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 1gi5_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 4.193 4.170 0.038 0.000 0.288 16 I C 0.000 176.115 176.117 -0.003 0.000 1.063 16 I CA 0.000 61.305 61.300 0.008 0.000 1.566 16 I CB 0.000 37.970 38.000 -0.050 0.000 1.214 17 V N 6.310 126.231 119.914 0.013 0.000 2.472 17 V HA 0.198 4.451 4.120 -0.012 -0.140 0.290 17 V C 0.657 176.751 176.094 -0.001 0.000 1.037 17 V CA -1.420 60.881 62.300 0.001 0.000 0.908 17 V CB 1.084 32.914 31.823 0.012 0.000 0.985 17 V HN 0.872 8.976 8.190 0.035 0.107 0.454 18 G N 6.510 115.303 108.800 -0.012 0.000 2.160 18 G HA2 -0.405 3.544 3.960 -0.018 0.000 0.251 18 G HA3 -0.405 3.669 3.960 -0.040 -0.138 0.251 18 G C -0.593 174.306 174.900 -0.001 0.000 1.008 18 G CA 0.499 45.587 45.100 -0.020 0.000 0.724 18 G HN 0.818 9.101 8.290 -0.013 0.000 0.514 19 G N -0.810 107.988 108.800 -0.004 0.000 2.606 19 G HA2 0.489 4.464 3.960 0.045 0.000 0.262 19 G HA3 0.489 4.455 3.960 -0.114 -0.075 0.262 19 G C -1.716 173.210 174.900 0.044 0.000 1.394 19 G CA -0.969 44.120 45.100 -0.019 0.000 1.044 19 G HN -0.704 7.538 8.290 -0.018 0.038 0.553 20 Y N -6.169 114.113 120.300 -0.031 0.000 2.609 20 Y HA 0.371 4.906 4.550 -0.027 0.000 0.342 20 Y C -1.811 174.066 175.900 -0.039 0.000 1.058 20 Y CA -2.721 55.360 58.100 -0.030 0.000 1.055 20 Y CB 1.256 39.700 38.460 -0.026 0.000 1.292 20 Y HN 0.398 8.186 8.280 -0.644 0.106 0.476 21 T N 2.427 117.040 114.554 0.098 0.000 2.853 21 T HA 0.059 4.490 4.350 -0.079 -0.129 0.298 21 T C 0.193 174.921 174.700 0.047 0.000 0.978 21 T CA 1.173 63.281 62.100 0.013 0.000 1.152 21 T CB -0.062 68.838 68.868 0.052 0.000 0.914 21 T HN 0.024 8.366 8.240 0.170 0.000 0.539 22 c N 5.766 124.308 118.600 -0.097 0.000 2.440 22 c HA -0.065 4.537 4.570 0.054 0.000 0.278 22 c C 0.200 174.311 174.090 0.035 0.000 1.295 22 c CA 0.549 56.853 56.329 -0.043 0.000 1.738 22 c CB 0.265 42.679 42.510 -0.160 0.000 1.987 22 c HN -0.022 8.103 8.230 -0.175 0.000 0.492 23 G N -1.750 107.055 108.800 0.007 0.000 2.885 23 G HA2 -0.180 3.796 3.960 0.027 0.000 0.685 23 G HA3 -0.180 3.798 3.960 0.031 0.000 0.685 23 G C -1.872 173.029 174.900 0.002 0.000 1.216 23 G CA -0.783 44.329 45.100 0.020 0.000 0.790 23 G HN -0.362 7.917 8.290 -0.019 0.000 0.631 24 A N 3.487 126.316 122.820 0.014 0.000 2.546 24 A HA -0.209 4.314 4.320 0.025 -0.189 0.243 24 A C -0.242 177.345 177.584 0.005 0.000 1.063 24 A CA 0.985 53.032 52.037 0.018 0.000 0.757 24 A CB 0.141 19.159 19.000 0.030 0.000 0.991 24 A HN 0.319 8.482 8.150 0.021 0.000 0.503 25 N N -2.893 115.807 118.700 -0.000 0.000 2.708 25 N HA -0.383 4.344 4.740 -0.023 0.000 0.251 25 N C 0.533 176.020 175.510 -0.039 0.000 1.123 25 N CA 1.768 54.808 53.050 -0.016 0.000 0.739 25 N CB -1.046 37.443 38.487 0.002 0.000 1.113 25 N HN 0.585 8.972 8.380 0.013 0.000 0.561 26 T N -3.289 111.234 114.554 -0.053 0.000 3.081 26 T HA 0.005 4.342 4.350 -0.022 0.000 0.255 26 T C 0.051 174.690 174.700 -0.101 0.000 1.113 26 T CA 2.226 64.299 62.100 -0.045 0.000 1.082 26 T CB 0.472 69.330 68.868 -0.017 0.000 0.939 26 T HN -0.584 7.586 8.240 -0.055 0.037 0.506 27 V N 2.468 122.260 119.914 -0.205 0.000 2.260 27 V HA 0.395 4.254 4.120 -0.435 0.000 0.263 27 V C -1.410 174.354 176.094 -0.550 0.000 1.036 27 V CA -3.473 58.550 62.300 -0.461 0.000 0.874 27 V CB 0.320 31.861 31.823 -0.470 0.000 1.116 27 V HN -0.486 7.546 8.190 -0.175 0.053 0.454 28 P HA 0.052 4.504 4.420 -0.112 -0.100 0.226 28 P C 0.227 177.455 177.300 -0.120 0.000 1.153 28 P CA 1.627 64.635 63.100 -0.153 0.000 0.777 28 P CB 0.142 31.833 31.700 -0.014 0.000 0.794 29 Y N -5.928 114.394 120.300 0.037 0.000 2.482 29 Y HA 0.438 5.151 4.550 0.054 -0.130 0.270 29 Y C -0.402 175.532 175.900 0.056 0.000 1.152 29 Y CA -2.939 55.189 58.100 0.047 0.000 1.292 29 Y CB -1.267 37.218 38.460 0.041 0.000 1.070 29 Y HN -0.427 7.180 8.280 -1.049 0.044 0.528 30 Q N 2.915 122.560 119.800 -0.259 0.000 2.313 30 Q HA 0.125 4.654 4.340 0.090 -0.135 0.266 30 Q C -0.270 175.808 176.000 0.131 0.000 0.989 30 Q CA 0.264 56.041 55.803 -0.043 0.000 0.890 30 Q CB 0.827 29.428 28.738 -0.228 0.000 1.200 30 Q HN -0.585 7.166 8.270 -0.599 0.160 0.396 31 V N 1.246 121.278 119.914 0.196 0.000 3.046 31 V HA 0.857 5.224 4.120 0.202 -0.125 0.316 31 V C -1.811 174.437 176.094 0.258 0.000 1.104 31 V CA -2.970 59.445 62.300 0.192 0.000 1.006 31 V CB 3.690 35.573 31.823 0.100 0.000 1.058 31 V HN 0.227 8.528 8.190 0.185 0.000 0.440 32 S N 0.302 116.061 115.700 0.098 0.000 2.472 32 S HA 0.447 5.156 4.470 0.208 -0.114 0.303 32 S C -1.052 173.433 174.600 -0.192 0.000 1.099 32 S CA -2.017 56.170 58.200 -0.022 0.000 1.077 32 S CB 1.940 64.898 63.200 -0.404 0.000 1.031 32 S HN 0.092 8.419 8.310 0.028 0.000 0.487 33 L N 6.895 127.876 121.223 -0.403 0.000 2.272 33 L HA 0.514 4.740 4.340 -0.390 -0.120 0.289 33 L C -1.684 174.696 176.870 -0.817 0.000 1.032 33 L CA -0.825 53.620 54.840 -0.657 0.000 0.810 33 L CB 1.006 42.462 42.059 -1.005 0.000 1.205 33 L HN 0.697 8.672 8.230 -0.425 0.000 0.422 38 G N 0.103 108.805 108.800 -0.163 0.000 2.176 38 G HA2 -0.295 3.644 3.960 -0.035 0.000 0.232 38 G HA3 -0.295 3.714 3.960 0.082 0.000 0.232 38 G C -1.533 173.446 174.900 0.132 0.000 0.986 38 G CA 0.368 45.470 45.100 0.003 0.000 0.643 38 G HN 0.302 8.773 8.290 -0.198 -0.299 0.522 39 Y N -7.346 112.923 120.300 -0.050 0.000 2.687 39 Y HA 0.174 4.681 4.550 -0.071 0.000 0.338 39 Y C -2.481 173.398 175.900 -0.034 0.000 1.189 39 Y CA -3.561 54.508 58.100 -0.051 0.000 1.097 39 Y CB 0.516 38.946 38.460 -0.051 0.000 1.342 39 Y HN -1.198 6.883 8.280 -0.383 -0.031 0.461 40 H N 2.819 121.831 119.070 -0.097 0.000 2.848 40 H HA -0.087 4.402 4.556 -0.351 -0.143 0.317 40 H C -0.532 174.756 175.328 -0.067 0.000 1.046 40 H CA 0.541 56.458 56.048 -0.219 0.000 1.470 40 H CB 0.127 29.737 29.762 -0.253 0.000 1.483 40 H HN 0.417 8.773 8.280 0.126 0.000 0.548 41 F N 2.405 121.860 119.950 -0.826 0.000 2.747 41 F HA 0.400 4.795 4.527 -0.219 0.000 0.305 41 F C -1.601 173.923 175.800 -0.461 0.000 1.065 41 F CA -0.276 57.445 58.000 -0.465 0.000 1.230 41 F CB 1.825 40.620 39.000 -0.342 0.000 1.027 41 F HN -0.085 7.546 8.300 -1.116 0.000 0.607 42 c N -1.644 116.314 118.600 -1.069 0.000 3.318 42 c HA 0.401 4.862 4.570 -0.182 0.000 0.322 42 c C -1.525 172.414 174.090 -0.253 0.000 1.398 42 c CA -0.415 55.625 56.329 -0.482 0.000 1.339 42 c CB 4.119 46.401 42.510 -0.381 0.000 1.668 42 c HN -0.769 6.526 8.230 -1.558 0.000 0.462 43 G N -0.999 107.815 108.800 0.023 0.000 2.552 43 G HA2 0.782 5.064 3.960 0.287 0.000 0.318 43 G HA3 0.782 4.866 3.960 0.207 0.000 0.318 43 G C -2.487 172.445 174.900 0.053 0.000 1.240 43 G CA -1.513 43.685 45.100 0.162 0.000 1.002 43 G HN 0.836 9.031 8.290 0.019 0.106 0.493 44 G N -3.935 104.926 108.800 0.102 0.000 2.559 44 G HA2 0.533 4.810 3.960 0.067 0.000 0.291 44 G HA3 0.533 4.523 3.960 0.050 0.000 0.291 44 G C -2.837 172.147 174.900 0.139 0.000 1.424 44 G CA 0.282 45.431 45.100 0.082 0.000 0.786 44 G HN -0.618 7.766 8.290 0.157 0.000 0.485 45 S N -0.276 115.510 115.700 0.144 0.000 2.557 45 S HA 0.754 5.583 4.470 0.263 -0.202 0.291 45 S C -1.194 173.508 174.600 0.170 0.000 1.116 45 S CA -0.906 57.411 58.200 0.196 0.000 0.992 45 S CB 3.754 67.054 63.200 0.167 0.000 1.028 45 S HN 0.422 8.803 8.310 0.119 0.000 0.484 46 L N 6.525 127.864 121.223 0.194 0.000 2.361 46 L HA 0.078 4.506 4.340 0.146 0.000 0.278 46 L C -0.778 176.178 176.870 0.144 0.000 1.113 46 L CA 0.123 55.059 54.840 0.161 0.000 0.849 46 L CB 0.757 42.911 42.059 0.158 0.000 1.155 46 L HN 0.314 8.696 8.230 0.253 0.000 0.452 47 I N 0.025 120.677 120.570 0.136 0.000 4.139 47 I HA 0.506 4.872 4.170 0.073 -0.152 0.335 47 I C -0.912 175.268 176.117 0.103 0.000 1.327 47 I CA -0.691 60.667 61.300 0.098 0.000 1.112 47 I CB 0.761 38.808 38.000 0.078 0.000 1.058 47 I HN 0.229 8.537 8.210 0.163 0.000 0.396 48 N N -2.374 116.410 118.700 0.139 0.000 3.227 48 N HA 0.164 4.962 4.740 0.097 0.000 0.241 48 N C -0.637 174.952 175.510 0.132 0.000 1.480 48 N CA -0.453 52.675 53.050 0.130 0.000 0.886 48 N CB 0.736 39.314 38.487 0.151 0.000 1.406 48 N HN -0.941 7.535 8.380 0.161 0.000 0.514 49 S N -3.445 112.318 115.700 0.106 0.000 2.507 49 S HA -0.330 4.180 4.470 0.068 0.000 0.235 49 S C 0.772 175.403 174.600 0.051 0.000 0.988 49 S CA 2.737 60.981 58.200 0.073 0.000 0.944 49 S CB -0.188 63.044 63.200 0.053 0.000 0.762 49 S HN 0.408 8.777 8.310 0.099 0.000 0.526 50 Q N -0.604 119.241 119.800 0.075 0.000 2.140 50 Q HA 0.343 4.619 4.340 -0.107 0.000 0.227 50 Q C -2.198 173.672 176.000 -0.216 0.000 0.798 50 Q CA -0.494 55.253 55.803 -0.094 0.000 0.987 50 Q CB 2.751 31.395 28.738 -0.156 0.000 1.161 50 Q HN 0.140 8.812 8.270 0.173 -0.298 0.480 51 W N -2.031 119.275 121.300 0.010 0.000 2.915 51 W HA 0.619 5.458 4.660 0.005 -0.177 0.337 51 W C -1.509 175.022 176.519 0.020 0.000 1.102 51 W CA -0.967 56.382 57.345 0.007 0.000 1.224 51 W CB 3.788 33.242 29.460 -0.010 0.000 1.416 51 W HN -0.271 8.202 8.180 0.273 -0.129 0.503 52 V N 0.928 121.001 119.914 0.265 0.000 2.864 52 V HA 0.725 5.108 4.120 0.168 -0.162 0.314 52 V C -1.398 174.807 176.094 0.186 0.000 1.073 52 V CA -1.861 60.544 62.300 0.176 0.000 0.956 52 V CB 3.752 35.636 31.823 0.102 0.000 1.023 52 V HN 0.820 9.178 8.190 0.280 0.000 0.435 53 V N 5.071 125.071 119.914 0.144 0.000 2.555 53 V HA 0.779 5.167 4.120 0.150 -0.178 0.302 53 V C -1.305 174.845 176.094 0.092 0.000 1.038 53 V CA -1.326 61.051 62.300 0.128 0.000 0.887 53 V CB 2.542 34.434 31.823 0.116 0.000 0.991 53 V HN 0.499 8.769 8.190 0.133 0.000 0.434 54 S N 4.078 119.819 115.700 0.068 0.000 2.880 54 S HA 0.552 5.248 4.470 0.027 -0.209 0.308 54 S C -2.044 172.542 174.600 -0.024 0.000 1.195 54 S CA -2.527 55.684 58.200 0.018 0.000 0.866 54 S CB 2.494 65.692 63.200 -0.003 0.000 1.254 54 S HN 0.768 9.128 8.310 0.084 0.000 0.571 55 A N -0.623 122.138 122.820 -0.099 0.000 2.303 55 A HA 0.544 4.963 4.320 -0.120 -0.170 0.317 55 A C 0.485 177.930 177.584 -0.233 0.000 1.149 55 A CA -1.728 50.205 52.037 -0.173 0.000 0.822 55 A CB 1.682 20.517 19.000 -0.275 0.000 1.131 55 A HN 0.291 8.372 8.150 -0.116 0.000 0.493 56 A N 4.241 126.872 122.820 -0.314 0.000 1.972 56 A HA -0.241 3.912 4.320 -0.278 0.000 0.219 56 A C 1.282 178.591 177.584 -0.457 0.000 1.169 56 A CA 2.799 54.524 52.037 -0.520 0.000 0.635 56 A CB -0.333 17.940 19.000 -1.211 0.000 0.810 56 A HN 0.600 8.588 8.150 -0.284 -0.008 0.446 57 H N -5.617 113.275 119.070 -0.297 0.000 2.556 57 H HA -0.030 4.528 4.556 0.002 0.000 0.268 57 H C -0.099 175.269 175.328 0.066 0.000 0.996 57 H CA 0.970 57.001 56.048 -0.027 0.000 1.157 57 H CB -1.152 28.672 29.762 0.103 0.000 1.355 57 H HN -0.189 8.204 8.280 -0.253 -0.265 0.597 58 c N -1.047 117.472 118.600 -0.134 0.000 2.906 58 c HA 0.047 4.705 4.570 0.148 0.000 0.274 58 c C -0.738 173.448 174.090 0.159 0.000 1.257 58 c CA -0.524 55.833 56.329 0.046 0.000 1.695 58 c CB -1.248 41.237 42.510 -0.042 0.000 1.958 58 c HN -0.455 7.452 8.230 -0.210 0.197 0.619 59 Y N 2.459 122.757 120.300 -0.002 0.000 2.597 59 Y HA -0.168 4.402 4.550 0.034 0.000 0.336 59 Y C -1.526 174.353 175.900 -0.035 0.000 1.216 59 Y CA 1.451 59.552 58.100 0.001 0.000 1.463 59 Y CB 1.062 39.505 38.460 -0.029 0.000 1.303 59 Y HN -0.509 7.682 8.280 0.148 0.177 0.576 60 K N 5.212 124.852 120.400 -1.268 0.000 2.772 60 K HA 0.177 4.039 4.320 -0.764 0.000 0.292 60 K C -2.599 173.468 176.600 -0.888 0.000 1.049 60 K CA -0.986 54.752 56.287 -0.914 0.000 0.846 60 K CB 2.081 34.219 32.500 -0.602 0.000 1.514 60 K HN -0.035 7.307 8.250 -1.514 0.000 0.373 61 S N 0.049 115.453 115.700 -0.495 0.000 2.713 61 S HA 0.161 4.455 4.470 -0.293 0.000 0.283 61 S C 0.745 175.213 174.600 -0.219 0.000 1.161 61 S CA -0.458 57.574 58.200 -0.281 0.000 0.999 61 S CB 1.088 64.217 63.200 -0.119 0.000 1.039 61 S HN -0.190 7.903 8.310 -0.362 0.000 0.548 62 G N -0.238 108.475 108.800 -0.144 0.000 2.291 62 G HA2 -0.178 3.727 3.960 -0.090 0.000 0.271 62 G HA3 -0.178 3.705 3.960 -0.128 0.000 0.271 62 G C -1.544 173.284 174.900 -0.120 0.000 1.099 62 G CA 0.080 45.108 45.100 -0.121 0.000 0.919 62 G HN 0.338 8.559 8.290 -0.115 0.000 0.496 63 I N -0.969 119.545 120.570 -0.093 0.000 2.354 63 I HA 0.147 4.452 4.170 0.020 -0.123 0.292 63 I C -1.708 174.372 176.117 -0.063 0.000 0.989 63 I CA -0.917 60.363 61.300 -0.033 0.000 1.188 63 I CB 0.924 38.926 38.000 0.004 0.000 1.342 63 I HN -0.471 7.681 8.210 -0.096 0.000 0.457 64 Q N 7.674 127.420 119.800 -0.090 0.000 3.018 64 Q HA 0.533 4.911 4.340 -0.088 -0.091 0.209 64 Q C -1.631 174.279 176.000 -0.150 0.000 1.036 64 Q CA -1.875 53.854 55.803 -0.124 0.000 0.886 64 Q CB 4.186 32.813 28.738 -0.185 0.000 2.058 64 Q HN 0.737 8.956 8.270 -0.085 0.000 0.452 65 R N -2.851 117.602 120.500 -0.079 0.000 2.937 65 R HA 0.384 4.997 4.340 0.188 -0.160 0.273 65 R C -1.342 175.010 176.300 0.087 0.000 1.176 65 R CA 0.007 56.118 56.100 0.018 0.000 1.132 65 R CB 2.376 32.560 30.300 -0.194 0.000 1.270 65 R HN 0.619 8.820 8.270 -0.114 0.000 0.425 70 E N -0.690 119.611 120.200 0.168 0.000 2.349 70 E HA 0.073 4.506 4.350 0.138 0.000 0.265 70 E C -1.446 175.344 176.600 0.316 0.000 1.064 70 E CA 0.575 57.094 56.400 0.199 0.000 0.886 70 E CB 1.282 31.045 29.700 0.104 0.000 1.036 70 E HN -0.588 7.843 8.360 0.189 0.042 0.413 71 D N 1.207 121.772 120.400 0.275 0.000 2.887 71 D HA 0.058 4.918 4.640 0.367 0.000 0.162 71 D C -1.193 175.304 176.300 0.328 0.000 1.495 71 D CA 1.390 55.565 54.000 0.292 0.000 1.531 71 D CB 2.428 43.311 40.800 0.138 0.000 1.459 71 D HN 0.188 8.665 8.370 0.179 0.000 0.256 72 N N 0.865 119.665 118.700 0.167 0.000 2.420 72 N HA 0.250 5.212 4.740 0.160 -0.126 0.249 72 N C 1.911 177.428 175.510 0.011 0.000 1.033 72 N CA -1.004 52.112 53.050 0.110 0.000 0.944 72 N CB 0.474 39.004 38.487 0.072 0.000 1.113 72 N HN -0.691 7.898 8.380 0.124 -0.134 0.502 73 I N 0.254 120.745 120.570 -0.132 0.000 3.334 73 I HA -0.079 4.091 4.170 -0.259 -0.155 0.282 73 I C -0.418 175.618 176.117 -0.135 0.000 1.313 73 I CA 1.267 62.393 61.300 -0.290 0.000 1.396 73 I CB -0.853 36.734 38.000 -0.688 0.000 1.054 73 I HN 0.385 8.526 8.210 -0.115 0.000 0.495 74 N N -2.103 116.565 118.700 -0.054 0.000 2.220 74 N HA 0.146 4.870 4.740 -0.025 0.000 0.195 74 N C -0.601 174.917 175.510 0.013 0.000 1.123 74 N CA 0.720 53.761 53.050 -0.016 0.000 0.874 74 N CB 1.800 40.288 38.487 0.000 0.000 0.995 74 N HN -0.008 8.648 8.380 -0.032 -0.296 0.498 75 V N 0.228 120.155 119.914 0.022 0.000 2.656 75 V HA 0.047 4.185 4.120 0.030 0.000 0.307 75 V C -1.343 174.774 176.094 0.038 0.000 1.051 75 V CA -1.144 61.174 62.300 0.030 0.000 0.893 75 V CB 2.992 34.831 31.823 0.027 0.000 0.999 75 V HN -0.864 7.440 8.190 0.015 -0.105 0.426 76 V N 7.089 127.021 119.914 0.031 0.000 2.408 76 V HA -0.158 4.149 4.120 0.020 -0.175 0.267 76 V C -0.032 176.057 176.094 -0.007 0.000 1.047 76 V CA 0.641 62.945 62.300 0.005 0.000 0.937 76 V CB 0.121 31.928 31.823 -0.027 0.000 0.999 76 V HN 0.250 8.456 8.190 0.026 0.000 0.472 77 E N 7.818 128.015 120.200 -0.006 0.000 2.490 77 E HA 0.162 4.510 4.350 -0.003 0.000 0.209 77 E C -0.407 176.183 176.600 -0.015 0.000 0.971 77 E CA -0.421 55.978 56.400 -0.003 0.000 0.988 77 E CB 1.006 30.715 29.700 0.015 0.000 1.029 77 E HN 0.487 9.312 8.360 -0.002 -0.466 0.496 78 G N -0.026 108.754 108.800 -0.034 0.000 2.576 78 G HA2 -0.217 3.703 3.960 -0.066 0.000 0.686 78 G HA3 -0.217 3.724 3.960 -0.031 0.000 0.686 78 G C -1.715 173.164 174.900 -0.035 0.000 1.242 78 G CA -0.683 44.391 45.100 -0.044 0.000 0.819 78 G HN -0.426 8.262 8.290 -0.045 -0.425 0.655 79 N N -3.865 114.809 118.700 -0.043 0.000 2.980 79 N HA -0.276 4.448 4.740 -0.026 0.000 0.213 79 N C -1.070 174.421 175.510 -0.033 0.000 0.892 79 N CA 1.303 54.337 53.050 -0.026 0.000 1.025 79 N CB -0.241 38.245 38.487 -0.001 0.000 1.030 79 N HN 0.156 8.502 8.380 -0.056 0.000 0.585 80 E N -1.022 119.133 120.200 -0.075 0.000 2.343 80 E HA 0.195 4.792 4.350 0.009 -0.242 0.269 80 E C -0.199 176.304 176.600 -0.163 0.000 1.047 80 E CA 0.396 56.740 56.400 -0.094 0.000 0.874 80 E CB 0.558 30.132 29.700 -0.210 0.000 1.033 80 E HN -0.209 8.003 8.360 -0.097 0.090 0.409 81 Q N 1.926 121.700 119.800 -0.044 0.000 2.292 81 Q HA 0.271 4.538 4.340 -0.122 0.000 0.270 81 Q C -1.480 174.628 176.000 0.179 0.000 1.024 81 Q CA -1.213 54.575 55.803 -0.024 0.000 0.768 81 Q CB 2.992 31.741 28.738 0.019 0.000 1.250 81 Q HN 0.172 8.487 8.270 0.076 0.000 0.447 82 F N 3.533 123.464 119.950 -0.032 0.000 2.402 82 F HA 0.438 5.116 4.527 -0.047 -0.179 0.355 82 F C -0.162 175.614 175.800 -0.040 0.000 1.123 82 F CA -2.922 55.053 58.000 -0.041 0.000 1.021 82 F CB 0.912 39.886 39.000 -0.043 0.000 1.160 82 F HN 0.369 8.685 8.300 0.027 0.000 0.451 83 I N 4.310 124.955 120.570 0.124 0.000 2.545 83 I HA 0.247 4.443 4.170 0.043 0.000 0.292 83 I C -1.210 174.905 176.117 -0.003 0.000 1.040 83 I CA -1.405 59.919 61.300 0.040 0.000 1.068 83 I CB 3.917 41.926 38.000 0.014 0.000 1.251 83 I HN 0.774 9.046 8.210 0.104 0.000 0.424 84 S N 5.531 121.220 115.700 -0.019 0.000 2.592 84 S HA 0.119 4.667 4.470 -0.048 -0.107 0.271 84 S C -0.443 174.120 174.600 -0.061 0.000 1.326 84 S CA 0.572 58.747 58.200 -0.042 0.000 1.024 84 S CB 1.040 64.218 63.200 -0.036 0.000 0.921 84 S HN 0.413 8.717 8.310 -0.011 0.000 0.527 85 A N 3.674 126.454 122.820 -0.066 0.000 2.409 85 A HA 0.142 4.502 4.320 -0.101 -0.100 0.262 85 A C -0.123 177.410 177.584 -0.084 0.000 1.113 85 A CA -0.141 51.848 52.037 -0.080 0.000 0.790 85 A CB 0.353 19.317 19.000 -0.060 0.000 1.046 85 A HN -0.064 8.049 8.150 -0.062 0.000 0.496 86 S N 4.175 119.804 115.700 -0.119 0.000 2.388 86 S HA -0.011 4.415 4.470 -0.073 0.000 0.223 86 S C 0.362 174.920 174.600 -0.071 0.000 1.034 86 S CA 1.655 59.795 58.200 -0.100 0.000 0.963 86 S CB 0.721 63.838 63.200 -0.139 0.000 0.827 86 S HN 0.694 8.792 8.310 -0.169 0.111 0.481 87 K N -0.393 119.960 120.400 -0.079 0.000 2.556 87 K HA 0.266 4.603 4.320 0.029 0.000 0.274 87 K C -2.347 174.281 176.600 0.046 0.000 0.966 87 K CA -0.734 55.555 56.287 0.003 0.000 0.865 87 K CB 3.411 35.924 32.500 0.021 0.000 1.444 87 K HN -0.779 7.387 8.250 -0.140 0.000 0.433 88 S N 0.583 116.366 115.700 0.138 0.000 2.500 88 S HA 0.699 5.434 4.470 0.174 -0.161 0.301 88 S C -0.939 173.794 174.600 0.223 0.000 1.092 88 S CA -0.492 57.831 58.200 0.206 0.000 1.030 88 S CB 2.800 66.182 63.200 0.303 0.000 1.031 88 S HN 0.130 8.537 8.310 0.160 0.000 0.483 89 I N 6.806 127.517 120.570 0.235 0.000 2.437 89 I HA 0.112 4.383 4.170 0.167 0.000 0.279 89 I C -1.552 174.714 176.117 0.248 0.000 1.028 89 I CA -0.784 60.649 61.300 0.222 0.000 1.142 89 I CB 1.571 39.710 38.000 0.232 0.000 1.266 89 I HN 1.071 9.326 8.210 0.257 0.109 0.461 90 V N 7.715 127.710 119.914 0.134 0.000 2.775 90 V HA -0.171 4.003 4.120 0.090 0.000 0.299 90 V C -0.298 175.882 176.094 0.143 0.000 1.062 90 V CA -0.576 61.769 62.300 0.074 0.000 1.063 90 V CB 0.928 32.694 31.823 -0.095 0.000 0.994 90 V HN 0.326 8.552 8.190 0.060 0.000 0.483 91 H N 8.003 127.047 119.070 -0.043 0.000 3.034 91 H HA -0.018 4.340 4.556 -0.330 0.000 0.324 91 H C -0.319 174.962 175.328 -0.079 0.000 1.015 91 H CA 0.010 55.889 56.048 -0.281 0.000 1.429 91 H CB 1.592 31.010 29.762 -0.573 0.000 1.429 91 H HN -0.243 8.069 8.280 0.053 0.000 0.585 92 P HA -0.111 4.315 4.420 0.009 0.000 0.219 92 P C -0.407 176.933 177.300 0.067 0.000 1.146 92 P CA 1.444 64.512 63.100 -0.053 0.000 0.808 92 P CB 0.310 31.955 31.700 -0.091 0.000 0.779 93 S N -3.498 112.355 115.700 0.256 0.000 2.582 93 S HA 0.048 4.575 4.470 0.096 0.000 0.234 93 S C -0.406 174.290 174.600 0.160 0.000 0.961 93 S CA -0.093 58.231 58.200 0.206 0.000 0.953 93 S CB 0.420 63.742 63.200 0.204 0.000 0.800 93 S HN -0.354 8.228 8.310 0.514 0.036 0.471 94 Y N 4.698 125.039 120.300 0.068 0.000 2.610 94 Y HA -0.226 4.493 4.550 -0.054 -0.201 0.332 94 Y C -0.964 174.925 175.900 -0.019 0.000 1.201 94 Y CA 0.992 59.085 58.100 -0.011 0.000 1.465 94 Y CB 0.778 39.233 38.460 -0.007 0.000 1.283 94 Y HN -0.628 7.760 8.280 0.315 0.081 0.563 95 N N 6.828 125.097 118.700 -0.719 0.000 2.483 95 N HA 0.212 4.655 4.740 -0.495 0.000 0.267 95 N C -0.334 174.627 175.510 -0.915 0.000 0.998 95 N CA -1.173 51.505 53.050 -0.620 0.000 0.918 95 N CB 2.100 40.404 38.487 -0.306 0.000 1.215 95 N HN -0.108 7.922 8.380 -0.582 0.000 0.500 96 S N 6.824 122.012 115.700 -0.853 0.000 2.603 96 S HA -0.052 4.068 4.470 -0.583 0.000 0.229 96 S C 0.524 174.952 174.600 -0.287 0.000 0.972 96 S CA 2.109 59.998 58.200 -0.519 0.000 0.935 96 S CB -0.358 62.723 63.200 -0.198 0.000 0.769 96 S HN 0.617 8.534 8.310 -0.654 0.000 0.536 97 N N 2.020 120.551 118.700 -0.282 0.000 2.402 97 N HA 0.087 4.706 4.740 -0.201 0.000 0.174 97 N C 0.970 176.321 175.510 -0.266 0.000 1.027 97 N CA 2.138 55.054 53.050 -0.223 0.000 0.891 97 N CB 0.825 39.208 38.487 -0.174 0.000 1.016 97 N HN 0.332 8.807 8.380 -0.317 -0.285 0.439 98 T N -3.228 111.164 114.554 -0.270 0.000 3.015 98 T HA 0.061 4.218 4.350 -0.322 0.000 0.250 98 T C 0.228 174.741 174.700 -0.311 0.000 1.057 98 T CA 0.130 62.064 62.100 -0.276 0.000 1.066 98 T CB 1.686 70.448 68.868 -0.178 0.000 0.959 98 T HN -0.577 7.718 8.240 -0.273 -0.218 0.488 99 L N -3.650 117.424 121.223 -0.249 0.000 4.406 99 L HA -0.473 3.958 4.340 0.022 -0.078 0.406 99 L C -2.021 174.876 176.870 0.045 0.000 1.133 99 L CA 0.239 55.038 54.840 -0.069 0.000 0.974 99 L CB -2.460 39.516 42.059 -0.139 0.000 2.152 99 L HN -0.207 7.847 8.230 -0.292 0.000 0.736 100 N N -0.836 117.843 118.700 -0.035 0.000 2.530 100 N HA -0.135 4.653 4.740 0.079 0.000 0.273 100 N C -0.030 175.516 175.510 0.060 0.000 1.173 100 N CA 0.700 53.766 53.050 0.026 0.000 0.967 100 N CB 1.220 39.697 38.487 -0.018 0.000 1.109 100 N HN -0.646 7.616 8.380 -0.131 0.039 0.453 101 N N -1.020 117.714 118.700 0.056 0.000 2.756 101 N HA -0.473 4.201 4.740 -0.111 0.000 0.248 101 N C -1.224 174.260 175.510 -0.044 0.000 1.062 101 N CA 1.336 54.321 53.050 -0.108 0.000 0.696 101 N CB -1.615 36.684 38.487 -0.314 0.000 0.946 101 N HN 0.652 9.088 8.380 0.095 0.000 0.548 102 D N -0.974 119.454 120.400 0.047 0.000 2.671 102 D HA 0.004 4.676 4.640 0.054 0.000 0.228 102 D C -1.759 174.448 176.300 -0.155 0.000 1.102 102 D CA -0.190 53.835 54.000 0.042 0.000 1.044 102 D CB -0.910 40.003 40.800 0.189 0.000 1.113 102 D HN -0.089 8.323 8.370 0.070 0.000 0.480 103 I N 0.669 121.081 120.570 -0.262 0.000 2.769 103 I HA 0.607 4.851 4.170 -0.138 -0.157 0.298 103 I C -3.029 173.047 176.117 -0.069 0.000 1.128 103 I CA -1.698 59.477 61.300 -0.209 0.000 1.031 103 I CB 4.200 41.948 38.000 -0.420 0.000 1.235 103 I HN -0.080 7.918 8.210 -0.275 0.047 0.423 104 M N 6.489 126.119 119.600 0.049 0.000 2.433 104 M HA 0.666 5.458 4.480 0.240 -0.168 0.290 104 M C -2.728 173.698 176.300 0.211 0.000 1.173 104 M CA -1.116 54.276 55.300 0.154 0.000 0.905 104 M CB 4.778 37.423 32.600 0.076 0.000 1.692 104 M HN 0.621 8.848 8.290 0.036 0.085 0.462 105 L N 3.959 125.344 121.223 0.271 0.000 2.317 105 L HA 0.842 5.511 4.340 0.247 -0.180 0.281 105 L C -1.273 175.784 176.870 0.312 0.000 1.024 105 L CA -1.470 53.538 54.840 0.279 0.000 0.810 105 L CB 3.028 45.212 42.059 0.209 0.000 1.240 105 L HN 0.298 8.717 8.230 0.315 0.000 0.427 106 I N 1.402 122.140 120.570 0.279 0.000 2.436 106 I HA 0.542 4.944 4.170 0.110 -0.167 0.289 106 I C -1.576 174.504 176.117 -0.062 0.000 1.010 106 I CA -1.362 60.006 61.300 0.112 0.000 1.098 106 I CB 2.812 40.846 38.000 0.056 0.000 1.266 106 I HN 0.818 9.210 8.210 0.304 0.000 0.434 107 K N 6.629 126.797 120.400 -0.385 0.000 2.130 107 K HA 0.604 4.198 4.320 -1.439 -0.138 0.268 107 K C -1.191 175.099 176.600 -0.517 0.000 0.983 107 K CA -1.679 53.988 56.287 -1.034 0.000 0.893 107 K CB 2.962 34.667 32.500 -1.324 0.000 1.066 107 K HN 0.669 8.778 8.250 -0.235 0.000 0.450 108 L N 3.616 124.566 121.223 -0.455 0.000 2.379 108 L HA 0.257 4.595 4.340 -0.179 -0.106 0.269 108 L C 1.777 178.522 176.870 -0.209 0.000 1.084 108 L CA -0.338 54.361 54.840 -0.235 0.000 0.802 108 L CB 0.640 42.606 42.059 -0.155 0.000 1.175 108 L HN 0.801 8.569 8.230 -0.595 0.105 0.448 109 K N 3.205 123.525 120.400 -0.133 0.000 2.057 109 K HA -0.325 3.929 4.320 -0.110 0.000 0.207 109 K C -0.569 175.979 176.600 -0.086 0.000 1.049 109 K CA 2.702 58.930 56.287 -0.099 0.000 0.931 109 K CB 0.395 32.857 32.500 -0.064 0.000 0.714 109 K HN 0.592 8.776 8.250 -0.109 0.000 0.440 110 S N -3.165 112.492 115.700 -0.073 0.000 2.599 110 S HA 0.083 4.521 4.470 -0.055 0.000 0.287 110 S C -1.905 172.664 174.600 -0.053 0.000 1.105 110 S CA -0.989 57.179 58.200 -0.053 0.000 0.899 110 S CB 2.867 66.048 63.200 -0.031 0.000 1.100 110 S HN -0.412 7.857 8.310 -0.069 0.000 0.482 111 A N -0.056 122.742 122.820 -0.036 0.000 2.407 111 A HA -0.009 4.460 4.320 -0.033 -0.169 0.248 111 A C -0.523 177.057 177.584 -0.006 0.000 1.082 111 A CA 0.142 52.167 52.037 -0.021 0.000 0.785 111 A CB 0.725 19.723 19.000 -0.004 0.000 1.020 111 A HN 0.098 8.230 8.150 -0.030 0.000 0.489 112 A N 1.164 123.988 122.820 0.006 0.000 2.304 112 A HA 0.175 4.571 4.320 0.010 -0.071 0.271 112 A C -0.474 177.120 177.584 0.017 0.000 1.091 112 A CA -1.306 50.740 52.037 0.015 0.000 0.812 112 A CB 1.425 20.443 19.000 0.029 0.000 1.056 112 A HN 0.324 8.369 8.150 0.009 0.110 0.489 113 S N 0.120 115.829 115.700 0.014 0.000 2.430 113 S HA 0.080 4.558 4.470 0.014 0.000 0.289 113 S C -0.500 174.113 174.600 0.021 0.000 1.143 113 S CA -0.547 57.660 58.200 0.013 0.000 1.067 113 S CB 0.337 63.539 63.200 0.004 0.000 0.964 113 S HN 0.023 8.679 8.310 0.011 -0.339 0.485 114 L N 6.087 127.326 121.223 0.026 0.000 2.350 114 L HA 0.214 4.704 4.340 0.038 -0.128 0.275 114 L C -0.369 176.517 176.870 0.027 0.000 1.099 114 L CA -0.210 54.650 54.840 0.034 0.000 0.808 114 L CB 0.457 42.541 42.059 0.042 0.000 1.149 114 L HN 0.213 8.458 8.230 0.025 0.000 0.442 115 N N 3.668 122.385 118.700 0.028 0.000 3.621 115 N HA 0.245 4.998 4.740 0.021 0.000 0.345 115 N C -1.207 174.319 175.510 0.027 0.000 1.646 115 N CA -0.697 52.367 53.050 0.022 0.000 0.731 115 N CB 0.664 39.160 38.487 0.015 0.000 2.435 115 N HN 0.327 8.728 8.380 0.033 0.000 0.613 116 S N -2.792 112.921 115.700 0.022 0.000 2.446 116 S HA -0.126 4.362 4.470 0.030 0.000 0.225 116 S C 0.821 175.434 174.600 0.022 0.000 1.016 116 S CA 2.017 60.232 58.200 0.024 0.000 0.943 116 S CB 0.170 63.381 63.200 0.018 0.000 0.786 116 S HN 0.023 8.343 8.310 0.017 0.000 0.508 117 R N -0.971 119.540 120.500 0.018 0.000 2.210 117 R HA 0.114 4.458 4.340 0.007 0.000 0.203 117 R C -1.110 175.201 176.300 0.018 0.000 1.010 117 R CA 0.177 56.285 56.100 0.013 0.000 1.008 117 R CB 0.807 31.114 30.300 0.012 0.000 0.923 117 R HN -0.012 8.562 8.270 0.017 -0.294 0.469 118 V N -1.694 118.237 119.914 0.030 0.000 2.447 118 V HA 0.262 4.594 4.120 0.043 -0.186 0.292 118 V C -2.150 173.979 176.094 0.058 0.000 1.021 118 V CA -1.014 61.312 62.300 0.044 0.000 0.850 118 V CB 2.289 34.137 31.823 0.041 0.000 1.005 118 V HN -0.460 7.928 8.190 0.029 -0.180 0.426 119 A N 6.690 129.559 122.820 0.083 0.000 2.539 119 A HA 0.500 4.870 4.320 0.083 0.000 0.296 119 A C -2.631 175.044 177.584 0.151 0.000 1.073 119 A CA -1.233 50.867 52.037 0.105 0.000 0.700 119 A CB 3.339 22.404 19.000 0.107 0.000 1.296 119 A HN 0.116 8.206 8.150 0.087 0.111 0.405 120 S N -0.949 114.826 115.700 0.124 0.000 2.652 120 S HA 0.521 5.240 4.470 0.163 -0.150 0.270 120 S C -0.564 174.098 174.600 0.102 0.000 1.243 120 S CA -1.003 57.273 58.200 0.127 0.000 0.999 120 S CB 1.466 64.721 63.200 0.091 0.000 0.973 120 S HN -0.006 8.362 8.310 0.097 0.000 0.544 121 I N 0.634 121.224 120.570 0.035 0.000 2.648 121 I HA 0.238 4.356 4.170 -0.087 0.000 0.304 121 I C -1.147 174.928 176.117 -0.070 0.000 1.009 121 I CA -1.655 59.574 61.300 -0.118 0.000 1.114 121 I CB 3.911 41.628 38.000 -0.472 0.000 1.293 121 I HN 0.119 8.361 8.210 0.053 0.000 0.449 122 S N 5.863 121.518 115.700 -0.074 0.000 2.601 122 S HA 0.249 4.707 4.470 -0.020 0.000 0.271 122 S C -0.659 173.917 174.600 -0.040 0.000 1.305 122 S CA -0.397 57.779 58.200 -0.040 0.000 1.022 122 S CB 0.862 64.044 63.200 -0.030 0.000 0.940 122 S HN 0.212 8.465 8.310 -0.094 0.000 0.525 123 L N 2.039 123.252 121.223 -0.016 0.000 2.421 123 L HA 0.166 4.507 4.340 0.002 0.000 0.263 123 L C -1.435 175.433 176.870 -0.003 0.000 1.122 123 L CA -2.137 52.703 54.840 0.000 0.000 0.804 123 L CB 0.022 42.090 42.059 0.016 0.000 1.150 123 L HN 0.189 8.412 8.230 -0.012 0.000 0.457 124 P HA 0.142 4.552 4.420 -0.015 0.000 0.279 124 P C -1.343 175.957 177.300 0.001 0.000 1.252 124 P CA -0.751 62.347 63.100 -0.004 0.000 0.811 124 P CB 0.639 32.338 31.700 -0.003 0.000 1.035 128 c N 0.440 119.018 118.600 -0.037 0.000 2.563 128 c HA 0.054 4.595 4.570 -0.047 0.000 0.358 128 c C -0.054 173.981 174.090 -0.092 0.000 1.336 128 c CA -0.584 55.711 56.329 -0.057 0.000 2.454 128 c CB 0.442 42.924 42.510 -0.047 0.000 2.448 128 c HN -0.018 8.192 8.230 -0.032 0.000 0.670 129 A N 0.063 122.791 122.820 -0.152 0.000 2.282 129 A HA 0.126 4.371 4.320 -0.125 0.000 0.319 129 A C -1.019 176.458 177.584 -0.178 0.000 1.121 129 A CA -0.525 51.409 52.037 -0.173 0.000 0.836 129 A CB 1.550 20.404 19.000 -0.243 0.000 1.146 129 A HN 0.236 8.271 8.150 -0.192 0.000 0.494 133 G N 1.213 109.966 108.800 -0.079 0.000 2.299 133 G HA2 -0.305 3.616 3.960 -0.065 0.000 0.237 133 G HA3 -0.305 3.622 3.960 -0.055 0.000 0.237 133 G C 0.236 175.091 174.900 -0.075 0.000 1.027 133 G CA 0.070 45.130 45.100 -0.067 0.000 0.619 133 G HN 0.768 8.905 8.290 -0.084 0.103 0.513 134 T N 4.035 118.532 114.554 -0.095 0.000 2.908 134 T HA -0.226 4.081 4.350 -0.071 0.000 0.301 134 T C -0.966 173.681 174.700 -0.089 0.000 1.019 134 T CA 2.471 64.514 62.100 -0.094 0.000 1.152 134 T CB 0.622 69.414 68.868 -0.127 0.000 0.966 134 T HN -0.448 7.637 8.240 -0.109 0.090 0.540 135 Q N 6.237 126.002 119.800 -0.059 0.000 2.279 135 Q HA 0.155 4.583 4.340 -0.046 -0.116 0.256 135 Q C -0.876 175.104 176.000 -0.034 0.000 0.937 135 Q CA 0.389 56.170 55.803 -0.036 0.000 0.933 135 Q CB 1.126 29.860 28.738 -0.007 0.000 1.189 135 Q HN 0.204 8.444 8.270 -0.049 0.000 0.417 136 c N 3.782 122.363 118.600 -0.031 0.000 2.848 136 c HA 0.545 5.206 4.570 -0.020 -0.103 0.317 136 c C -1.854 172.243 174.090 0.011 0.000 1.260 136 c CA -1.510 54.805 56.329 -0.025 0.000 1.656 136 c CB 4.158 46.632 42.510 -0.060 0.000 2.174 136 c HN 1.014 9.109 8.230 -0.031 0.116 0.479 137 L N 0.939 122.178 121.223 0.026 0.000 2.296 137 L HA 0.824 5.368 4.340 0.059 -0.169 0.286 137 L C -2.143 174.746 176.870 0.032 0.000 1.023 137 L CA -1.305 53.565 54.840 0.051 0.000 0.812 137 L CB 2.845 44.956 42.059 0.085 0.000 1.223 137 L HN 0.764 8.893 8.230 0.020 0.113 0.421 138 I N 7.381 127.956 120.570 0.009 0.000 2.493 138 I HA 0.844 5.255 4.170 0.028 -0.224 0.298 138 I C -1.321 174.771 176.117 -0.040 0.000 0.998 138 I CA -1.489 59.815 61.300 0.007 0.000 1.137 138 I CB 2.735 40.746 38.000 0.018 0.000 1.310 138 I HN 0.928 9.143 8.210 0.009 0.000 0.445 139 S N 2.189 117.856 115.700 -0.056 0.000 2.618 139 S HA 1.047 5.551 4.470 -0.219 -0.165 0.277 139 S C -1.193 173.288 174.600 -0.198 0.000 1.138 139 S CA -1.792 56.297 58.200 -0.184 0.000 0.844 139 S CB 3.696 66.752 63.200 -0.241 0.000 1.127 139 S HN -0.194 8.114 8.310 -0.002 0.000 0.474 140 G N -1.342 107.248 108.800 -0.350 0.000 2.316 140 G HA2 0.139 3.871 3.960 -0.380 0.000 0.296 140 G HA3 0.139 4.223 3.960 -0.049 -0.153 0.296 140 G C -2.329 172.374 174.900 -0.329 0.000 1.399 140 G CA 0.533 45.464 45.100 -0.283 0.000 0.833 140 G HN 0.353 8.375 8.290 -0.447 0.000 0.565 141 W N 1.114 122.364 121.300 -0.084 0.000 3.015 141 W HA 0.385 5.000 4.660 -0.075 0.000 0.429 141 W C -0.240 176.326 176.519 0.079 0.000 0.976 141 W CA -0.954 56.316 57.345 -0.126 0.000 2.086 141 W CB 0.170 29.345 29.460 -0.477 0.000 1.125 141 W HN 0.604 8.949 8.180 0.275 0.000 0.721 142 G N 0.775 109.764 108.800 0.314 0.000 2.588 142 G HA2 -0.021 4.292 3.960 0.582 0.000 0.281 142 G HA3 -0.021 4.295 3.960 0.317 -0.166 0.281 142 G C -0.964 174.086 174.900 0.250 0.000 1.236 142 G CA -0.875 44.459 45.100 0.390 0.000 0.969 142 G HN -0.390 8.206 8.290 0.203 -0.184 0.504 143 N N -0.530 118.240 118.700 0.117 0.000 2.294 143 N HA -0.327 4.170 4.740 -0.678 -0.164 0.248 143 N C 0.819 176.256 175.510 -0.122 0.000 1.242 143 N CA 1.223 54.098 53.050 -0.292 0.000 0.848 143 N CB 0.644 38.941 38.487 -0.316 0.000 1.084 143 N HN 0.284 8.846 8.380 0.303 0.000 0.457 144 T N -0.499 113.966 114.554 -0.149 0.000 3.092 144 T HA 0.182 4.640 4.350 -0.042 -0.133 0.258 144 T C 0.065 174.726 174.700 -0.065 0.000 1.031 144 T CA 0.194 62.252 62.100 -0.070 0.000 0.925 144 T CB 1.134 69.972 68.868 -0.049 0.000 1.036 144 T HN 0.340 8.439 8.240 -0.234 0.000 0.544 145 K N 2.058 122.405 120.400 -0.088 0.000 2.267 145 K HA 0.386 4.684 4.320 -0.037 0.000 0.246 145 K C 0.088 176.667 176.600 -0.036 0.000 0.954 145 K CA -2.002 54.252 56.287 -0.055 0.000 0.824 145 K CB 2.598 35.061 32.500 -0.062 0.000 1.167 145 K HN -0.487 7.924 8.250 -0.136 -0.243 0.431 146 S N -1.140 114.551 115.700 -0.014 0.000 2.503 146 S HA -0.041 4.433 4.470 0.007 0.000 0.217 146 S C -0.004 174.599 174.600 0.005 0.000 0.999 146 S CA 0.910 59.112 58.200 0.004 0.000 0.914 146 S CB 0.888 64.097 63.200 0.014 0.000 0.782 146 S HN 0.210 8.512 8.310 -0.012 0.000 0.520 147 S N 1.218 116.917 115.700 -0.003 0.000 2.542 147 S HA 0.143 4.618 4.470 0.009 0.000 0.245 147 S C -0.459 174.137 174.600 -0.007 0.000 1.325 147 S CA -0.012 58.188 58.200 0.002 0.000 1.176 147 S CB -0.176 63.027 63.200 0.005 0.000 1.045 147 S HN -0.528 7.736 8.310 -0.010 0.040 0.481 148 G N 3.537 112.332 108.800 -0.007 0.000 2.408 148 G HA2 -0.217 3.746 3.960 0.005 0.000 0.682 148 G HA3 -0.217 3.736 3.960 -0.012 0.000 0.682 148 G C -2.611 172.263 174.900 -0.044 0.000 1.303 148 G CA -0.798 44.295 45.100 -0.011 0.000 0.966 148 G HN -0.073 8.216 8.290 -0.001 0.000 0.560 149 T N -3.687 110.838 114.554 -0.049 0.000 2.792 149 T HA 0.131 4.451 4.350 -0.282 -0.139 0.280 149 T C -1.485 173.099 174.700 -0.192 0.000 0.990 149 T CA -1.216 60.789 62.100 -0.159 0.000 0.960 149 T CB 1.677 70.567 68.868 0.036 0.000 0.939 149 T HN -0.177 8.056 8.240 -0.012 0.000 0.439 150 S N 4.194 119.677 115.700 -0.361 0.000 2.775 150 S HA 0.218 4.656 4.470 -0.053 0.000 0.277 150 S C -2.097 172.322 174.600 -0.303 0.000 1.156 150 S CA -0.391 57.704 58.200 -0.175 0.000 1.081 150 S CB 1.039 64.182 63.200 -0.095 0.000 1.054 150 S HN 0.572 8.928 8.310 -0.557 -0.380 0.482 151 Y N 5.886 126.226 120.300 0.067 0.000 2.323 151 Y HA 0.219 4.828 4.550 0.097 0.000 0.331 151 Y C -0.848 175.102 175.900 0.082 0.000 1.092 151 Y CA -2.620 55.533 58.100 0.089 0.000 1.150 151 Y CB 0.989 39.511 38.460 0.103 0.000 1.200 151 Y HN 0.114 8.501 8.280 0.178 0.000 0.472 152 P HA 0.303 4.800 4.420 0.127 0.000 0.281 152 P C -1.663 175.759 177.300 0.203 0.000 1.281 152 P CA -1.181 62.020 63.100 0.169 0.000 0.811 152 P CB 2.140 33.914 31.700 0.123 0.000 1.154 153 D N -2.906 117.592 120.400 0.164 0.000 2.338 153 D HA -0.025 4.681 4.640 0.110 0.000 0.224 153 D C -0.680 175.763 176.300 0.237 0.000 0.967 153 D CA 1.907 55.994 54.000 0.144 0.000 0.896 153 D CB 1.025 41.882 40.800 0.095 0.000 1.028 153 D HN 0.341 8.790 8.370 0.132 0.000 0.493 154 V N -7.011 113.041 119.914 0.230 0.000 2.966 154 V HA 0.725 5.278 4.120 0.396 -0.196 0.317 154 V C -0.455 175.712 176.094 0.121 0.000 1.070 154 V CA -2.473 59.980 62.300 0.255 0.000 1.008 154 V CB 2.004 33.897 31.823 0.117 0.000 1.070 154 V HN -0.930 7.356 8.190 0.159 0.000 0.457 155 L N 2.286 123.444 121.223 -0.109 0.000 2.499 155 L HA -0.093 3.418 4.340 -1.380 0.000 0.273 155 L C -0.589 176.028 176.870 -0.422 0.000 1.195 155 L CA 1.001 55.410 54.840 -0.719 0.000 0.882 155 L CB 0.376 41.984 42.059 -0.752 0.000 1.133 155 L HN -0.043 8.391 8.230 0.101 -0.143 0.483 156 K N 5.415 125.552 120.400 -0.438 0.000 2.208 156 K HA 0.646 4.921 4.320 -0.316 -0.145 0.247 156 K C -1.239 175.113 176.600 -0.413 0.000 0.953 156 K CA -2.570 53.515 56.287 -0.336 0.000 0.837 156 K CB 2.813 35.184 32.500 -0.215 0.000 1.131 156 K HN 0.061 7.984 8.250 -0.545 0.000 0.431 157 c N -0.828 117.427 118.600 -0.576 0.000 2.707 157 c HA 0.981 5.506 4.570 -0.389 -0.188 0.313 157 c C -1.783 171.929 174.090 -0.630 0.000 1.209 157 c CA -0.755 55.184 56.329 -0.651 0.000 1.635 157 c CB 3.523 45.502 42.510 -0.886 0.000 2.206 157 c HN 0.633 8.451 8.230 -0.687 0.000 0.485 158 L N 0.439 121.507 121.223 -0.258 0.000 2.493 158 L HA 0.386 4.756 4.340 0.051 0.000 0.265 158 L C -2.493 174.440 176.870 0.105 0.000 0.954 158 L CA 0.117 54.950 54.840 -0.011 0.000 0.844 158 L CB 4.493 46.568 42.059 0.027 0.000 1.302 158 L HN 0.703 8.823 8.230 -0.184 0.000 0.405 159 K N 5.973 126.500 120.400 0.212 0.000 2.213 159 K HA 0.782 5.380 4.320 0.131 -0.199 0.270 159 K C -1.010 175.725 176.600 0.225 0.000 1.002 159 K CA -1.353 55.045 56.287 0.186 0.000 0.868 159 K CB 0.992 33.608 32.500 0.193 0.000 1.093 159 K HN 0.347 8.755 8.250 0.263 0.000 0.454 160 A N 4.549 127.444 122.820 0.125 0.000 2.475 160 A HA 0.709 5.086 4.320 0.095 0.000 0.301 160 A C -3.343 174.185 177.584 -0.093 0.000 1.059 160 A CA -2.984 49.077 52.037 0.039 0.000 0.710 160 A CB 3.172 22.195 19.000 0.037 0.000 1.288 160 A HN 0.983 9.172 8.150 0.064 0.000 0.408 161 P HA 0.673 5.230 4.420 -0.110 -0.202 0.284 161 P C -0.971 176.249 177.300 -0.134 0.000 1.258 161 P CA -1.411 61.596 63.100 -0.155 0.000 0.824 161 P CB 1.430 33.033 31.700 -0.161 0.000 1.038 162 I N 0.551 121.051 120.570 -0.117 0.000 2.588 162 I HA -0.097 4.189 4.170 0.019 -0.105 0.283 162 I C 0.041 176.126 176.117 -0.052 0.000 1.119 162 I CA 0.873 62.119 61.300 -0.090 0.000 1.419 162 I CB 0.291 38.138 38.000 -0.255 0.000 1.394 162 I HN 0.305 8.437 8.210 -0.131 0.000 0.562 163 L N 6.080 127.313 121.223 0.017 0.000 2.400 163 L HA 0.311 4.632 4.340 -0.031 0.000 0.264 163 L C -0.137 176.741 176.870 0.014 0.000 1.061 163 L CA -1.188 53.654 54.840 0.003 0.000 0.799 163 L CB 0.983 43.057 42.059 0.024 0.000 1.240 163 L HN 0.548 8.728 8.230 0.103 0.112 0.461 164 S N -1.547 114.156 115.700 0.004 0.000 2.585 164 S HA -0.061 4.408 4.470 -0.001 0.000 0.273 164 S C 0.397 175.016 174.600 0.032 0.000 1.339 164 S CA -0.983 57.221 58.200 0.008 0.000 1.028 164 S CB 1.607 64.807 63.200 0.000 0.000 0.906 164 S HN 0.061 8.369 8.310 -0.004 0.000 0.528 165 D N 2.907 123.329 120.400 0.036 0.000 2.144 165 D HA -0.226 4.460 4.640 0.077 0.000 0.199 165 D C 2.017 178.344 176.300 0.046 0.000 0.984 165 D CA 3.339 57.371 54.000 0.054 0.000 0.834 165 D CB -0.428 40.401 40.800 0.049 0.000 0.955 165 D HN 0.582 8.966 8.370 0.024 0.000 0.465 166 S N -0.483 115.235 115.700 0.030 0.000 2.368 166 S HA -0.326 4.160 4.470 0.028 0.000 0.225 166 S C 2.065 176.678 174.600 0.021 0.000 1.030 166 S CA 3.506 61.720 58.200 0.024 0.000 0.999 166 S CB -0.242 62.967 63.200 0.014 0.000 0.844 166 S HN 0.113 8.432 8.310 0.022 0.004 0.459 167 S N 3.539 119.249 115.700 0.016 0.000 2.402 167 S HA -0.143 4.324 4.470 -0.005 0.000 0.229 167 S C 1.928 176.534 174.600 0.010 0.000 1.021 167 S CA 3.883 62.086 58.200 0.004 0.000 0.974 167 S CB -0.130 63.070 63.200 -0.000 0.000 0.800 167 S HN -0.586 7.733 8.310 0.016 0.000 0.484 168 c N 3.583 122.211 118.600 0.046 0.000 2.436 168 c HA -0.297 4.330 4.570 0.094 0.000 0.277 168 c C 1.557 175.714 174.090 0.111 0.000 1.241 168 c CA 2.769 59.154 56.329 0.094 0.000 1.721 168 c CB -1.658 40.924 42.510 0.119 0.000 2.043 168 c HN -0.166 8.075 8.230 0.049 0.018 0.472 169 K N -1.328 119.127 120.400 0.092 0.000 2.211 169 K HA -0.261 4.146 4.320 0.145 0.000 0.203 169 K C 2.104 178.738 176.600 0.058 0.000 1.050 169 K CA 2.874 59.219 56.287 0.096 0.000 0.945 169 K CB 0.027 32.573 32.500 0.077 0.000 0.732 169 K HN 0.177 8.473 8.250 0.077 0.000 0.451 170 S N -1.342 114.369 115.700 0.018 0.000 2.436 170 S HA -0.152 4.321 4.470 0.005 0.000 0.228 170 S C 1.073 175.637 174.600 -0.059 0.000 1.014 170 S CA 2.386 60.581 58.200 -0.010 0.000 0.950 170 S CB 0.014 63.204 63.200 -0.016 0.000 0.784 170 S HN -0.351 7.852 8.310 0.017 0.117 0.504 171 A N 0.788 123.533 122.820 -0.124 0.000 1.898 171 A HA -0.073 4.071 4.320 -0.293 0.000 0.214 171 A C -0.369 176.920 177.584 -0.491 0.000 1.183 171 A CA 2.026 53.844 52.037 -0.365 0.000 0.622 171 A CB 1.093 19.773 19.000 -0.534 0.000 0.824 171 A HN -0.581 7.402 8.150 -0.075 0.122 0.444 172 Y N -4.780 115.559 120.300 0.064 0.000 2.726 172 Y HA 0.418 5.047 4.550 0.131 0.000 0.367 172 Y C -2.302 173.661 175.900 0.105 0.000 1.038 172 Y CA -4.299 53.875 58.100 0.123 0.000 1.174 172 Y CB -0.653 37.922 38.460 0.192 0.000 1.265 172 Y HN -0.365 7.927 8.280 0.020 0.000 0.622 173 P HA -0.056 4.562 4.420 0.107 -0.135 0.265 173 P C 1.009 178.382 177.300 0.122 0.000 1.193 173 P CA 0.897 64.065 63.100 0.113 0.000 0.765 173 P CB 0.180 31.918 31.700 0.064 0.000 0.823 174 G N 4.050 112.911 108.800 0.101 0.000 2.196 174 G HA2 -0.376 3.622 3.960 0.064 0.000 0.268 174 G HA3 -0.376 3.620 3.960 0.060 0.000 0.268 174 G C 0.226 175.182 174.900 0.092 0.000 0.975 174 G CA 0.732 45.879 45.100 0.078 0.000 0.648 174 G HN 0.574 8.921 8.290 0.094 0.000 0.538 175 Q N -1.932 117.962 119.800 0.157 0.000 2.247 175 Q HA 0.077 4.455 4.340 0.063 0.000 0.211 175 Q C -0.554 175.583 176.000 0.228 0.000 0.861 175 Q CA -0.339 55.559 55.803 0.160 0.000 0.949 175 Q CB 1.191 30.066 28.738 0.227 0.000 1.115 175 Q HN -0.259 8.063 8.270 0.206 0.072 0.507 176 I N 0.138 120.834 120.570 0.211 0.000 2.336 176 I HA 0.106 4.423 4.170 0.245 0.000 0.292 176 I C -0.312 175.883 176.117 0.129 0.000 0.991 176 I CA -2.449 58.968 61.300 0.194 0.000 1.227 176 I CB -0.558 37.550 38.000 0.179 0.000 1.366 176 I HN -0.484 7.838 8.210 0.187 0.000 0.466 177 T N 2.236 116.862 114.554 0.120 0.000 2.910 177 T HA 0.365 4.754 4.350 0.066 0.000 0.279 177 T C 0.770 175.519 174.700 0.082 0.000 0.989 177 T CA -2.099 60.050 62.100 0.081 0.000 0.968 177 T CB 2.179 71.085 68.868 0.065 0.000 1.135 177 T HN -0.405 7.923 8.240 0.146 0.000 0.562 178 S N -2.313 113.421 115.700 0.056 0.000 2.603 178 S HA -0.186 4.322 4.470 0.063 0.000 0.229 178 S C -0.091 174.546 174.600 0.061 0.000 0.972 178 S CA 1.704 59.934 58.200 0.050 0.000 0.935 178 S CB -0.176 63.035 63.200 0.017 0.000 0.769 178 S HN 0.244 8.578 8.310 0.040 0.000 0.536 179 N N -0.104 118.644 118.700 0.081 0.000 2.251 179 N HA 0.135 4.933 4.740 0.096 0.000 0.217 179 N C -1.819 173.799 175.510 0.180 0.000 1.124 179 N CA -0.288 52.838 53.050 0.127 0.000 0.843 179 N CB 0.949 39.534 38.487 0.163 0.000 1.024 179 N HN -0.637 7.710 8.380 0.080 0.081 0.501 180 M N -1.022 118.672 119.600 0.156 0.000 2.572 180 M HA 0.881 5.629 4.480 0.067 -0.227 0.299 180 M C -2.348 174.058 176.300 0.176 0.000 1.205 180 M CA -0.443 54.925 55.300 0.113 0.000 0.876 180 M CB 5.056 37.712 32.600 0.093 0.000 1.728 180 M HN -0.779 7.506 8.290 0.141 0.090 0.458 181 F N -5.847 114.151 119.950 0.080 0.000 2.645 181 F HA 0.604 5.163 4.527 0.054 0.000 0.310 181 F C -2.835 173.018 175.800 0.088 0.000 1.102 181 F CA -1.763 56.279 58.000 0.071 0.000 0.952 181 F CB 2.395 41.432 39.000 0.062 0.000 1.326 181 F HN 0.021 8.187 8.300 -0.224 0.000 0.456 182 c N -0.317 118.482 118.600 0.332 0.000 2.391 182 c HA 0.988 5.823 4.570 0.125 -0.190 0.339 182 c C -1.053 173.253 174.090 0.361 0.000 1.205 182 c CA -1.078 55.389 56.329 0.229 0.000 1.937 182 c CB 2.812 45.411 42.510 0.147 0.000 2.341 182 c HN 0.853 9.293 8.230 0.350 0.000 0.516 183 A N 3.027 126.038 122.820 0.318 0.000 2.499 183 A HA 0.661 5.188 4.320 0.094 -0.151 0.280 183 A C -2.305 175.333 177.584 0.090 0.000 1.135 183 A CA -0.511 51.620 52.037 0.157 0.000 0.744 183 A CB 2.553 21.564 19.000 0.020 0.000 1.213 183 A HN 0.341 8.712 8.150 0.369 0.000 0.434 184 Y N 2.864 123.198 120.300 0.056 0.000 2.425 184 Y HA 0.078 4.648 4.550 0.033 0.000 0.347 184 Y C 0.847 176.764 175.900 0.028 0.000 0.976 184 Y CA -0.422 57.700 58.100 0.037 0.000 1.190 184 Y CB 0.437 38.918 38.460 0.034 0.000 1.136 184 Y HN 0.262 8.692 8.280 0.249 0.000 0.517 185 L N 3.753 125.038 121.223 0.103 0.000 2.362 185 L HA -0.290 4.078 4.340 0.047 0.000 0.219 185 L C 0.937 177.849 176.870 0.071 0.000 1.134 185 L CA 2.078 56.954 54.840 0.060 0.000 0.807 185 L CB -0.405 41.667 42.059 0.022 0.000 0.927 185 L HN 0.531 8.800 8.230 0.064 0.000 0.447 186 E N -2.065 118.197 120.200 0.103 0.000 2.481 186 E HA -0.070 4.309 4.350 0.048 0.000 0.195 186 E C 0.766 177.404 176.600 0.064 0.000 1.047 186 E CA -0.090 56.352 56.400 0.070 0.000 0.867 186 E CB -0.554 29.186 29.700 0.067 0.000 0.858 186 E HN 0.052 8.450 8.360 0.153 0.055 0.513 187 G N 0.888 109.743 108.800 0.092 0.000 3.405 187 G HA2 -0.387 3.655 3.960 0.088 0.000 0.676 187 G HA3 -0.387 3.602 3.960 0.049 0.000 0.676 187 G C -0.759 174.168 174.900 0.044 0.000 1.039 187 G CA -0.138 45.005 45.100 0.071 0.000 0.855 187 G HN -0.460 7.736 8.290 0.135 0.174 0.443 188 K N 1.662 122.052 120.400 -0.017 0.000 6.706 188 K HA -0.602 3.865 4.320 -0.008 -0.152 0.669 188 K C -1.229 175.456 176.600 0.142 0.000 2.465 188 K CA 0.613 56.898 56.287 -0.003 0.000 1.801 188 K CB -0.079 32.300 32.500 -0.202 0.000 1.883 188 K HN 0.210 8.474 8.250 0.023 0.000 0.285 189 D N 0.285 120.761 120.400 0.127 0.000 2.769 189 D HA 0.273 5.045 4.640 0.220 0.000 0.309 189 D C -1.949 174.427 176.300 0.128 0.000 1.315 189 D CA -0.632 53.465 54.000 0.161 0.000 0.780 189 D CB 4.189 45.069 40.800 0.132 0.000 1.312 189 D HN 0.293 8.712 8.370 0.081 0.000 0.437 190 S N -1.855 113.934 115.700 0.149 0.000 2.707 190 S HA 0.361 4.948 4.470 0.103 -0.055 0.276 190 S C -1.392 173.265 174.600 0.095 0.000 1.179 190 S CA -0.638 57.639 58.200 0.129 0.000 0.992 190 S CB 1.890 65.205 63.200 0.193 0.000 1.030 190 S HN 0.266 8.683 8.310 0.178 0.000 0.554 191 c N -1.720 116.940 118.600 0.100 0.000 3.292 191 c HA 0.307 4.928 4.570 0.084 0.000 0.369 191 c C -1.480 172.697 174.090 0.145 0.000 1.664 191 c CA -0.731 55.657 56.329 0.098 0.000 1.204 191 c CB 2.733 45.285 42.510 0.070 0.000 1.978 191 c HN 0.258 8.859 8.230 0.116 -0.301 0.435 192 Q N 1.805 121.704 119.800 0.166 0.000 2.315 192 Q HA -0.257 4.210 4.340 0.212 0.000 0.289 192 Q C 0.728 176.929 176.000 0.335 0.000 1.044 192 Q CA 2.143 58.087 55.803 0.233 0.000 0.920 192 Q CB 0.631 29.511 28.738 0.236 0.000 1.214 192 Q HN 0.594 8.944 8.270 0.133 0.000 0.392 193 G N 6.561 115.553 108.800 0.320 0.000 2.254 193 G HA2 -0.421 3.711 3.960 0.287 0.000 0.225 193 G HA3 -0.421 3.841 3.960 0.503 0.000 0.225 193 G C 0.601 175.735 174.900 0.391 0.000 1.003 193 G CA 0.980 46.310 45.100 0.383 0.000 0.622 193 G HN 0.774 9.227 8.290 0.273 0.000 0.507 194 D N 1.837 122.410 120.400 0.288 0.000 2.305 194 D HA 0.034 4.826 4.640 0.252 0.000 0.206 194 D C 0.286 176.698 176.300 0.187 0.000 0.974 194 D CA 1.277 55.413 54.000 0.226 0.000 0.871 194 D CB 0.543 41.443 40.800 0.167 0.000 0.947 194 D HN -0.239 8.181 8.370 0.264 0.109 0.516 195 S N -0.603 115.209 115.700 0.188 0.000 2.643 195 S HA -0.616 4.080 4.470 0.167 -0.126 0.310 195 S C 0.928 175.553 174.600 0.042 0.000 1.253 195 S CA 2.711 61.005 58.200 0.157 0.000 1.047 195 S CB 0.190 63.560 63.200 0.285 0.000 0.767 195 S HN -0.375 8.066 8.310 0.217 0.000 0.498 196 G N 4.477 113.276 108.800 -0.003 0.000 2.253 196 G HA2 -0.464 3.545 3.960 -0.054 0.000 0.251 196 G HA3 -0.464 3.560 3.960 -0.070 -0.106 0.251 196 G C -0.308 174.622 174.900 0.050 0.000 0.998 196 G CA 0.190 45.273 45.100 -0.028 0.000 0.621 196 G HN 0.680 8.885 8.290 0.028 0.102 0.524 197 G N 0.712 109.570 108.800 0.096 0.000 2.588 197 G HA2 0.403 4.509 3.960 0.121 0.000 0.281 197 G HA3 0.403 4.439 3.960 0.126 0.000 0.281 197 G C -2.697 172.287 174.900 0.140 0.000 1.236 197 G CA -2.092 43.081 45.100 0.123 0.000 0.969 197 G HN -0.377 7.885 8.290 0.106 0.091 0.504 198 P HA 0.306 4.924 4.420 0.129 -0.120 0.282 198 P C -1.638 175.733 177.300 0.118 0.000 1.249 198 P CA -0.791 62.400 63.100 0.152 0.000 0.806 198 P CB 1.430 33.273 31.700 0.239 0.000 0.984 199 V N 3.166 123.130 119.914 0.082 0.000 2.357 199 V HA 0.248 4.521 4.120 -0.002 -0.154 0.281 199 V C -1.358 174.750 176.094 0.023 0.000 1.015 199 V CA -0.435 61.877 62.300 0.021 0.000 0.827 199 V CB 1.659 33.475 31.823 -0.012 0.000 1.018 199 V HN -0.154 8.088 8.190 0.088 0.000 0.432 200 V N 8.095 128.012 119.914 0.005 0.000 2.398 200 V HA 0.536 4.791 4.120 -0.074 -0.179 0.286 200 V C -1.367 174.707 176.094 -0.033 0.000 1.026 200 V CA -1.089 61.183 62.300 -0.048 0.000 0.868 200 V CB 2.628 34.396 31.823 -0.091 0.000 0.982 200 V HN 0.611 8.820 8.190 0.031 0.000 0.443 201 c N 8.142 126.710 118.600 -0.054 0.000 2.396 201 c HA 0.590 5.136 4.570 -0.039 0.000 0.321 201 c C 0.154 174.214 174.090 -0.051 0.000 1.233 201 c CA -1.248 55.048 56.329 -0.055 0.000 1.440 201 c CB 1.654 44.111 42.510 -0.088 0.000 2.110 201 c HN 0.625 8.816 8.230 -0.065 0.000 0.473 202 S N 5.571 121.251 115.700 -0.035 0.000 3.614 202 S HA -0.334 4.126 4.470 -0.017 0.000 0.360 202 S C 0.355 174.937 174.600 -0.031 0.000 1.023 202 S CA 0.947 59.130 58.200 -0.028 0.000 1.114 202 S CB -1.377 61.803 63.200 -0.035 0.000 0.907 202 S HN 1.133 9.427 8.310 -0.025 0.000 0.470 203 G N -5.204 103.576 108.800 -0.034 0.000 2.155 203 G HA2 -0.360 3.569 3.960 -0.052 0.000 0.257 203 G HA3 -0.360 3.582 3.960 -0.030 0.000 0.257 203 G C -0.826 174.023 174.900 -0.084 0.000 0.983 203 G CA 0.459 45.529 45.100 -0.050 0.000 0.676 203 G HN 0.339 8.606 8.290 -0.026 0.008 0.528 210 Q N 1.038 120.864 119.800 0.043 0.000 2.396 210 Q HA 0.212 4.602 4.340 0.083 0.000 0.220 210 Q C -0.200 175.980 176.000 0.300 0.000 0.900 210 Q CA 0.129 55.987 55.803 0.093 0.000 0.925 210 Q CB 2.743 31.456 28.738 -0.042 0.000 1.065 210 Q HN 0.275 8.559 8.270 0.023 0.000 0.535 211 G N -2.958 106.025 108.800 0.305 0.000 2.694 211 G HA2 0.602 5.051 3.960 0.393 0.000 0.290 211 G HA3 0.602 4.819 3.960 0.428 0.000 0.290 211 G C -3.262 171.759 174.900 0.202 0.000 1.386 211 G CA -0.673 44.640 45.100 0.355 0.000 0.872 211 G HN -0.335 8.068 8.290 0.187 0.000 0.475 212 I N -0.999 119.679 120.570 0.181 0.000 2.498 212 I HA 0.590 5.075 4.170 0.153 -0.223 0.290 212 I C -0.356 175.882 176.117 0.201 0.000 1.032 212 I CA -1.437 59.954 61.300 0.152 0.000 1.073 212 I CB 4.253 42.302 38.000 0.082 0.000 1.251 212 I HN -0.331 8.049 8.210 0.152 -0.079 0.426 213 V N 7.433 127.484 119.914 0.228 0.000 2.509 213 V HA -0.236 3.931 4.120 0.079 0.000 0.297 213 V C -1.124 174.984 176.094 0.024 0.000 1.014 213 V CA 2.258 64.641 62.300 0.138 0.000 1.127 213 V CB -0.960 30.971 31.823 0.180 0.000 0.925 213 V HN 0.549 8.753 8.190 0.201 0.107 0.480 214 S N 7.478 123.097 115.700 -0.136 0.000 3.393 214 S HA 0.325 4.998 4.470 0.339 0.000 0.209 214 S C -0.891 173.820 174.600 0.184 0.000 0.897 214 S CA 0.875 59.157 58.200 0.136 0.000 0.825 214 S CB 2.437 65.711 63.200 0.122 0.000 0.898 214 S HN -0.008 7.994 8.310 -0.513 0.000 0.615 215 W N -4.124 117.019 121.300 -0.263 0.000 3.069 215 W HA 0.287 4.835 4.660 -0.185 0.000 0.390 215 W C -2.779 173.571 176.519 -0.282 0.000 1.130 215 W CA -0.894 56.303 57.345 -0.246 0.000 1.138 215 W CB 0.671 29.982 29.460 -0.248 0.000 1.497 215 W HN -0.445 7.437 8.180 -0.496 0.000 0.600 216 G N -3.309 105.564 108.800 0.123 0.000 2.451 216 G HA2 0.087 3.777 3.960 -0.450 0.000 0.292 216 G HA3 0.087 3.997 3.960 -0.083 0.000 0.292 216 G C -2.066 172.960 174.900 0.209 0.000 1.427 216 G CA 0.243 45.302 45.100 -0.068 0.000 0.792 216 G HN -0.038 8.502 8.290 0.417 0.000 0.498 220 c N 1.786 120.428 118.600 0.069 0.000 3.359 220 c HA 0.308 5.066 4.570 0.072 -0.144 0.194 220 c C -1.406 172.720 174.090 0.060 0.000 1.659 220 c CA -1.049 55.319 56.329 0.065 0.000 1.338 220 c CB -1.498 41.043 42.510 0.052 0.000 2.109 220 c HN 0.322 8.588 8.230 0.060 0.000 0.518 221 Q N -2.124 117.715 119.800 0.064 0.000 2.920 221 Q HA 0.106 4.471 4.340 0.041 0.000 0.255 221 Q C -1.444 174.583 176.000 0.046 0.000 0.976 221 Q CA -0.896 54.937 55.803 0.050 0.000 0.862 221 Q CB 1.919 30.689 28.738 0.054 0.000 1.952 221 Q HN -0.058 8.257 8.270 0.075 0.000 0.489 222 K N 3.767 124.187 120.400 0.033 0.000 2.436 222 K HA -0.258 4.278 4.320 0.038 -0.193 0.275 222 K C 0.181 176.783 176.600 0.004 0.000 0.999 222 K CA 0.698 57.000 56.287 0.025 0.000 0.980 222 K CB 0.048 32.559 32.500 0.018 0.000 0.919 222 K HN 0.261 8.529 8.250 0.029 0.000 0.484 223 N N 1.306 120.002 118.700 -0.006 0.000 2.815 223 N HA -0.482 4.228 4.740 -0.050 0.000 0.247 223 N C -1.455 173.986 175.510 -0.115 0.000 1.030 223 N CA 1.733 54.750 53.050 -0.055 0.000 0.881 223 N CB -0.367 38.084 38.487 -0.060 0.000 1.134 223 N HN 0.766 9.020 8.380 0.013 0.133 0.582 224 K N -1.708 118.658 120.400 -0.055 0.000 2.606 224 K HA 0.540 4.685 4.320 -0.292 0.000 0.196 224 K C -2.272 174.386 176.600 0.097 0.000 1.048 224 K CA -3.546 52.716 56.287 -0.041 0.000 1.017 224 K CB -0.331 32.215 32.500 0.075 0.000 1.413 224 K HN -0.717 7.463 8.250 -0.000 0.070 0.568 225 P HA -0.039 4.451 4.420 0.116 0.000 0.273 225 P C -0.490 176.876 177.300 0.111 0.000 1.250 225 P CA -0.478 62.697 63.100 0.124 0.000 0.793 225 P CB 1.122 32.879 31.700 0.095 0.000 1.011 226 G N -2.077 106.756 108.800 0.055 0.000 2.503 226 G HA2 0.283 4.062 3.960 -0.302 0.000 0.257 226 G HA3 0.283 4.156 3.960 -0.144 0.000 0.257 226 G C -1.753 172.864 174.900 -0.473 0.000 1.214 226 G CA -0.613 44.358 45.100 -0.215 0.000 0.839 226 G HN -0.367 8.012 8.290 0.148 0.000 0.559 227 V N 1.810 121.104 119.914 -1.034 0.000 2.628 227 V HA 0.635 4.545 4.120 -0.610 -0.156 0.306 227 V C -0.881 174.474 176.094 -1.232 0.000 1.045 227 V CA -1.001 60.654 62.300 -1.075 0.000 0.905 227 V CB 2.496 33.215 31.823 -1.841 0.000 0.997 227 V HN 0.490 8.013 8.190 -1.113 0.000 0.436 228 Y N 4.013 123.907 120.300 -0.677 0.000 2.536 228 Y HA 0.523 4.974 4.550 -0.377 -0.127 0.347 228 Y C 0.149 175.751 175.900 -0.497 0.000 1.000 228 Y CA -2.111 55.594 58.100 -0.657 0.000 1.051 228 Y CB 4.091 41.880 38.460 -1.119 0.000 1.259 228 Y HN 0.941 8.868 8.280 -0.589 0.000 0.468 229 T N 4.345 118.849 114.554 -0.083 0.000 2.851 229 T HA 0.054 4.606 4.350 0.084 -0.152 0.298 229 T C -0.733 174.071 174.700 0.174 0.000 0.977 229 T CA 1.343 63.480 62.100 0.062 0.000 1.126 229 T CB 0.623 69.522 68.868 0.053 0.000 0.916 229 T HN 0.496 8.722 8.240 -0.024 0.000 0.529 230 K N 8.356 128.944 120.400 0.313 0.000 2.150 230 K HA 0.165 4.862 4.320 0.629 0.000 0.261 230 K C 1.002 177.848 176.600 0.410 0.000 1.127 230 K CA -0.818 55.734 56.287 0.442 0.000 0.989 230 K CB -0.365 32.356 32.500 0.369 0.000 1.475 230 K HN 0.185 8.508 8.250 0.292 0.103 0.391 231 V N 5.512 125.657 119.914 0.385 0.000 2.453 231 V HA -0.558 3.874 4.120 0.520 0.000 0.252 231 V C 1.506 177.770 176.094 0.284 0.000 1.068 231 V CA 3.918 66.439 62.300 0.369 0.000 1.070 231 V CB -0.407 31.557 31.823 0.236 0.000 0.664 231 V HN 0.146 8.564 8.190 0.379 0.000 0.461 232 c N -3.492 115.211 118.600 0.171 0.000 2.410 232 c HA -0.221 4.399 4.570 0.082 0.000 0.281 232 c C 1.857 175.965 174.090 0.030 0.000 1.318 232 c CA 1.663 58.041 56.329 0.082 0.000 1.776 232 c CB -2.087 40.444 42.510 0.036 0.000 1.942 232 c HN 0.448 8.763 8.230 0.176 0.021 0.508 233 N N 1.036 119.710 118.700 -0.043 0.000 2.457 233 N HA -0.119 4.510 4.740 -0.184 0.000 0.180 233 N C 0.452 175.695 175.510 -0.445 0.000 1.050 233 N CA 1.417 54.285 53.050 -0.304 0.000 0.906 233 N CB -0.243 37.914 38.487 -0.551 0.000 0.968 233 N HN -0.110 8.157 8.380 0.040 0.137 0.445 234 Y N -4.265 116.108 120.300 0.121 0.000 2.481 234 Y HA 0.140 4.838 4.550 0.247 0.000 0.247 234 Y C 0.532 176.572 175.900 0.234 0.000 1.151 234 Y CA -0.123 58.109 58.100 0.221 0.000 1.238 234 Y CB -0.030 38.588 38.460 0.263 0.000 1.179 234 Y HN -0.295 7.904 8.280 0.171 0.183 0.524 235 V N 1.031 121.091 119.914 0.243 0.000 2.392 235 V HA -0.563 3.654 4.120 0.162 0.000 0.249 235 V C 1.425 177.592 176.094 0.121 0.000 1.059 235 V CA 5.037 67.431 62.300 0.157 0.000 1.051 235 V CB -0.824 31.052 31.823 0.088 0.000 0.658 235 V HN -0.474 7.823 8.190 0.177 0.000 0.455 236 S N -0.328 115.447 115.700 0.125 0.000 2.383 236 S HA -0.294 4.198 4.470 0.037 0.000 0.227 236 S C 1.790 176.462 174.600 0.120 0.000 1.026 236 S CA 2.841 61.094 58.200 0.088 0.000 0.981 236 S CB -0.360 62.889 63.200 0.082 0.000 0.818 236 S HN -0.061 8.325 8.310 0.126 0.000 0.472 237 W N 4.518 125.860 121.300 0.070 0.000 2.355 237 W HA -0.153 4.535 4.660 0.046 0.000 0.309 237 W C 1.404 177.939 176.519 0.027 0.000 1.206 237 W CA 3.116 60.512 57.345 0.085 0.000 1.284 237 W CB -0.094 29.507 29.460 0.234 0.000 1.145 237 W HN -0.387 8.030 8.180 0.395 0.000 0.502 238 I N -0.983 119.555 120.570 -0.053 0.000 2.142 238 I HA -0.759 2.993 4.170 -0.696 0.000 0.240 238 I C 1.908 177.791 176.117 -0.390 0.000 1.078 238 I CA 4.582 65.684 61.300 -0.329 0.000 1.343 238 I CB -0.256 37.724 38.000 -0.034 0.000 1.046 238 I HN 0.288 8.675 8.210 0.294 0.000 0.405 239 K N -1.012 119.257 120.400 -0.218 0.000 2.026 239 K HA -0.426 3.744 4.320 -0.250 0.000 0.208 239 K C 2.736 179.188 176.600 -0.247 0.000 1.048 239 K CA 3.777 59.938 56.287 -0.211 0.000 0.929 239 K CB -0.351 32.086 32.500 -0.106 0.000 0.713 239 K HN -0.207 7.980 8.250 -0.106 0.000 0.439 240 Q N -1.774 117.896 119.800 -0.217 0.000 2.050 240 Q HA -0.332 3.921 4.340 -0.145 0.000 0.202 240 Q C 2.673 178.494 176.000 -0.298 0.000 0.980 240 Q CA 3.512 59.198 55.803 -0.195 0.000 0.840 240 Q CB 0.012 28.681 28.738 -0.115 0.000 0.898 240 Q HN 0.275 8.334 8.270 -0.171 0.109 0.424 241 T N 2.641 116.896 114.554 -0.498 0.000 2.708 241 T HA -0.278 3.843 4.350 -0.381 0.000 0.266 241 T C 2.469 176.848 174.700 -0.534 0.000 1.037 241 T CA 4.919 66.683 62.100 -0.560 0.000 1.146 241 T CB -0.185 68.099 68.868 -0.973 0.000 0.865 241 T HN 0.097 7.865 8.240 -0.607 0.108 0.435 242 I N 1.001 121.144 120.570 -0.712 0.000 2.286 242 I HA -0.447 2.974 4.170 -1.249 0.000 0.248 242 I C 1.734 177.628 176.117 -0.371 0.000 1.115 242 I CA 3.665 64.440 61.300 -0.876 0.000 1.392 242 I CB -0.394 36.992 38.000 -1.024 0.000 1.065 242 I HN 0.082 7.870 8.210 -0.703 0.000 0.418 243 A N -0.452 122.204 122.820 -0.272 0.000 1.972 243 A HA -0.209 4.051 4.320 -0.100 0.000 0.219 243 A C 1.258 178.793 177.584 -0.082 0.000 1.169 243 A CA 2.769 54.724 52.037 -0.135 0.000 0.635 243 A CB -0.429 18.500 19.000 -0.117 0.000 0.810 243 A HN 0.074 8.026 8.150 -0.316 0.008 0.446 244 S N -4.722 110.918 115.700 -0.100 0.000 2.577 244 S HA 0.088 4.545 4.470 -0.021 0.000 0.219 244 S C -0.967 173.640 174.600 0.012 0.000 0.962 244 S CA 0.680 58.856 58.200 -0.040 0.000 0.921 244 S CB 0.839 64.008 63.200 -0.051 0.000 0.789 244 S HN -0.387 7.699 8.310 -0.165 0.125 0.497 245 N N 0.000 118.737 118.700 0.062 0.000 1.763 245 N HA 0.000 4.816 4.740 0.126 0.000 0.220 245 N CA 0.000 53.163 53.050 0.189 0.000 0.885 245 N CB 0.000 38.671 38.487 0.307 0.000 1.341 245 N HN 0.000 8.237 8.380 0.025 0.158 0.667