800 0.301 0.000 2.547 142 G HA2 0.025 4.340 3.960 0.579 0.000 0.291 142 G HA3 0.025 4.328 3.960 0.291 -0.168 0.291 142 G C -0.972 174.038 174.900 0.182 0.000 1.211 142 G CA -1.000 44.318 45.100 0.363 0.000 0.950 142 G HN -0.540 7.986 8.290 0.178 -0.128 0.504 143 N N -0.253 118.459 118.700 0.019 0.000 2.294 143 N HA -0.329 4.109 4.740 -0.815 -0.186 0.248 143 N C 0.866 176.279 175.510 -0.161 0.000 1.242 143 N CA 1.276 54.093 53.050 -0.388 0.000 0.848 143 N CB 0.624 38.884 38.487 -0.378 0.000 1.084 143 N HN 0.234 8.748 8.380 0.223 0.000 0.457 144 T N 0.204 114.652 114.554 -0.176 0.000 3.054 144 T HA 0.211 4.663 4.350 -0.054 -0.135 0.255 144 T C 0.051 174.710 174.700 -0.068 0.000 1.035 144 T CA 0.299 62.349 62.100 -0.082 0.000 0.941 144 T CB 1.380 70.214 68.868 -0.056 0.000 1.026 144 T HN 0.393 8.475 8.240 -0.262 0.000 0.533 145 K N 2.135 122.480 120.400 -0.091 0.000 2.259 145 K HA 0.277 4.576 4.320 -0.036 0.000 0.252 145 K C -0.533 176.044 176.600 -0.039 0.000 0.936 145 K CA -1.117 55.137 56.287 -0.055 0.000 0.810 145 K CB 2.672 35.136 32.500 -0.059 0.000 1.143 145 K HN -0.738 7.692 8.250 -0.144 -0.266 0.427 146 S N 0.328 116.019 115.700 -0.015 0.000 2.458 146 S HA -0.069 4.405 4.470 0.007 0.000 0.223 146 S C -0.093 174.510 174.600 0.006 0.000 1.019 146 S CA 1.668 59.870 58.200 0.003 0.000 0.937 146 S CB 0.890 64.098 63.200 0.014 0.000 0.788 146 S HN 0.101 8.404 8.310 -0.012 0.000 0.511 147 S N 1.493 117.192 115.700 -0.000 0.000 2.269 147 S HA 0.199 4.676 4.470 0.011 0.000 0.194 147 S C -0.854 173.745 174.600 -0.002 0.000 1.547 147 S CA -0.046 58.156 58.200 0.005 0.000 1.186 147 S CB -0.471 62.733 63.200 0.007 0.000 1.069 147 S HN -0.467 7.808 8.310 -0.006 0.031 0.473 148 G N 1.125 109.923 108.800 -0.004 0.000 2.355 148 G HA2 -0.176 3.789 3.960 0.009 0.000 0.619 148 G HA3 -0.176 3.779 3.960 -0.008 0.000 0.619 148 G C -2.684 172.194 174.900 -0.037 0.000 1.337 148 G CA -0.670 44.426 45.100 -0.007 0.000 0.993 148 G HN -0.409 7.881 8.290 -0.000 0.000 0.599 149 T N -3.354 111.181 114.554 -0.031 0.000 2.770 149 T HA 0.105 4.469 4.350 -0.256 -0.168 0.283 149 T C -1.342 173.274 174.700 -0.139 0.000 0.988 149 T CA -1.282 60.750 62.100 -0.112 0.000 0.957 149 T CB 1.601 70.528 68.868 0.099 0.000 0.930 149 T HN -0.154 8.088 8.240 0.004 0.000 0.443 150 S N 4.925 120.430 115.700 -0.326 0.000 2.775 150 S HA 0.241 4.697 4.470 -0.023 0.000 0.277 150 S C -2.140 172.281 174.600 -0.297 0.000 1.156 150 S CA -0.664 57.440 58.200 -0.161 0.000 1.081 150 S CB 1.135 64.279 63.200 -0.093 0.000 1.054 150 S HN 0.809 9.243 8.310 -0.524 -0.439 0.482 151 Y N 5.730 126.070 120.300 0.067 0.000 2.330 151 Y HA 0.233 4.840 4.550 0.096 0.000 0.336 151 Y C -0.919 175.031 175.900 0.084 0.000 1.036 151 Y CA -2.764 55.389 58.100 0.089 0.000 1.125 151 Y CB 1.061 39.584 38.460 0.105 0.000 1.194 151 Y HN 0.112 8.541 8.280 0.249 0.000 0.469 152 P HA 0.377 4.876 4.420 0.132 0.000 0.278 152 P C -1.527 175.903 177.300 0.216 0.000 1.266 152 P CA -0.903 62.301 63.100 0.174 0.000 0.807 152 P CB 2.066 33.839 31.700 0.122 0.000 1.094 153 D N -2.494 118.009 120.400 0.172 0.000 2.259 153 D HA -0.094 4.612 4.640 0.109 0.000 0.216 153 D C -1.198 175.253 176.300 0.252 0.000 0.961 153 D CA 1.416 55.506 54.000 0.150 0.000 0.878 153 D CB 0.903 41.760 40.800 0.094 0.000 1.009 153 D HN 0.395 8.847 8.370 0.137 0.000 0.490 154 V N -7.742 112.318 119.914 0.243 0.000 3.096 154 V HA 0.662 5.211 4.120 0.419 -0.178 0.319 154 V C -0.737 175.434 176.094 0.128 0.000 1.082 154 V CA -2.783 59.678 62.300 0.269 0.000 1.022 154 V CB 1.977 33.870 31.823 0.117 0.000 1.103 154 V HN -0.904 7.387 8.190 0.167 0.000 0.455 155 L N 1.362 122.532 121.223 -0.090 0.000 2.410 155 L HA -0.012 3.501 4.340 -1.378 0.000 0.273 155 L C -0.400 176.210 176.870 -0.434 0.000 1.152 155 L CA 0.657 55.077 54.840 -0.700 0.000 0.855 155 L CB 0.626 42.244 42.059 -0.734 0.000 1.129 155 L HN -0.075 8.385 8.230 0.101 -0.168 0.463 156 K N 5.765 125.883 120.400 -0.470 0.000 2.156 156 K HA 0.670 4.941 4.320 -0.341 -0.156 0.250 156 K C -1.165 175.177 176.600 -0.431 0.000 0.955 156 K CA -2.589 53.481 56.287 -0.361 0.000 0.855 156 K CB 2.397 34.754 32.500 -0.239 0.000 1.101 156 K HN -0.179 7.712 8.250 -0.598 0.000 0.434 157 c N -0.697 117.549 118.600 -0.590 0.000 2.707 157 c HA 0.982 5.499 4.570 -0.391 -0.183 0.313 157 c C -1.746 172.002 174.090 -0.570 0.000 1.209 157 c CA -0.753 55.188 56.329 -0.648 0.000 1.635 157 c CB 3.539 45.508 42.510 -0.903 0.000 2.206 157 c HN 0.714 8.521 8.230 -0.704 0.000 0.485 158 L N 0.341 121.435 121.223 -0.214 0.000 2.493 158 L HA 0.387 4.793 4.340 0.110 0.000 0.265 158 L C -2.468 174.476 176.870 0.124 0.000 0.954 158 L CA 0.057 54.914 54.840 0.027 0.000 0.844 158 L CB 4.488 46.576 42.059 0.048 0.000 1.302 158 L HN 0.874 9.006 8.230 -0.163 0.000 0.405 159 K N 6.140 126.673 120.400 0.222 0.000 2.211 159 K HA 0.820 5.430 4.320 0.129 -0.212 0.275 159 K C -0.971 175.757 176.600 0.214 0.000 1.024 159 K CA -1.301 55.095 56.287 0.183 0.000 0.887 159 K CB 1.014 33.625 32.500 0.184 0.000 1.084 159 K HN 0.337 8.754 8.250 0.278 0.000 0.463 160 A N 4.449 127.331 122.820 0.103 0.000 2.515 160 A HA 0.676 4.998 4.320 0.003 0.000 0.298 160 A C -3.357 174.159 177.584 -0.114 0.000 1.059 160 A CA -2.793 49.237 52.037 -0.011 0.000 0.698 160 A CB 3.138 22.133 19.000 -0.009 0.000 1.289 160 A HN 0.960 9.034 8.150 0.051 0.107 0.404 161 P HA 0.716 5.280 4.420 -0.112 -0.211 0.284 161 P C -1.053 176.168 177.300 -0.132 0.000 1.258 161 P CA -1.415 61.589 63.100 -0.160 0.000 0.824 161 P CB 1.446 33.049 31.700 -0.162 0.000 1.038 162 I N 0.465 120.972 120.570 -0.105 0.000 2.529 162 I HA -0.024 4.282 4.170 0.037 -0.113 0.284 162 I C -0.008 176.084 176.117 -0.041 0.000 1.082 162 I CA 0.421 61.681 61.300 -0.067 0.000 1.406 162 I CB 0.443 38.312 38.000 -0.218 0.000 1.405 162 I HN 0.073 8.212 8.210 -0.118 0.000 0.548 163 L N 6.350 127.588 121.223 0.024 0.000 2.431 163 L HA 0.292 4.619 4.340 -0.021 0.000 0.260 163 L C -0.147 176.737 176.870 0.023 0.000 1.098 163 L CA -1.111 53.736 54.840 0.011 0.000 0.800 163 L CB 0.781 42.859 42.059 0.031 0.000 1.210 163 L HN 0.363 8.544 8.230 0.103 0.111 0.465 164 S N -1.668 114.039 115.700 0.013 0.000 2.593 164 S HA -0.093 4.381 4.470 0.006 0.000 0.269 164 S C 0.377 175.001 174.600 0.039 0.000 1.334 164 S CA -0.878 57.331 58.200 0.015 0.000 1.015 164 S CB 1.719 64.923 63.200 0.007 0.000 0.912 164 S HN -0.029 8.284 8.310 0.005 0.000 0.541 165 D N 1.410 121.833 120.400 0.039 0.000 2.144 165 D HA -0.225 4.463 4.640 0.080 0.000 0.200 165 D C 1.710 178.041 176.300 0.051 0.000 0.978 165 D CA 3.249 57.284 54.000 0.057 0.000 0.833 165 D CB -0.237 40.593 40.800 0.049 0.000 0.961 165 D HN 0.549 8.935 8.370 0.026 0.000 0.470 166 S N -1.131 114.590 115.700 0.035 0.000 2.368 166 S HA -0.313 4.177 4.470 0.034 0.000 0.225 166 S C 2.244 176.861 174.600 0.029 0.000 1.030 166 S CA 3.637 61.855 58.200 0.030 0.000 0.999 166 S CB -0.287 62.925 63.200 0.018 0.000 0.844 166 S HN 0.050 8.376 8.310 0.027 0.000 0.459 167 S N 3.625 119.339 115.700 0.025 0.000 2.382 167 S HA -0.276 4.197 4.470 0.005 0.000 0.228 167 S C 1.832 176.448 174.600 0.027 0.000 1.027 167 S CA 3.769 61.979 58.200 0.016 0.000 0.991 167 S CB -0.166 63.041 63.200 0.012 0.000 0.823 167 S HN -0.537 7.788 8.310 0.024 0.000 0.469 168 c N 3.256 121.892 118.600 0.060 0.000 2.436 168 c HA -0.320 4.318 4.570 0.114 0.000 0.277 168 c C 1.766 175.933 174.090 0.129 0.000 1.241 168 c CA 2.764 59.159 56.329 0.109 0.000 1.721 168 c CB -1.721 40.867 42.510 0.130 0.000 2.043 168 c HN -0.109 8.080 8.230 0.060 0.077 0.472 169 K N -1.043 119.419 120.400 0.103 0.000 2.148 169 K HA -0.319 4.091 4.320 0.150 0.000 0.204 169 K C 2.444 179.084 176.600 0.067 0.000 1.050 169 K CA 2.931 59.280 56.287 0.104 0.000 0.942 169 K CB -0.262 32.286 32.500 0.080 0.000 0.724 169 K HN 0.116 8.418 8.250 0.086 0.000 0.446 170 S N -2.137 113.581 115.700 0.031 0.000 2.428 170 S HA -0.184 4.292 4.470 0.010 0.000 0.230 170 S C 0.848 175.420 174.600 -0.047 0.000 1.014 170 S CA 2.435 60.635 58.200 0.000 0.000 0.957 170 S CB -0.058 63.138 63.200 -0.007 0.000 0.784 170 S HN 0.001 8.223 8.310 0.032 0.107 0.499 171 A N -0.632 122.129 122.820 -0.097 0.000 1.975 171 A HA -0.044 4.123 4.320 -0.255 0.000 0.215 171 A C -0.255 177.047 177.584 -0.470 0.000 1.170 171 A CA 1.682 53.527 52.037 -0.320 0.000 0.656 171 A CB 0.891 19.614 19.000 -0.462 0.000 0.821 171 A HN -0.841 7.141 8.150 -0.045 0.140 0.449 172 Y N -5.242 115.099 120.300 0.069 0.000 2.495 172 Y HA 0.481 5.109 4.550 0.131 0.000 0.362 172 Y C -2.453 173.511 175.900 0.106 0.000 0.956 172 Y CA -3.793 54.383 58.100 0.125 0.000 1.127 172 Y CB -0.308 38.275 38.460 0.205 0.000 1.173 172 Y HN -0.471 7.834 8.280 0.041 0.000 0.639 173 P HA -0.077 4.523 4.420 0.109 -0.115 0.264 173 P C 0.827 178.198 177.300 0.118 0.000 1.193 173 P CA 1.096 64.263 63.100 0.112 0.000 0.763 173 P CB 0.071 31.808 31.700 0.063 0.000 0.810 174 G N 4.138 112.999 108.800 0.102 0.000 2.184 174 G HA2 -0.358 3.639 3.960 0.062 0.000 0.264 174 G HA3 -0.358 3.637 3.960 0.058 0.000 0.264 174 G C 0.149 175.102 174.900 0.087 0.000 0.975 174 G CA 0.555 45.701 45.100 0.076 0.000 0.642 174 G HN 0.504 8.853 8.290 0.098 0.000 0.536 175 Q N -2.137 117.754 119.800 0.151 0.000 2.217 175 Q HA 0.092 4.468 4.340 0.059 0.000 0.217 175 Q C -0.602 175.531 176.000 0.222 0.000 0.844 175 Q CA -0.471 55.423 55.803 0.152 0.000 0.957 175 Q CB 1.394 30.247 28.738 0.192 0.000 1.127 175 Q HN -0.226 8.091 8.270 0.197 0.071 0.503 176 I N 0.238 120.932 120.570 0.207 0.000 2.336 176 I HA 0.041 4.353 4.170 0.238 0.000 0.292 176 I C -0.179 176.014 176.117 0.128 0.000 0.991 176 I CA -2.017 59.397 61.300 0.191 0.000 1.227 176 I CB -0.618 37.488 38.000 0.177 0.000 1.366 176 I HN -0.468 7.851 8.210 0.182 0.000 0.466 177 T N 2.532 117.158 114.554 0.120 0.000 2.910 177 T HA 0.335 4.725 4.350 0.066 0.000 0.279 177 T C 0.672 175.422 174.700 0.084 0.000 0.989 177 T CA -2.041 60.108 62.100 0.082 0.000 0.968 177 T CB 2.278 71.186 68.868 0.068 0.000 1.135 177 T HN -0.396 7.931 8.240 0.145 0.000 0.562 178 S N -2.505 113.230 115.700 0.059 0.000 2.603 178 S HA -0.170 4.340 4.470 0.067 0.000 0.229 178 S C -0.116 174.525 174.600 0.068 0.000 0.972 178 S CA 1.613 59.845 58.200 0.054 0.000 0.935 178 S CB -0.179 63.033 63.200 0.020 0.000 0.769 178 S HN 0.235 8.570 8.310 0.042 0.000 0.536 179 N N 0.242 118.996 118.700 0.090 0.000 2.273 179 N HA 0.143 4.957 4.740 0.123 0.000 0.231 179 N C -1.818 173.809 175.510 0.194 0.000 1.134 179 N CA -0.493 52.645 53.050 0.146 0.000 0.856 179 N CB 0.916 39.517 38.487 0.189 0.000 1.068 179 N HN -0.604 7.739 8.380 0.088 0.090 0.510 180 M N -1.062 118.637 119.600 0.165 0.000 2.593 180 M HA 0.903 5.657 4.480 0.061 -0.238 0.290 180 M C -2.439 173.970 176.300 0.181 0.000 1.244 180 M CA -0.424 54.943 55.300 0.112 0.000 0.857 180 M CB 5.221 37.869 32.600 0.080 0.000 1.738 180 M HN -0.808 7.480 8.290 0.150 0.092 0.461 181 F N -6.171 113.823 119.950 0.073 0.000 2.668 181 F HA 0.611 5.169 4.527 0.051 0.000 0.309 181 F C -2.799 173.054 175.800 0.089 0.000 1.117 181 F CA -1.539 56.501 58.000 0.067 0.000 0.951 181 F CB 2.343 41.378 39.000 0.058 0.000 1.323 181 F HN 0.100 8.248 8.300 -0.254 0.000 0.451 182 c N 0.061 118.840 118.600 0.299 0.000 2.391 182 c HA 1.027 5.875 4.570 0.108 -0.214 0.339 182 c C -1.011 173.285 174.090 0.344 0.000 1.205 182 c CA -1.017 55.440 56.329 0.213 0.000 1.937 182 c CB 2.756 45.353 42.510 0.145 0.000 2.341 182 c HN 0.907 9.339 8.230 0.336 0.000 0.516 183 A N 2.796 125.795 122.820 0.299 0.000 2.530 183 A HA 0.657 5.173 4.320 0.083 -0.146 0.279 183 A C -2.205 175.434 177.584 0.091 0.000 1.109 183 A CA -0.301 51.824 52.037 0.147 0.000 0.763 183 A CB 2.630 21.640 19.000 0.017 0.000 1.257 183 A HN 0.515 8.871 8.150 0.344 0.000 0.424 184 Y N 3.045 123.381 120.300 0.060 0.000 2.404 184 Y HA 0.072 4.644 4.550 0.036 0.000 0.344 184 Y C 0.972 176.891 175.900 0.032 0.000 0.995 184 Y CA -0.162 57.963 58.100 0.041 0.000 1.201 184 Y CB 0.494 38.975 38.460 0.036 0.000 1.151 184 Y HN 0.359 8.775 8.280 0.227 0.000 0.517 185 L N 4.068 125.363 121.223 0.121 0.000 2.275 185 L HA -0.327 4.045 4.340 0.055 0.000 0.215 185 L C 1.077 177.994 176.870 0.078 0.000 1.119 185 L CA 2.246 57.128 54.840 0.071 0.000 0.790 185 L CB -0.435 41.645 42.059 0.035 0.000 0.919 185 L HN 0.528 8.811 8.230 0.089 0.000 0.443 186 E N -2.267 117.999 120.200 0.110 0.000 2.482 186 E HA -0.114 4.266 4.350 0.050 0.000 0.196 186 E C 0.756 177.393 176.600 0.062 0.000 1.047 186 E CA 0.118 56.561 56.400 0.072 0.000 0.869 186 E CB -0.559 29.180 29.700 0.065 0.000 0.836 186 E HN 0.074 8.492 8.360 0.160 0.038 0.520 187 G N 0.825 109.679 108.800 0.090 0.000 3.405 187 G HA2 -0.389 3.656 3.960 0.087 0.000 0.676 187 G HA3 -0.389 3.599 3.960 0.047 0.000 0.676 187 G C -0.807 174.117 174.900 0.040 0.000 1.039 187 G CA -0.134 45.007 45.100 0.068 0.000 0.855 187 G HN -0.511 7.685 8.290 0.134 0.175 0.443 188 K N 1.327 121.728 120.400 0.002 0.000 7.012 188 K HA -0.610 3.864 4.320 0.015 -0.144 0.677 188 K C -1.304 175.394 176.600 0.164 0.000 2.516 188 K CA 0.504 56.808 56.287 0.030 0.000 1.841 188 K CB -0.132 32.289 32.500 -0.132 0.000 1.900 188 K HN 0.220 8.496 8.250 0.042 0.000 0.293 189 D N 0.495 120.975 120.400 0.133 0.000 2.764 189 D HA 0.304 5.070 4.640 0.209 0.000 0.293 189 D C -1.944 174.428 176.300 0.120 0.000 1.287 189 D CA -0.589 53.504 54.000 0.155 0.000 0.768 189 D CB 4.331 45.205 40.800 0.123 0.000 1.288 189 D HN 0.233 8.657 8.370 0.089 0.000 0.426 190 S N -1.709 114.073 115.700 0.138 0.000 2.707 190 S HA 0.366 4.957 4.470 0.094 -0.065 0.276 190 S C -1.363 173.285 174.600 0.080 0.000 1.179 190 S CA -0.624 57.646 58.200 0.116 0.000 0.992 190 S CB 1.820 65.126 63.200 0.177 0.000 1.030 190 S HN 0.276 8.685 8.310 0.164 0.000 0.554 191 c N -1.341 117.311 118.600 0.086 0.000 3.292 191 c HA 0.357 4.972 4.570 0.075 0.000 0.369 191 c C -1.325 172.846 174.090 0.137 0.000 1.664 191 c CA -0.946 55.435 56.329 0.087 0.000 1.204 191 c CB 2.919 45.462 42.510 0.056 0.000 1.978 191 c HN 0.314 8.900 8.230 0.101 -0.296 0.435 192 Q N 1.224 121.119 119.800 0.157 0.000 2.330 192 Q HA -0.191 4.281 4.340 0.221 0.000 0.279 192 Q C 0.623 176.819 176.000 0.327 0.000 1.024 192 Q CA 1.111 57.052 55.803 0.231 0.000 0.900 192 Q CB -0.084 28.794 28.738 0.234 0.000 1.221 192 Q HN 0.432 8.777 8.270 0.126 0.000 0.396 193 G N 4.519 113.512 108.800 0.322 0.000 2.259 193 G HA2 -0.420 3.729 3.960 0.315 0.000 0.217 193 G HA3 -0.420 3.859 3.960 0.532 0.000 0.217 193 G C 0.418 175.547 174.900 0.382 0.000 1.001 193 G CA 0.986 46.325 45.100 0.399 0.000 0.627 193 G HN 0.818 9.273 8.290 0.275 0.000 0.501 194 D N 1.914 122.476 120.400 0.271 0.000 2.327 194 D HA 0.091 4.872 4.640 0.236 0.000 0.205 194 D C 0.223 176.621 176.300 0.164 0.000 0.989 194 D CA 1.009 55.133 54.000 0.207 0.000 0.873 194 D CB 0.647 41.536 40.800 0.150 0.000 0.955 194 D HN -0.031 8.384 8.370 0.247 0.103 0.515 195 S N -0.328 115.468 115.700 0.159 0.000 2.571 195 S HA -0.612 4.071 4.470 0.121 -0.140 0.298 195 S C 0.966 175.571 174.600 0.009 0.000 1.280 195 S CA 2.526 60.787 58.200 0.103 0.000 1.052 195 S CB 0.135 63.419 63.200 0.139 0.000 0.799 195 S HN -0.532 7.853 8.310 0.195 0.042 0.501 196 G N 4.493 113.280 108.800 -0.023 0.000 2.284 196 G HA2 -0.462 3.549 3.960 -0.050 0.000 0.247 196 G HA3 -0.462 3.574 3.960 -0.065 -0.115 0.247 196 G C -0.182 174.746 174.900 0.047 0.000 1.012 196 G CA 0.227 45.310 45.100 -0.029 0.000 0.618 196 G HN 0.875 9.062 8.290 -0.000 0.102 0.521 197 G N 0.906 109.758 108.800 0.088 0.000 2.621 197 G HA2 0.376 4.475 3.960 0.119 0.000 0.271 197 G HA3 0.376 4.407 3.960 0.119 0.000 0.271 197 G C -2.764 172.217 174.900 0.135 0.000 1.236 197 G CA -1.798 43.373 45.100 0.117 0.000 0.958 197 G HN -0.193 7.976 8.290 0.094 0.177 0.512 198 P HA 0.431 5.058 4.420 0.131 -0.128 0.284 198 P C -1.617 175.753 177.300 0.116 0.000 1.258 198 P CA -1.135 62.056 63.100 0.152 0.000 0.824 198 P CB 1.700 33.547 31.700 0.244 0.000 1.038 199 V N 2.347 122.309 119.914 0.080 0.000 2.419 199 V HA 0.277 4.557 4.120 -0.001 -0.161 0.287 199 V C -1.322 174.784 176.094 0.019 0.000 1.017 199 V CA -0.430 61.881 62.300 0.019 0.000 0.844 199 V CB 1.695 33.508 31.823 -0.017 0.000 1.011 199 V HN -0.209 8.033 8.190 0.086 0.000 0.429 200 V N 8.022 127.939 119.914 0.004 0.000 2.459 200 V HA 0.672 4.952 4.120 -0.069 -0.201 0.295 200 V C -1.306 174.768 176.094 -0.033 0.000 1.029 200 V CA -1.318 60.955 62.300 -0.045 0.000 0.874 200 V CB 2.877 34.650 31.823 -0.083 0.000 0.985 200 V HN 0.607 8.813 8.190 0.028 0.000 0.438 201 c N 7.120 125.687 118.600 -0.054 0.000 2.482 201 c HA 0.583 5.130 4.570 -0.039 0.000 0.317 201 c C 0.231 174.290 174.090 -0.051 0.000 1.197 201 c CA -1.283 55.013 56.329 -0.055 0.000 1.432 201 c CB 2.650 45.108 42.510 -0.087 0.000 2.062 201 c HN 0.785 8.976 8.230 -0.066 0.000 0.471 202 S N 4.023 119.701 115.700 -0.036 0.000 3.521 202 S HA -0.451 4.007 4.470 -0.020 0.000 0.362 202 S C 0.464 175.044 174.600 -0.033 0.000 1.044 202 S CA 1.117 59.299 58.200 -0.030 0.000 1.091 202 S CB -2.032 61.146 63.200 -0.037 0.000 0.908 202 S HN 1.205 9.497 8.310 -0.029 0.000 0.473 203 G N -4.978 103.801 108.800 -0.035 0.000 2.153 203 G HA2 -0.516 3.413 3.960 -0.052 0.000 0.252 203 G HA3 -0.516 3.424 3.960 -0.033 0.000 0.252 203 G C -1.247 173.603 174.900 -0.083 0.000 0.994 203 G CA 0.379 45.449 45.100 -0.050 0.000 0.698 203 G HN 0.351 8.607 8.290 -0.028 0.017 0.521 210 Q N 1.166 120.983 119.800 0.029 0.000 2.392 210 Q HA 0.200 4.576 4.340 0.062 0.000 0.219 210 Q C -0.197 175.962 176.000 0.265 0.000 0.895 210 Q CA 0.133 55.977 55.803 0.068 0.000 0.929 210 Q CB 2.658 31.358 28.738 -0.063 0.000 1.077 210 Q HN 0.402 8.678 8.270 0.010 0.000 0.532 211 G N -3.153 105.816 108.800 0.281 0.000 2.694 211 G HA2 0.626 5.067 3.960 0.399 0.000 0.290 211 G HA3 0.626 4.844 3.960 0.429 0.000 0.290 211 G C -3.253 171.765 174.900 0.197 0.000 1.386 211 G CA -0.669 44.639 45.100 0.347 0.000 0.872 211 G HN -0.336 8.055 8.290 0.169 0.000 0.475 212 I N -1.435 119.243 120.570 0.180 0.000 2.498 212 I HA 0.589 5.071 4.170 0.153 -0.220 0.290 212 I C -0.456 175.780 176.117 0.199 0.000 1.032 212 I CA -1.447 59.944 61.300 0.150 0.000 1.073 212 I CB 4.388 42.435 38.000 0.078 0.000 1.251 212 I HN -0.351 8.029 8.210 0.155 -0.077 0.426 213 V N 7.095 127.139 119.914 0.217 0.000 2.493 213 V HA -0.206 3.966 4.120 0.086 0.000 0.292 213 V C -1.199 174.907 176.094 0.020 0.000 1.016 213 V CA 2.068 64.447 62.300 0.131 0.000 1.097 213 V CB -1.085 30.837 31.823 0.165 0.000 0.947 213 V HN 0.474 8.777 8.190 0.189 0.000 0.479 214 S N 7.692 123.311 115.700 -0.136 0.000 3.142 214 S HA 0.363 5.019 4.470 0.310 0.000 0.223 214 S C -1.452 173.262 174.600 0.191 0.000 0.939 214 S CA 1.094 59.364 58.200 0.117 0.000 0.826 214 S CB 2.399 65.659 63.200 0.100 0.000 0.823 214 S HN -0.122 7.894 8.310 -0.490 0.000 0.612 215 W N -4.799 116.354 121.300 -0.245 0.000 2.940 215 W HA 0.256 4.820 4.660 -0.161 0.000 0.394 215 W C -2.797 173.551 176.519 -0.285 0.000 1.155 215 W CA -0.781 56.426 57.345 -0.230 0.000 1.165 215 W CB 1.324 30.643 29.460 -0.236 0.000 1.492 215 W HN -0.235 7.612 8.180 -0.556 0.000 0.593 216 G N -3.223 105.636 108.800 0.099 0.000 2.356 216 G HA2 0.075 3.748 3.960 -0.478 0.000 0.294 216 G HA3 0.075 3.966 3.960 -0.115 0.000 0.294 216 G C -2.350 172.685 174.900 0.226 0.000 1.423 216 G CA 0.267 45.320 45.100 -0.079 0.000 0.806 216 G HN -0.053 8.486 8.290 0.415 0.000 0.527 220 c N 1.922 120.560 118.600 0.064 0.000 3.465 220 c HA 0.321 5.078 4.570 0.065 -0.147 0.193 220 c C -1.417 172.706 174.090 0.055 0.000 1.515 220 c CA -1.007 55.357 56.329 0.058 0.000 1.340 220 c CB -1.464 41.073 42.510 0.045 0.000 1.928 220 c HN 0.327 8.591 8.230 0.056 0.000 0.510 221 Q N -1.580 118.256 119.800 0.061 0.000 2.889 221 Q HA 0.127 4.491 4.340 0.039 0.000 0.262 221 Q C -1.345 174.682 176.000 0.045 0.000 0.966 221 Q CA -0.707 55.124 55.803 0.048 0.000 0.858 221 Q CB 2.121 30.889 28.738 0.050 0.000 1.845 221 Q HN 0.041 8.354 8.270 0.071 0.000 0.464 222 K N 3.612 124.031 120.400 0.031 0.000 2.382 222 K HA -0.215 4.322 4.320 0.039 -0.193 0.275 222 K C 0.198 176.801 176.600 0.005 0.000 1.009 222 K CA 0.581 56.883 56.287 0.025 0.000 0.970 222 K CB 0.082 32.593 32.500 0.018 0.000 0.934 222 K HN 0.240 8.506 8.250 0.027 0.000 0.479 223 N N 1.848 120.548 118.700 -0.001 0.000 2.815 223 N HA -0.472 4.247 4.740 -0.035 0.000 0.247 223 N C -1.550 173.897 175.510 -0.105 0.000 1.030 223 N CA 1.868 54.891 53.050 -0.045 0.000 0.881 223 N CB -0.379 38.075 38.487 -0.055 0.000 1.134 223 N HN 0.774 9.041 8.380 0.019 0.124 0.582 224 K N -1.669 118.702 120.400 -0.048 0.000 2.606 224 K HA 0.532 4.689 4.320 -0.272 0.000 0.196 224 K C -2.256 174.405 176.600 0.103 0.000 1.048 224 K CA -3.507 52.757 56.287 -0.038 0.000 1.017 224 K CB -0.286 32.249 32.500 0.058 0.000 1.413 224 K HN -0.731 7.447 8.250 0.003 0.074 0.568 225 P HA -0.084 4.405 4.420 0.115 0.000 0.272 225 P C -0.536 176.822 177.300 0.097 0.000 1.254 225 P CA -0.342 62.834 63.100 0.128 0.000 0.795 225 P CB 1.106 32.871 31.700 0.108 0.000 1.022 226 G N -2.592 106.231 108.800 0.039 0.000 2.476 226 G HA2 0.383 4.138 3.960 -0.342 0.000 0.269 226 G HA3 0.383 4.234 3.960 -0.181 0.000 0.269 226 G C -1.857 172.746 174.900 -0.496 0.000 1.195 226 G CA -0.873 44.076 45.100 -0.252 0.000 0.843 226 G HN -0.376 7.998 8.290 0.140 0.000 0.545 227 V N 1.987 121.255 119.914 -1.078 0.000 2.495 227 V HA 0.654 4.553 4.120 -0.658 -0.174 0.298 227 V C -1.003 174.324 176.094 -1.278 0.000 1.031 227 V CA -1.041 60.586 62.300 -1.122 0.000 0.871 227 V CB 2.318 33.010 31.823 -1.885 0.000 0.988 227 V HN 0.457 7.957 8.190 -1.150 0.000 0.432 228 Y N 4.916 124.791 120.300 -0.708 0.000 2.536 228 Y HA 0.615 5.071 4.550 -0.397 -0.144 0.347 228 Y C 0.207 175.794 175.900 -0.521 0.000 1.000 228 Y CA -2.292 55.402 58.100 -0.678 0.000 1.051 228 Y CB 3.924 41.716 38.460 -1.113 0.000 1.259 228 Y HN 1.001 8.911 8.280 -0.617 0.000 0.468 229 T N 4.532 119.034 114.554 -0.087 0.000 2.851 229 T HA 0.054 4.616 4.350 0.079 -0.164 0.298 229 T C -0.717 174.092 174.700 0.183 0.000 0.977 229 T CA 1.341 63.474 62.100 0.055 0.000 1.126 229 T CB 0.586 69.474 68.868 0.035 0.000 0.916 229 T HN 0.472 8.696 8.240 -0.026 0.000 0.529 230 K N 8.127 128.726 120.400 0.332 0.000 2.183 230 K HA 0.115 4.857 4.320 0.704 0.000 0.272 230 K C 1.020 177.875 176.600 0.425 0.000 1.113 230 K CA -0.597 55.977 56.287 0.480 0.000 0.949 230 K CB -0.286 32.455 32.500 0.400 0.000 1.365 230 K HN 0.128 8.455 8.250 0.305 0.106 0.420 231 V N 6.222 126.364 119.914 0.379 0.000 2.392 231 V HA -0.529 3.872 4.120 0.470 0.000 0.249 231 V C 1.394 177.656 176.094 0.280 0.000 1.059 231 V CA 3.899 66.407 62.300 0.348 0.000 1.051 231 V CB -0.288 31.669 31.823 0.223 0.000 0.658 231 V HN 0.227 8.651 8.190 0.391 0.000 0.455 232 c N -3.628 115.075 118.600 0.172 0.000 2.409 232 c HA -0.218 4.401 4.570 0.082 0.000 0.284 232 c C 1.468 175.587 174.090 0.049 0.000 1.354 232 c CA 1.665 58.046 56.329 0.087 0.000 1.787 232 c CB -2.061 40.470 42.510 0.035 0.000 1.900 232 c HN 0.497 8.811 8.230 0.170 0.018 0.520 233 N N 0.580 119.287 118.700 0.011 0.000 2.463 233 N HA -0.061 4.592 4.740 -0.143 0.000 0.181 233 N C 0.285 175.577 175.510 -0.363 0.000 1.078 233 N CA 1.116 54.033 53.050 -0.222 0.000 0.902 233 N CB -0.094 38.129 38.487 -0.440 0.000 0.970 233 N HN -0.408 7.986 8.380 0.098 0.046 0.451 234 Y N -4.116 116.256 120.300 0.120 0.000 2.500 234 Y HA 0.159 4.850 4.550 0.235 0.000 0.246 234 Y C 0.357 176.398 175.900 0.235 0.000 1.146 234 Y CA -0.165 58.064 58.100 0.215 0.000 1.230 234 Y CB 0.218 38.825 38.460 0.246 0.000 1.214 234 Y HN -0.141 8.088 8.280 0.231 0.190 0.526 235 V N 1.502 121.561 119.914 0.243 0.000 2.332 235 V HA -0.587 3.628 4.120 0.157 0.000 0.248 235 V C 1.393 177.559 176.094 0.119 0.000 1.055 235 V CA 5.117 67.509 62.300 0.154 0.000 1.038 235 V CB -0.877 30.998 31.823 0.087 0.000 0.651 235 V HN -0.433 7.865 8.190 0.180 0.000 0.450 236 S N -0.333 115.439 115.700 0.121 0.000 2.383 236 S HA -0.323 4.168 4.470 0.036 0.000 0.227 236 S C 1.895 176.565 174.600 0.116 0.000 1.026 236 S CA 2.869 61.121 58.200 0.086 0.000 0.981 236 S CB -0.424 62.823 63.200 0.079 0.000 0.818 236 S HN 0.141 8.522 8.310 0.119 0.000 0.472 237 W N 4.417 125.756 121.300 0.065 0.000 2.355 237 W HA -0.177 4.512 4.660 0.048 0.000 0.309 237 W C 1.750 178.285 176.519 0.027 0.000 1.206 237 W CA 2.986 60.381 57.345 0.083 0.000 1.284 237 W CB -0.105 29.493 29.460 0.229 0.000 1.145 237 W HN -0.403 7.993 8.180 0.379 0.011 0.502 238 I N -0.723 119.829 120.570 -0.029 0.000 2.127 238 I HA -0.778 2.948 4.170 -0.739 0.000 0.241 238 I C 1.802 177.673 176.117 -0.410 0.000 1.075 238 I CA 4.576 65.671 61.300 -0.342 0.000 1.334 238 I CB -0.324 37.647 38.000 -0.048 0.000 1.040 238 I HN 0.415 8.824 8.210 0.332 0.000 0.405 239 K N -1.004 119.263 120.400 -0.223 0.000 2.032 239 K HA -0.446 3.727 4.320 -0.244 0.000 0.209 239 K C 2.803 179.254 176.600 -0.249 0.000 1.048 239 K CA 3.806 59.967 56.287 -0.210 0.000 0.927 239 K CB -0.376 32.062 32.500 -0.103 0.000 0.712 239 K HN -0.189 7.997 8.250 -0.106 0.000 0.441 240 Q N -2.249 117.416 119.800 -0.225 0.000 2.079 240 Q HA -0.288 3.960 4.340 -0.153 0.000 0.200 240 Q C 2.688 178.504 176.000 -0.307 0.000 0.974 240 Q CA 3.331 59.011 55.803 -0.205 0.000 0.840 240 Q CB 0.050 28.717 28.738 -0.119 0.000 0.898 240 Q HN 0.233 8.286 8.270 -0.181 0.108 0.430 241 T N 2.772 117.016 114.554 -0.518 0.000 2.708 241 T HA -0.268 3.847 4.350 -0.392 0.000 0.266 241 T C 2.353 176.731 174.700 -0.536 0.000 1.037 241 T CA 4.928 66.683 62.100 -0.576 0.000 1.146 241 T CB -0.149 68.109 68.868 -1.016 0.000 0.865 241 T HN 0.110 7.863 8.240 -0.634 0.107 0.435 242 I N 1.130 121.268 120.570 -0.719 0.000 2.226 242 I HA -0.485 2.941 4.170 -1.239 0.000 0.245 242 I C 1.748 177.647 176.117 -0.363 0.000 1.100 242 I CA 3.852 64.627 61.300 -0.874 0.000 1.374 242 I CB -0.429 36.966 38.000 -1.008 0.000 1.057 242 I HN 0.224 8.002 8.210 -0.720 0.000 0.413 243 A N -0.772 121.881 122.820 -0.279 0.000 1.978 243 A HA -0.209 4.049 4.320 -0.102 0.000 0.220 243 A C 0.939 178.472 177.584 -0.084 0.000 1.170 243 A CA 2.905 54.858 52.037 -0.139 0.000 0.636 243 A CB -0.516 18.412 19.000 -0.121 0.000 0.810 243 A HN -0.029 7.923 8.150 -0.330 0.000 0.448 244 S N -4.299 111.340 115.700 -0.102 0.000 2.572 244 S HA 0.168 4.625 4.470 -0.022 0.000 0.228 244 S C -0.694 173.912 174.600 0.010 0.000 0.963 244 S CA 0.340 58.515 58.200 -0.041 0.000 0.939 244 S CB 0.972 64.141 63.200 -0.051 0.000 0.804 244 S HN -0.411 7.666 8.310 -0.168 0.132 0.480 245 N N 0.000 118.734 118.700 0.056 0.000 1.763 245 N HA 0.000 4.813 4.740 0.122 0.000 0.220 245 N CA 0.000 53.158 53.050 0.179 0.000 0.885 245 N CB 0.000 38.661 38.487 0.290 0.000 1.341 245 N HN 0.000 8.225 8.380 0.020 0.167 0.667