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 1o2o_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 4.189 4.170 0.032 0.000 0.288 16 I C 0.000 176.113 176.117 -0.006 0.000 1.063 16 I CA 0.000 61.301 61.300 0.002 0.000 1.566 16 I CB 0.000 37.965 38.000 -0.059 0.000 1.214 17 V N 5.211 125.131 119.914 0.011 0.000 2.483 17 V HA 0.279 4.532 4.120 -0.011 -0.140 0.295 17 V C 0.635 176.732 176.094 0.005 0.000 1.035 17 V CA -1.719 60.583 62.300 0.003 0.000 0.896 17 V CB 1.341 33.172 31.823 0.014 0.000 0.986 17 V HN 0.840 9.050 8.190 0.033 0.000 0.447 18 G N 6.569 115.367 108.800 -0.005 0.000 2.179 18 G HA2 -0.406 3.549 3.960 -0.009 0.000 0.257 18 G HA3 -0.406 3.690 3.960 -0.024 -0.151 0.257 18 G C -0.750 174.157 174.900 0.011 0.000 1.010 18 G CA 0.629 45.724 45.100 -0.009 0.000 0.736 18 G HN 0.795 9.080 8.290 -0.008 0.000 0.513 19 G N -1.259 107.544 108.800 0.006 0.000 2.702 19 G HA2 0.531 4.511 3.960 0.073 0.000 0.254 19 G HA3 0.531 4.518 3.960 -0.108 -0.091 0.254 19 G C -1.812 173.118 174.900 0.050 0.000 1.380 19 G CA -1.109 43.987 45.100 -0.006 0.000 1.042 19 G HN -0.660 7.595 8.290 -0.012 0.028 0.557 20 Y N -6.245 114.037 120.300 -0.030 0.000 2.609 20 Y HA 0.374 4.908 4.550 -0.027 0.000 0.342 20 Y C -1.766 174.109 175.900 -0.042 0.000 1.058 20 Y CA -2.768 55.313 58.100 -0.031 0.000 1.055 20 Y CB 1.142 39.586 38.460 -0.026 0.000 1.292 20 Y HN 0.411 8.152 8.280 -0.717 0.109 0.476 21 T N 2.463 117.075 114.554 0.096 0.000 2.853 21 T HA 0.054 4.491 4.350 -0.092 -0.142 0.298 21 T C 0.230 174.961 174.700 0.053 0.000 0.978 21 T CA 1.267 63.372 62.100 0.008 0.000 1.152 21 T CB -0.050 68.847 68.868 0.048 0.000 0.914 21 T HN 0.025 8.367 8.240 0.170 0.000 0.539 22 c N 6.217 124.759 118.600 -0.097 0.000 2.440 22 c HA -0.055 4.546 4.570 0.051 0.000 0.278 22 c C 0.360 174.469 174.090 0.032 0.000 1.295 22 c CA 0.765 57.068 56.329 -0.044 0.000 1.738 22 c CB 0.085 42.493 42.510 -0.169 0.000 1.987 22 c HN 0.242 8.362 8.230 -0.184 0.000 0.492 23 G N -1.927 106.877 108.800 0.008 0.000 3.069 23 G HA2 -0.245 3.731 3.960 0.027 0.000 0.686 23 G HA3 -0.245 3.733 3.960 0.031 0.000 0.686 23 G C -1.673 173.228 174.900 0.001 0.000 1.161 23 G CA -0.785 44.327 45.100 0.021 0.000 0.804 23 G HN -0.467 7.813 8.290 -0.016 0.000 0.608 24 A N 4.565 127.394 122.820 0.014 0.000 2.540 24 A HA -0.216 4.308 4.320 0.023 -0.190 0.239 24 A C -0.256 177.332 177.584 0.007 0.000 1.061 24 A CA 1.024 53.073 52.037 0.019 0.000 0.758 24 A CB 0.217 19.236 19.000 0.032 0.000 0.991 24 A HN 0.267 8.430 8.150 0.022 0.000 0.502 25 N N -3.245 115.456 118.700 0.002 0.000 2.693 25 N HA -0.360 4.368 4.740 -0.019 0.000 0.249 25 N C 0.616 176.105 175.510 -0.035 0.000 1.119 25 N CA 1.726 54.768 53.050 -0.013 0.000 0.717 25 N CB -0.770 37.722 38.487 0.007 0.000 1.071 25 N HN 0.427 8.816 8.380 0.014 0.000 0.555 26 T N -3.462 111.063 114.554 -0.048 0.000 3.088 26 T HA -0.016 4.324 4.350 -0.016 0.000 0.259 26 T C 0.072 174.717 174.700 -0.092 0.000 1.122 26 T CA 2.191 64.268 62.100 -0.039 0.000 1.095 26 T CB 0.380 69.240 68.868 -0.013 0.000 0.930 26 T HN -0.456 7.717 8.240 -0.051 0.036 0.508 27 V N 2.314 122.113 119.914 -0.192 0.000 2.271 27 V HA 0.388 4.237 4.120 -0.452 0.000 0.259 27 V C -1.520 174.278 176.094 -0.494 0.000 1.030 27 V CA -3.354 58.676 62.300 -0.449 0.000 0.957 27 V CB 0.364 31.891 31.823 -0.494 0.000 1.186 27 V HN -0.496 7.530 8.190 -0.162 0.067 0.471 28 P HA 0.064 4.544 4.420 -0.083 -0.109 0.230 28 P C 0.104 177.363 177.300 -0.069 0.000 1.158 28 P CA 1.549 64.581 63.100 -0.113 0.000 0.769 28 P CB 0.083 31.785 31.700 0.004 0.000 0.807 29 Y N -6.057 114.267 120.300 0.039 0.000 2.500 29 Y HA 0.485 5.218 4.550 0.054 -0.151 0.270 29 Y C -0.353 175.582 175.900 0.058 0.000 1.134 29 Y CA -2.991 55.138 58.100 0.048 0.000 1.293 29 Y CB -1.044 37.440 38.460 0.040 0.000 1.063 29 Y HN -0.407 7.316 8.280 -0.835 0.056 0.534 30 Q N 2.702 122.383 119.800 -0.199 0.000 2.332 30 Q HA 0.145 4.682 4.340 0.099 -0.138 0.263 30 Q C -0.270 175.808 176.000 0.131 0.000 0.979 30 Q CA 0.449 56.237 55.803 -0.025 0.000 0.885 30 Q CB 1.071 29.686 28.738 -0.205 0.000 1.218 30 Q HN -0.697 7.203 8.270 -0.534 0.050 0.405 31 V N 0.543 120.573 119.914 0.195 0.000 3.074 31 V HA 0.831 5.191 4.120 0.195 -0.123 0.314 31 V C -2.010 174.235 176.094 0.251 0.000 1.117 31 V CA -2.914 59.498 62.300 0.186 0.000 1.014 31 V CB 4.030 35.912 31.823 0.098 0.000 1.057 31 V HN 0.157 8.459 8.190 0.186 0.000 0.438 32 S N 0.465 116.222 115.700 0.095 0.000 2.473 32 S HA 0.437 5.140 4.470 0.213 -0.106 0.307 32 S C -1.109 173.382 174.600 -0.183 0.000 1.094 32 S CA -2.082 56.112 58.200 -0.011 0.000 1.070 32 S CB 1.785 64.767 63.200 -0.363 0.000 1.019 32 S HN -0.063 8.259 8.310 0.021 0.000 0.480 33 L N 6.958 127.943 121.223 -0.397 0.000 2.282 33 L HA 0.467 4.719 4.340 -0.334 -0.112 0.288 33 L C -1.658 174.832 176.870 -0.634 0.000 1.033 33 L CA -0.780 53.715 54.840 -0.576 0.000 0.807 33 L CB 1.061 42.550 42.059 -0.950 0.000 1.209 33 L HN 0.777 8.723 8.230 -0.474 0.000 0.423 38 G N 0.847 109.537 108.800 -0.184 0.000 2.179 38 G HA2 -0.343 3.599 3.960 -0.031 0.000 0.220 38 G HA3 -0.343 3.668 3.960 0.086 0.000 0.220 38 G C -1.840 173.141 174.900 0.136 0.000 0.990 38 G CA 0.239 45.341 45.100 0.003 0.000 0.646 38 G HN 0.336 8.786 8.290 -0.209 -0.286 0.517 39 Y N -7.133 113.136 120.300 -0.053 0.000 2.662 39 Y HA 0.218 4.731 4.550 -0.062 0.000 0.334 39 Y C -2.441 173.453 175.900 -0.010 0.000 1.185 39 Y CA -3.591 54.483 58.100 -0.045 0.000 1.074 39 Y CB 0.599 39.029 38.460 -0.049 0.000 1.330 39 Y HN -1.179 6.893 8.280 -0.389 -0.025 0.458 40 H N 2.912 121.939 119.070 -0.072 0.000 2.848 40 H HA -0.019 4.514 4.556 -0.290 -0.151 0.317 40 H C -0.460 174.844 175.328 -0.039 0.000 1.046 40 H CA -0.107 55.832 56.048 -0.182 0.000 1.470 40 H CB 0.276 29.904 29.762 -0.224 0.000 1.483 40 H HN 0.322 8.695 8.280 0.155 0.000 0.548 41 F N 2.296 121.752 119.950 -0.822 0.000 2.784 41 F HA 0.313 4.691 4.527 -0.247 0.000 0.316 41 F C -1.452 174.060 175.800 -0.480 0.000 1.026 41 F CA -0.597 57.123 58.000 -0.466 0.000 1.188 41 F CB 1.488 40.293 39.000 -0.325 0.000 0.999 41 F HN 0.087 7.718 8.300 -1.115 0.000 0.605 42 c N -1.756 116.141 118.600 -1.172 0.000 3.318 42 c HA 0.370 4.943 4.570 -0.249 -0.153 0.322 42 c C -1.536 172.347 174.090 -0.346 0.000 1.398 42 c CA -0.305 55.681 56.329 -0.573 0.000 1.339 42 c CB 4.172 46.386 42.510 -0.493 0.000 1.668 42 c HN -0.833 6.397 8.230 -1.666 0.000 0.462 43 G N -1.086 107.691 108.800 -0.039 0.000 2.613 43 G HA2 0.799 5.028 3.960 0.219 0.000 0.303 43 G HA3 0.799 4.873 3.960 0.190 0.000 0.303 43 G C -2.484 172.429 174.900 0.021 0.000 1.312 43 G CA -1.619 43.553 45.100 0.120 0.000 1.036 43 G HN 0.808 8.971 8.290 -0.032 0.108 0.513 44 G N -4.091 104.758 108.800 0.081 0.000 2.559 44 G HA2 0.531 4.799 3.960 0.058 0.000 0.291 44 G HA3 0.531 4.515 3.960 0.039 0.000 0.291 44 G C -2.913 172.065 174.900 0.130 0.000 1.424 44 G CA 0.282 45.423 45.100 0.070 0.000 0.786 44 G HN -0.597 7.777 8.290 0.139 0.000 0.485 45 S N -0.350 115.433 115.700 0.138 0.000 2.532 45 S HA 0.692 5.496 4.470 0.259 -0.179 0.299 45 S C -1.261 173.438 174.600 0.166 0.000 1.105 45 S CA -0.834 57.480 58.200 0.191 0.000 1.018 45 S CB 3.558 66.853 63.200 0.160 0.000 1.021 45 S HN 0.368 8.746 8.310 0.114 0.000 0.483 46 L N 6.556 127.895 121.223 0.192 0.000 2.361 46 L HA 0.100 4.639 4.340 0.145 -0.112 0.278 46 L C -0.734 176.222 176.870 0.143 0.000 1.113 46 L CA 0.053 54.989 54.840 0.159 0.000 0.849 46 L CB 0.824 42.976 42.059 0.156 0.000 1.155 46 L HN 0.616 8.884 8.230 0.251 0.112 0.452 47 I N 0.214 120.866 120.570 0.137 0.000 4.035 47 I HA 0.458 4.812 4.170 0.074 -0.139 0.321 47 I C -0.905 175.275 176.117 0.106 0.000 1.289 47 I CA -0.384 60.977 61.300 0.101 0.000 1.236 47 I CB 1.180 39.229 38.000 0.082 0.000 1.076 47 I HN 0.366 8.675 8.210 0.164 0.000 0.418 48 N N -1.496 117.291 118.700 0.145 0.000 3.106 48 N HA 0.117 4.916 4.740 0.099 0.000 0.253 48 N C -0.429 175.161 175.510 0.134 0.000 1.506 48 N CA -0.684 52.446 53.050 0.133 0.000 0.876 48 N CB 1.488 40.066 38.487 0.153 0.000 1.452 48 N HN -0.794 7.690 8.380 0.174 0.000 0.542 49 S N -3.493 112.271 115.700 0.106 0.000 2.547 49 S HA -0.244 4.269 4.470 0.070 0.000 0.235 49 S C 0.439 175.070 174.600 0.050 0.000 0.980 49 S CA 2.379 60.623 58.200 0.074 0.000 0.941 49 S CB -0.413 62.819 63.200 0.054 0.000 0.763 49 S HN 0.503 8.872 8.310 0.098 0.000 0.532 50 Q N -0.578 119.264 119.800 0.069 0.000 2.164 50 Q HA 0.335 4.605 4.340 -0.117 0.000 0.226 50 Q C -2.176 173.673 176.000 -0.252 0.000 0.813 50 Q CA -0.539 55.200 55.803 -0.107 0.000 0.978 50 Q CB 2.520 31.174 28.738 -0.141 0.000 1.149 50 Q HN 0.090 8.763 8.270 0.169 -0.303 0.489 51 W N -2.079 119.228 121.300 0.012 0.000 2.915 51 W HA 0.679 5.540 4.660 0.009 -0.196 0.337 51 W C -1.400 175.132 176.519 0.023 0.000 1.102 51 W CA -0.983 56.368 57.345 0.010 0.000 1.224 51 W CB 3.890 33.347 29.460 -0.005 0.000 1.416 51 W HN -0.627 7.779 8.180 0.239 -0.083 0.503 52 V N 0.981 121.052 119.914 0.262 0.000 2.823 52 V HA 0.746 5.133 4.120 0.167 -0.166 0.312 52 V C -1.537 174.667 176.094 0.184 0.000 1.072 52 V CA -1.737 60.668 62.300 0.176 0.000 0.937 52 V CB 3.808 35.693 31.823 0.102 0.000 1.013 52 V HN 0.660 9.020 8.190 0.283 0.000 0.430 53 V N 5.287 125.286 119.914 0.143 0.000 2.513 53 V HA 0.719 5.092 4.120 0.153 -0.161 0.299 53 V C -1.270 174.878 176.094 0.090 0.000 1.035 53 V CA -1.282 61.095 62.300 0.129 0.000 0.889 53 V CB 2.330 34.222 31.823 0.114 0.000 0.988 53 V HN 0.515 8.784 8.190 0.131 0.000 0.440 54 S N 3.950 119.689 115.700 0.065 0.000 2.903 54 S HA 0.562 5.247 4.470 0.022 -0.201 0.314 54 S C -2.023 172.566 174.600 -0.019 0.000 1.177 54 S CA -2.628 55.581 58.200 0.015 0.000 0.859 54 S CB 2.500 65.692 63.200 -0.013 0.000 1.265 54 S HN 0.562 8.921 8.310 0.082 0.000 0.584 55 A N -0.564 122.208 122.820 -0.081 0.000 2.306 55 A HA 0.463 4.889 4.320 -0.087 -0.159 0.314 55 A C 0.691 178.163 177.584 -0.186 0.000 1.164 55 A CA -1.634 50.328 52.037 -0.126 0.000 0.822 55 A CB 1.576 20.472 19.000 -0.173 0.000 1.130 55 A HN 0.265 8.351 8.150 -0.107 0.000 0.496 56 A N 4.548 127.201 122.820 -0.279 0.000 1.978 56 A HA -0.232 3.944 4.320 -0.239 0.000 0.220 56 A C 1.656 179.013 177.584 -0.378 0.000 1.170 56 A CA 3.061 54.811 52.037 -0.478 0.000 0.636 56 A CB -0.540 17.738 19.000 -1.203 0.000 0.810 56 A HN 0.669 8.659 8.150 -0.267 -0.000 0.448 57 H N -5.032 113.878 119.070 -0.266 0.000 2.563 57 H HA -0.062 4.535 4.556 0.067 0.000 0.272 57 H C 0.040 175.420 175.328 0.086 0.000 1.005 57 H CA 1.220 57.277 56.048 0.016 0.000 1.171 57 H CB -1.262 28.578 29.762 0.131 0.000 1.351 57 H HN -0.070 8.419 8.280 -0.131 -0.288 0.602 58 c N -1.461 117.051 118.600 -0.147 0.000 2.906 58 c HA 0.012 4.635 4.570 0.089 0.000 0.274 58 c C -1.081 173.085 174.090 0.127 0.000 1.257 58 c CA -0.057 56.273 56.329 0.002 0.000 1.695 58 c CB -1.295 41.161 42.510 -0.089 0.000 1.958 58 c HN -0.628 7.306 8.230 -0.190 0.183 0.619 59 Y N 2.466 122.769 120.300 0.005 0.000 2.578 59 Y HA -0.169 4.403 4.550 0.038 0.000 0.339 59 Y C -1.544 174.353 175.900 -0.005 0.000 1.231 59 Y CA 1.507 59.615 58.100 0.014 0.000 1.461 59 Y CB 1.139 39.590 38.460 -0.016 0.000 1.323 59 Y HN -0.407 7.773 8.280 0.146 0.187 0.590 60 K N 4.440 123.943 120.400 -1.494 0.000 2.931 60 K HA 0.144 3.958 4.320 -0.842 0.000 0.292 60 K C -2.589 173.473 176.600 -0.897 0.000 1.077 60 K CA -0.935 54.745 56.287 -1.011 0.000 0.829 60 K CB 1.818 33.964 32.500 -0.590 0.000 1.488 60 K HN -0.012 7.104 8.250 -1.889 0.000 0.358 61 S N -0.527 114.898 115.700 -0.459 0.000 2.713 61 S HA 0.137 4.464 4.470 -0.239 0.000 0.283 61 S C 0.720 175.198 174.600 -0.204 0.000 1.161 61 S CA -0.454 57.601 58.200 -0.243 0.000 0.999 61 S CB 1.326 64.476 63.200 -0.084 0.000 1.039 61 S HN -0.174 7.931 8.310 -0.342 0.000 0.548 62 G N -0.041 108.680 108.800 -0.132 0.000 2.289 62 G HA2 -0.251 3.657 3.960 -0.086 0.000 0.280 62 G HA3 -0.251 3.635 3.960 -0.124 0.000 0.280 62 G C -1.662 173.161 174.900 -0.129 0.000 1.089 62 G CA 0.170 45.200 45.100 -0.118 0.000 0.939 62 G HN 0.301 8.532 8.290 -0.098 0.000 0.499 63 I N -1.417 119.092 120.570 -0.101 0.000 2.437 63 I HA 0.113 4.265 4.170 -0.030 0.000 0.298 63 I C -1.724 174.352 176.117 -0.068 0.000 0.984 63 I CA -0.960 60.308 61.300 -0.053 0.000 1.214 63 I CB 1.410 39.402 38.000 -0.012 0.000 1.365 63 I HN -0.513 7.640 8.210 -0.095 0.000 0.469 64 Q N 6.027 125.773 119.800 -0.089 0.000 3.304 64 Q HA 0.617 5.006 4.340 -0.082 -0.098 0.269 64 Q C -1.688 174.228 176.000 -0.140 0.000 1.025 64 Q CA -2.017 53.717 55.803 -0.115 0.000 0.836 64 Q CB 4.391 33.028 28.738 -0.168 0.000 1.831 64 Q HN 0.479 8.698 8.270 -0.084 0.000 0.455 65 R N -2.287 118.155 120.500 -0.097 0.000 3.008 65 R HA 0.407 4.991 4.340 0.129 -0.167 0.284 65 R C -1.453 174.885 176.300 0.063 0.000 1.187 65 R CA 0.101 56.184 56.100 -0.028 0.000 1.139 65 R CB 2.409 32.553 30.300 -0.261 0.000 1.273 65 R HN 0.532 8.728 8.270 -0.123 0.000 0.410 70 E N -0.763 119.542 120.200 0.175 0.000 2.349 70 E HA 0.085 4.521 4.350 0.143 0.000 0.262 70 E C -1.708 175.090 176.600 0.329 0.000 1.088 70 E CA 0.673 57.193 56.400 0.199 0.000 0.899 70 E CB 1.372 31.117 29.700 0.074 0.000 1.044 70 E HN -0.498 7.932 8.360 0.192 0.045 0.420 71 D N 0.516 121.093 120.400 0.295 0.000 2.887 71 D HA 0.048 4.920 4.640 0.386 0.000 0.162 71 D C -1.212 175.301 176.300 0.354 0.000 1.495 71 D CA 1.373 55.560 54.000 0.313 0.000 1.531 71 D CB 2.434 43.323 40.800 0.149 0.000 1.459 71 D HN 0.138 8.623 8.370 0.191 0.000 0.256 72 N N 0.838 119.646 118.700 0.181 0.000 2.420 72 N HA 0.308 5.294 4.740 0.184 -0.135 0.249 72 N C 1.909 177.425 175.510 0.011 0.000 1.033 72 N CA -1.081 52.043 53.050 0.123 0.000 0.944 72 N CB 0.724 39.259 38.487 0.079 0.000 1.113 72 N HN -0.713 7.878 8.380 0.134 -0.132 0.502 73 I N 0.054 120.538 120.570 -0.143 0.000 3.176 73 I HA 0.005 4.188 4.170 -0.282 -0.182 0.275 73 I C -0.412 175.620 176.117 -0.142 0.000 1.298 73 I CA 1.263 62.384 61.300 -0.299 0.000 1.445 73 I CB -0.683 36.909 38.000 -0.681 0.000 1.075 73 I HN 0.608 8.744 8.210 -0.124 0.000 0.482 74 N N -1.738 116.926 118.700 -0.060 0.000 2.236 74 N HA 0.127 4.849 4.740 -0.030 0.000 0.196 74 N C -0.623 174.893 175.510 0.009 0.000 1.114 74 N CA 0.693 53.730 53.050 -0.020 0.000 0.859 74 N CB 1.631 40.117 38.487 -0.003 0.000 0.982 74 N HN 0.084 8.741 8.380 -0.038 -0.300 0.493 75 V N -0.010 119.916 119.914 0.019 0.000 2.638 75 V HA 0.026 4.165 4.120 0.031 0.000 0.306 75 V C -1.412 174.708 176.094 0.043 0.000 1.052 75 V CA -1.141 61.178 62.300 0.032 0.000 0.885 75 V CB 3.245 35.086 31.823 0.029 0.000 0.999 75 V HN -0.824 7.424 8.190 0.011 -0.051 0.424 76 V N 7.064 127.003 119.914 0.040 0.000 2.461 76 V HA -0.174 4.162 4.120 0.047 -0.188 0.275 76 V C -0.001 176.097 176.094 0.007 0.000 1.047 76 V CA 0.606 62.921 62.300 0.024 0.000 0.955 76 V CB 0.299 32.114 31.823 -0.013 0.000 0.988 76 V HN 0.220 8.431 8.190 0.034 0.000 0.471 77 E N 7.207 127.411 120.200 0.007 0.000 2.572 77 E HA 0.170 4.523 4.350 0.004 0.000 0.220 77 E C -0.433 176.164 176.600 -0.005 0.000 0.945 77 E CA -0.576 55.828 56.400 0.007 0.000 1.070 77 E CB 1.102 30.816 29.700 0.022 0.000 1.090 77 E HN 0.414 9.276 8.360 0.010 -0.496 0.506 78 G N 0.418 109.206 108.800 -0.020 0.000 2.576 78 G HA2 -0.213 3.715 3.960 -0.053 0.000 0.686 78 G HA3 -0.213 3.734 3.960 -0.022 0.000 0.686 78 G C -1.708 173.180 174.900 -0.020 0.000 1.242 78 G CA -0.621 44.460 45.100 -0.031 0.000 0.819 78 G HN -0.381 8.317 8.290 -0.026 -0.423 0.655 79 N N -3.523 115.159 118.700 -0.030 0.000 2.980 79 N HA -0.262 4.469 4.740 -0.016 0.000 0.213 79 N C -1.117 174.384 175.510 -0.015 0.000 0.892 79 N CA 1.233 54.275 53.050 -0.013 0.000 1.025 79 N CB -0.197 38.296 38.487 0.010 0.000 1.030 79 N HN 0.155 8.508 8.380 -0.046 0.000 0.585 80 E N -1.130 119.042 120.200 -0.048 0.000 2.331 80 E HA 0.229 4.818 4.350 0.046 -0.211 0.272 80 E C -0.140 176.384 176.600 -0.127 0.000 1.036 80 E CA 0.304 56.673 56.400 -0.050 0.000 0.864 80 E CB 0.629 30.261 29.700 -0.114 0.000 1.035 80 E HN -0.202 8.030 8.360 -0.071 0.086 0.408 81 Q N 3.479 123.279 119.800 -0.000 0.000 2.292 81 Q HA 0.330 4.607 4.340 -0.104 0.000 0.270 81 Q C -1.640 174.500 176.000 0.234 0.000 1.024 81 Q CA -1.290 54.515 55.803 0.004 0.000 0.768 81 Q CB 3.516 32.273 28.738 0.032 0.000 1.250 81 Q HN 0.068 8.410 8.270 0.119 0.000 0.447 82 F N 3.560 123.491 119.950 -0.030 0.000 2.402 82 F HA 0.378 5.059 4.527 -0.045 -0.181 0.355 82 F C -0.182 175.594 175.800 -0.039 0.000 1.123 82 F CA -3.596 54.380 58.000 -0.040 0.000 1.021 82 F CB 0.679 39.654 39.000 -0.042 0.000 1.160 82 F HN 0.332 8.654 8.300 0.036 0.000 0.451 83 I N 4.084 124.733 120.570 0.132 0.000 2.647 83 I HA 0.240 4.439 4.170 0.049 0.000 0.295 83 I C -1.780 174.338 176.117 0.002 0.000 1.078 83 I CA -1.358 59.970 61.300 0.047 0.000 1.048 83 I CB 3.473 41.483 38.000 0.018 0.000 1.239 83 I HN 0.620 8.892 8.210 0.103 0.000 0.421 84 S N 4.443 120.134 115.700 -0.014 0.000 2.601 84 S HA 0.158 4.714 4.470 -0.044 -0.112 0.271 84 S C -0.234 174.332 174.600 -0.057 0.000 1.305 84 S CA 0.545 58.723 58.200 -0.037 0.000 1.022 84 S CB 1.395 64.575 63.200 -0.033 0.000 0.940 84 S HN 0.303 8.608 8.310 -0.008 0.000 0.525 85 A N 2.651 125.434 122.820 -0.062 0.000 2.401 85 A HA 0.057 4.425 4.320 -0.099 -0.108 0.259 85 A C -1.022 176.513 177.584 -0.082 0.000 1.103 85 A CA 0.292 52.282 52.037 -0.077 0.000 0.789 85 A CB 0.183 19.151 19.000 -0.054 0.000 1.035 85 A HN -0.196 7.919 8.150 -0.058 0.000 0.491 86 S N 3.902 119.530 115.700 -0.120 0.000 2.356 86 S HA 0.001 4.427 4.470 -0.073 0.000 0.219 86 S C 0.006 174.567 174.600 -0.064 0.000 1.036 86 S CA 1.804 59.943 58.200 -0.101 0.000 0.965 86 S CB 0.815 63.924 63.200 -0.152 0.000 0.864 86 S HN 0.695 8.778 8.310 -0.175 0.122 0.471 87 K N -1.631 118.726 120.400 -0.071 0.000 2.512 87 K HA 0.342 4.686 4.320 0.041 0.000 0.263 87 K C -2.028 174.608 176.600 0.061 0.000 0.966 87 K CA -0.953 55.343 56.287 0.015 0.000 0.851 87 K CB 3.367 35.891 32.500 0.040 0.000 1.395 87 K HN -0.738 7.426 8.250 -0.144 0.000 0.440 88 S N 0.819 116.609 115.700 0.150 0.000 2.502 88 S HA 0.746 5.491 4.470 0.188 -0.162 0.304 88 S C -0.813 173.914 174.600 0.212 0.000 1.097 88 S CA -0.520 57.810 58.200 0.217 0.000 1.045 88 S CB 2.221 65.631 63.200 0.349 0.000 1.019 88 S HN 0.175 8.584 8.310 0.165 0.000 0.481 89 I N 7.415 128.121 120.570 0.226 0.000 2.390 89 I HA 0.110 4.366 4.170 0.144 0.000 0.283 89 I C -1.600 174.653 176.117 0.226 0.000 1.016 89 I CA -0.776 60.647 61.300 0.206 0.000 1.151 89 I CB 1.752 39.888 38.000 0.226 0.000 1.293 89 I HN 0.983 9.243 8.210 0.258 0.105 0.458 90 V N 7.724 127.703 119.914 0.108 0.000 2.649 90 V HA -0.128 4.031 4.120 0.066 0.000 0.292 90 V C -0.293 175.874 176.094 0.122 0.000 1.055 90 V CA -0.703 61.629 62.300 0.053 0.000 1.023 90 V CB 1.010 32.773 31.823 -0.099 0.000 0.992 90 V HN 0.348 8.555 8.190 0.029 0.000 0.480 91 H N 8.407 127.451 119.070 -0.045 0.000 3.034 91 H HA -0.067 4.284 4.556 -0.341 0.000 0.324 91 H C 0.012 175.304 175.328 -0.060 0.000 1.015 91 H CA 0.608 56.501 56.048 -0.259 0.000 1.429 91 H CB 1.128 30.591 29.762 -0.499 0.000 1.429 91 H HN -0.239 8.074 8.280 0.055 0.000 0.585 92 P HA -0.080 4.343 4.420 0.005 0.000 0.220 92 P C -0.396 176.942 177.300 0.063 0.000 1.148 92 P CA 1.359 64.422 63.100 -0.062 0.000 0.803 92 P CB 0.388 32.033 31.700 -0.092 0.000 0.782 93 S N -3.434 112.403 115.700 0.229 0.000 2.622 93 S HA 0.030 4.555 4.470 0.093 0.000 0.236 93 S C -0.623 174.083 174.600 0.175 0.000 0.956 93 S CA 0.046 58.365 58.200 0.198 0.000 0.971 93 S CB 0.309 63.623 63.200 0.189 0.000 0.782 93 S HN -0.431 8.081 8.310 0.385 0.028 0.468 94 Y N 3.566 123.919 120.300 0.088 0.000 2.526 94 Y HA -0.295 4.427 4.550 -0.032 -0.190 0.330 94 Y C -0.971 174.924 175.900 -0.008 0.000 1.156 94 Y CA 0.754 58.859 58.100 0.009 0.000 1.419 94 Y CB 0.840 39.308 38.460 0.014 0.000 1.250 94 Y HN -0.790 7.599 8.280 0.331 0.090 0.540 95 N N 7.033 125.347 118.700 -0.643 0.000 2.479 95 N HA 0.217 4.677 4.740 -0.466 0.000 0.261 95 N C -0.104 174.889 175.510 -0.861 0.000 0.979 95 N CA -1.434 51.269 53.050 -0.578 0.000 0.930 95 N CB 1.646 39.960 38.487 -0.288 0.000 1.172 95 N HN -0.142 7.966 8.380 -0.454 0.000 0.499 96 S N 6.885 122.095 115.700 -0.816 0.000 2.474 96 S HA -0.144 3.968 4.470 -0.597 0.000 0.235 96 S C 0.717 175.137 174.600 -0.301 0.000 0.997 96 S CA 2.276 60.164 58.200 -0.519 0.000 0.949 96 S CB -0.205 62.862 63.200 -0.221 0.000 0.766 96 S HN 0.620 8.546 8.310 -0.639 0.000 0.517 97 N N 1.826 120.356 118.700 -0.282 0.000 2.336 97 N HA 0.014 4.633 4.740 -0.202 0.000 0.177 97 N C 0.857 176.206 175.510 -0.269 0.000 1.018 97 N CA 2.218 55.132 53.050 -0.226 0.000 0.878 97 N CB 0.596 38.978 38.487 -0.174 0.000 0.997 97 N HN 0.482 8.958 8.380 -0.307 -0.280 0.433 98 T N -4.067 110.322 114.554 -0.275 0.000 3.014 98 T HA 0.050 4.194 4.350 -0.343 0.000 0.250 98 T C 0.156 174.655 174.700 -0.335 0.000 1.060 98 T CA 0.462 62.387 62.100 -0.293 0.000 1.040 98 T CB 1.652 70.404 68.868 -0.194 0.000 0.971 98 T HN -0.517 7.811 8.240 -0.271 -0.251 0.497 99 L N -3.482 117.580 121.223 -0.268 0.000 4.140 99 L HA -0.496 3.933 4.340 0.011 -0.082 0.406 99 L C -1.889 175.003 176.870 0.036 0.000 1.175 99 L CA 0.344 55.131 54.840 -0.088 0.000 0.939 99 L CB -2.634 39.320 42.059 -0.175 0.000 2.105 99 L HN -0.144 7.859 8.230 -0.305 0.044 0.803 100 N N -1.083 117.598 118.700 -0.031 0.000 2.525 100 N HA -0.137 4.653 4.740 0.083 0.000 0.271 100 N C 0.047 175.605 175.510 0.079 0.000 1.194 100 N CA 0.452 53.522 53.050 0.034 0.000 0.964 100 N CB 1.362 39.842 38.487 -0.012 0.000 1.126 100 N HN -0.769 7.503 8.380 -0.128 0.031 0.452 101 N N -1.001 117.742 118.700 0.071 0.000 2.756 101 N HA -0.470 4.193 4.740 -0.128 0.000 0.248 101 N C -1.459 174.037 175.510 -0.023 0.000 1.062 101 N CA 1.379 54.373 53.050 -0.093 0.000 0.696 101 N CB -1.581 36.749 38.487 -0.263 0.000 0.946 101 N HN 0.564 9.009 8.380 0.109 0.000 0.548 102 D N -1.121 119.304 120.400 0.043 0.000 2.608 102 D HA 0.036 4.685 4.640 0.016 0.000 0.224 102 D C -1.719 174.489 176.300 -0.153 0.000 1.123 102 D CA -0.378 53.646 54.000 0.039 0.000 1.030 102 D CB -0.772 40.145 40.800 0.196 0.000 1.093 102 D HN -0.070 8.333 8.370 0.055 0.000 0.497 103 I N 1.627 122.042 120.570 -0.258 0.000 2.802 103 I HA 0.583 4.830 4.170 -0.134 -0.157 0.298 103 I C -3.061 173.011 176.117 -0.075 0.000 1.176 103 I CA -1.573 59.604 61.300 -0.205 0.000 1.025 103 I CB 4.223 41.969 38.000 -0.423 0.000 1.243 103 I HN -0.129 7.880 8.210 -0.268 0.039 0.424 104 M N 5.897 125.525 119.600 0.046 0.000 2.470 104 M HA 0.702 5.477 4.480 0.223 -0.161 0.285 104 M C -2.738 173.692 176.300 0.216 0.000 1.213 104 M CA -1.018 54.372 55.300 0.149 0.000 0.901 104 M CB 4.770 37.412 32.600 0.070 0.000 1.718 104 M HN 0.289 8.603 8.290 0.040 0.000 0.469 105 L N 2.856 124.246 121.223 0.278 0.000 2.334 105 L HA 0.794 5.440 4.340 0.259 -0.151 0.276 105 L C -1.302 175.766 176.870 0.331 0.000 1.014 105 L CA -1.455 53.562 54.840 0.295 0.000 0.815 105 L CB 3.227 45.421 42.059 0.226 0.000 1.268 105 L HN 0.485 8.902 8.230 0.311 0.000 0.428 106 I N 0.346 121.101 120.570 0.309 0.000 2.498 106 I HA 0.561 4.975 4.170 0.126 -0.168 0.290 106 I C -1.612 174.469 176.117 -0.061 0.000 1.032 106 I CA -1.392 59.985 61.300 0.129 0.000 1.073 106 I CB 3.170 41.209 38.000 0.064 0.000 1.251 106 I HN 0.650 9.065 8.210 0.341 0.000 0.426 107 K N 6.164 126.319 120.400 -0.408 0.000 2.130 107 K HA 0.657 4.225 4.320 -1.491 -0.143 0.268 107 K C -1.110 175.184 176.600 -0.510 0.000 0.983 107 K CA -1.845 53.797 56.287 -1.075 0.000 0.893 107 K CB 3.145 34.831 32.500 -1.358 0.000 1.066 107 K HN 0.536 8.641 8.250 -0.241 0.000 0.450 108 L N 4.278 125.233 121.223 -0.446 0.000 2.379 108 L HA 0.136 4.466 4.340 -0.175 -0.096 0.269 108 L C -0.025 176.725 176.870 -0.200 0.000 1.084 108 L CA -0.242 54.460 54.840 -0.230 0.000 0.802 108 L CB 0.662 42.629 42.059 -0.154 0.000 1.175 108 L HN 0.625 8.403 8.230 -0.585 0.101 0.448 109 K N 2.005 122.329 120.400 -0.126 0.000 2.147 109 K HA -0.271 3.982 4.320 -0.111 0.000 0.205 109 K C -0.505 176.045 176.600 -0.084 0.000 1.049 109 K CA 2.251 58.480 56.287 -0.097 0.000 0.936 109 K CB 0.537 32.999 32.500 -0.062 0.000 0.722 109 K HN 0.820 9.009 8.250 -0.102 0.000 0.446 110 S N -4.978 110.678 115.700 -0.073 0.000 2.588 110 S HA 0.099 4.535 4.470 -0.057 0.000 0.275 110 S C -1.593 172.976 174.600 -0.052 0.000 1.130 110 S CA -1.323 56.844 58.200 -0.054 0.000 0.855 110 S CB 3.133 66.314 63.200 -0.032 0.000 1.116 110 S HN -0.685 7.576 8.310 -0.071 0.007 0.472 111 A N 0.044 122.842 122.820 -0.038 0.000 2.425 111 A HA 0.083 4.531 4.320 -0.036 -0.150 0.242 111 A C -0.167 177.412 177.584 -0.008 0.000 1.077 111 A CA -0.144 51.879 52.037 -0.023 0.000 0.781 111 A CB 0.464 19.461 19.000 -0.005 0.000 1.020 111 A HN 0.220 8.351 8.150 -0.032 0.000 0.494 112 A N 0.193 123.016 122.820 0.005 0.000 2.271 112 A HA 0.260 4.663 4.320 0.011 -0.076 0.288 112 A C -0.678 176.917 177.584 0.018 0.000 1.094 112 A CA -1.445 50.601 52.037 0.016 0.000 0.828 112 A CB 1.693 20.711 19.000 0.030 0.000 1.091 112 A HN 0.196 8.244 8.150 0.008 0.107 0.493 113 S N 0.042 115.751 115.700 0.016 0.000 2.422 113 S HA 0.125 4.604 4.470 0.016 0.000 0.298 113 S C -0.573 174.042 174.600 0.024 0.000 1.118 113 S CA -0.624 57.586 58.200 0.016 0.000 1.083 113 S CB 0.600 63.805 63.200 0.007 0.000 0.971 113 S HN -0.119 8.497 8.310 0.015 -0.298 0.478 114 L N 5.905 127.146 121.223 0.029 0.000 2.379 114 L HA 0.188 4.663 4.340 0.042 -0.109 0.269 114 L C -0.594 176.294 176.870 0.031 0.000 1.084 114 L CA -0.250 54.612 54.840 0.037 0.000 0.802 114 L CB 0.723 42.808 42.059 0.044 0.000 1.175 114 L HN 0.212 8.459 8.230 0.027 0.000 0.448 115 N N 2.445 121.165 118.700 0.033 0.000 3.710 115 N HA 0.138 4.894 4.740 0.026 0.000 0.336 115 N C -1.377 174.152 175.510 0.033 0.000 1.321 115 N CA -0.185 52.882 53.050 0.028 0.000 0.636 115 N CB 0.519 39.019 38.487 0.021 0.000 3.379 115 N HN 0.611 8.909 8.380 0.040 0.106 0.492 116 S N -2.164 113.553 115.700 0.028 0.000 2.483 116 S HA 0.009 4.501 4.470 0.037 0.000 0.221 116 S C 0.753 175.370 174.600 0.028 0.000 1.030 116 S CA 1.534 59.752 58.200 0.030 0.000 0.925 116 S CB 0.617 63.832 63.200 0.023 0.000 0.795 116 S HN -0.053 8.271 8.310 0.023 0.000 0.511 117 R N -0.376 120.138 120.500 0.024 0.000 2.246 117 R HA 0.102 4.450 4.340 0.013 0.000 0.199 117 R C -1.194 175.121 176.300 0.025 0.000 0.984 117 R CA 0.398 56.510 56.100 0.019 0.000 1.015 117 R CB 0.918 31.230 30.300 0.018 0.000 0.930 117 R HN 0.052 8.636 8.270 0.022 -0.300 0.475 118 V N -1.690 118.245 119.914 0.036 0.000 2.482 118 V HA 0.304 4.664 4.120 0.049 -0.211 0.295 118 V C -2.250 173.882 176.094 0.063 0.000 1.026 118 V CA -1.068 61.262 62.300 0.049 0.000 0.856 118 V CB 2.954 34.805 31.823 0.047 0.000 1.001 118 V HN -0.423 7.999 8.190 0.035 -0.211 0.424 119 A N 6.308 129.182 122.820 0.089 0.000 2.587 119 A HA 0.528 4.898 4.320 0.083 0.000 0.293 119 A C -2.891 174.782 177.584 0.148 0.000 1.087 119 A CA -1.035 51.064 52.037 0.105 0.000 0.692 119 A CB 3.255 22.320 19.000 0.108 0.000 1.291 119 A HN 0.305 8.397 8.150 0.098 0.117 0.407 120 S N -1.408 114.366 115.700 0.124 0.000 2.693 120 S HA 0.573 5.287 4.470 0.159 -0.148 0.276 120 S C -0.652 174.006 174.600 0.097 0.000 1.192 120 S CA -0.737 57.537 58.200 0.124 0.000 0.994 120 S CB 1.596 64.849 63.200 0.088 0.000 1.012 120 S HN 0.005 8.373 8.310 0.096 0.000 0.550 121 I N 0.325 120.911 120.570 0.026 0.000 2.750 121 I HA 0.252 4.365 4.170 -0.094 0.000 0.308 121 I C -1.221 174.853 176.117 -0.072 0.000 1.016 121 I CA -1.672 59.553 61.300 -0.125 0.000 1.098 121 I CB 4.091 41.808 38.000 -0.473 0.000 1.279 121 I HN -0.067 8.170 8.210 0.045 0.000 0.454 122 S N 4.718 120.371 115.700 -0.078 0.000 2.610 122 S HA 0.259 4.716 4.470 -0.023 0.000 0.273 122 S C -0.738 173.837 174.600 -0.042 0.000 1.274 122 S CA -0.354 57.820 58.200 -0.043 0.000 1.023 122 S CB 0.928 64.107 63.200 -0.035 0.000 0.962 122 S HN 0.253 8.501 8.310 -0.103 0.000 0.523 123 L N 2.248 123.460 121.223 -0.018 0.000 2.399 123 L HA 0.208 4.548 4.340 0.000 0.000 0.266 123 L C -1.208 175.660 176.870 -0.003 0.000 1.114 123 L CA -2.099 52.741 54.840 -0.001 0.000 0.804 123 L CB 0.322 42.390 42.059 0.014 0.000 1.146 123 L HN 0.196 8.418 8.230 -0.013 0.000 0.451 124 P HA 0.131 4.541 4.420 -0.016 0.000 0.276 124 P C -1.311 175.990 177.300 0.000 0.000 1.261 124 P CA -0.725 62.372 63.100 -0.005 0.000 0.800 124 P CB 0.808 32.504 31.700 -0.006 0.000 1.066 128 c N 0.378 118.955 118.600 -0.040 0.000 2.422 128 c HA 0.112 4.650 4.570 -0.054 0.000 0.364 128 c C -0.107 173.925 174.090 -0.097 0.000 1.251 128 c CA -0.658 55.634 56.329 -0.061 0.000 2.441 128 c CB 0.585 43.066 42.510 -0.049 0.000 2.393 128 c HN -0.047 8.162 8.230 -0.035 0.000 0.606 129 A N 0.419 123.142 122.820 -0.161 0.000 2.256 129 A HA 0.102 4.348 4.320 -0.122 0.000 0.318 129 A C -1.062 176.419 177.584 -0.173 0.000 1.103 129 A CA -0.483 51.452 52.037 -0.171 0.000 0.860 129 A CB 1.469 20.331 19.000 -0.231 0.000 1.182 129 A HN 0.185 8.208 8.150 -0.212 0.000 0.501 133 G N 0.537 109.296 108.800 -0.068 0.000 2.267 133 G HA2 -0.341 3.586 3.960 -0.055 0.000 0.257 133 G HA3 -0.341 3.591 3.960 -0.046 0.000 0.257 133 G C 0.157 175.017 174.900 -0.066 0.000 0.998 133 G CA 0.266 45.331 45.100 -0.058 0.000 0.620 133 G HN 0.846 8.986 8.290 -0.070 0.108 0.529 134 T N 3.212 117.713 114.554 -0.088 0.000 2.928 134 T HA -0.155 4.156 4.350 -0.066 0.000 0.305 134 T C -1.096 173.556 174.700 -0.080 0.000 1.035 134 T CA 2.180 64.228 62.100 -0.087 0.000 1.145 134 T CB 0.831 69.627 68.868 -0.119 0.000 0.963 134 T HN -0.488 7.604 8.240 -0.105 0.085 0.545 135 Q N 5.302 125.071 119.800 -0.053 0.000 2.243 135 Q HA 0.170 4.589 4.340 -0.045 -0.106 0.252 135 Q C -0.932 175.048 176.000 -0.034 0.000 0.909 135 Q CA 0.322 56.104 55.803 -0.034 0.000 0.922 135 Q CB 1.596 30.331 28.738 -0.004 0.000 1.215 135 Q HN 0.191 8.435 8.270 -0.044 0.000 0.427 136 c N 2.775 121.357 118.600 -0.030 0.000 3.044 136 c HA 0.510 5.161 4.570 -0.021 -0.094 0.315 136 c C -1.859 172.235 174.090 0.007 0.000 1.320 136 c CA -1.517 54.797 56.329 -0.026 0.000 1.582 136 c CB 4.274 46.747 42.510 -0.061 0.000 2.039 136 c HN 0.782 8.888 8.230 -0.029 0.107 0.466 137 L N 0.863 122.099 121.223 0.021 0.000 2.313 137 L HA 0.862 5.409 4.340 0.054 -0.174 0.283 137 L C -2.111 174.774 176.870 0.025 0.000 1.013 137 L CA -1.300 53.568 54.840 0.046 0.000 0.816 137 L CB 2.970 45.080 42.059 0.084 0.000 1.236 137 L HN 0.675 8.803 8.230 0.014 0.110 0.419 138 I N 7.390 127.960 120.570 0.001 0.000 2.474 138 I HA 0.869 5.275 4.170 0.010 -0.229 0.294 138 I C -1.301 174.786 176.117 -0.050 0.000 1.005 138 I CA -1.565 59.730 61.300 -0.007 0.000 1.113 138 I CB 2.549 40.548 38.000 -0.001 0.000 1.289 138 I HN 1.028 9.241 8.210 0.004 0.000 0.436 139 S N 2.355 118.018 115.700 -0.062 0.000 2.618 139 S HA 0.992 5.484 4.470 -0.221 -0.155 0.277 139 S C -1.212 173.270 174.600 -0.197 0.000 1.138 139 S CA -1.732 56.357 58.200 -0.185 0.000 0.844 139 S CB 3.721 66.777 63.200 -0.239 0.000 1.127 139 S HN -0.184 8.119 8.310 -0.010 0.000 0.474 140 G N -1.401 107.192 108.800 -0.346 0.000 2.321 140 G HA2 0.135 3.851 3.960 -0.407 0.000 0.298 140 G HA3 0.135 4.188 3.960 -0.059 -0.128 0.298 140 G C -2.444 172.245 174.900 -0.352 0.000 1.385 140 G CA 0.523 45.445 45.100 -0.297 0.000 0.856 140 G HN 0.300 8.328 8.290 -0.437 0.000 0.584 141 W N 1.168 122.417 121.300 -0.084 0.000 2.817 141 W HA 0.361 4.974 4.660 -0.077 0.000 0.433 141 W C -0.643 175.907 176.519 0.052 0.000 0.838 141 W CA -1.068 56.197 57.345 -0.134 0.000 2.356 141 W CB -0.156 29.034 29.460 -0.451 0.000 1.216 141 W HN 0.586 8.924 8.180 0.263 0.000 0.793 142 G N 0.707 109.682 108.800 0.293 0.000 2.557 142 G HA2 0.064 4.387 3.960 0.606 0.000 0.292 142 G HA3 0.064 4.402 3.960 0.316 -0.189 0.292 142 G C -1.026 174.027 174.900 0.256 0.000 1.237 142 G CA -1.131 44.206 45.100 0.395 0.000 0.978 142 G HN -0.532 7.967 8.290 0.166 -0.110 0.498 143 N N -0.353 118.413 118.700 0.110 0.000 2.294 143 N HA -0.329 4.117 4.740 -0.780 -0.174 0.248 143 N C 0.888 176.316 175.510 -0.138 0.000 1.242 143 N CA 1.216 54.052 53.050 -0.356 0.000 0.848 143 N CB 0.613 38.876 38.487 -0.374 0.000 1.084 143 N HN 0.195 8.783 8.380 0.347 0.000 0.457 144 T N -0.038 114.421 114.554 -0.159 0.000 3.054 144 T HA 0.210 4.670 4.350 -0.045 -0.138 0.255 144 T C 0.193 174.854 174.700 -0.065 0.000 1.035 144 T CA 0.414 62.470 62.100 -0.073 0.000 0.941 144 T CB 1.528 70.366 68.868 -0.050 0.000 1.026 144 T HN 0.291 8.383 8.240 -0.248 0.000 0.533 145 K N 2.197 122.543 120.400 -0.091 0.000 2.259 145 K HA 0.295 4.592 4.320 -0.038 0.000 0.249 145 K C -0.504 176.072 176.600 -0.041 0.000 0.942 145 K CA -0.930 55.322 56.287 -0.058 0.000 0.816 145 K CB 2.523 34.984 32.500 -0.065 0.000 1.155 145 K HN -0.523 7.900 8.250 -0.146 -0.260 0.428 146 S N 0.412 116.102 115.700 -0.016 0.000 2.503 146 S HA -0.074 4.400 4.470 0.007 0.000 0.217 146 S C 0.106 174.708 174.600 0.004 0.000 0.999 146 S CA 0.764 58.966 58.200 0.002 0.000 0.914 146 S CB 1.009 64.217 63.200 0.013 0.000 0.782 146 S HN 0.191 8.493 8.310 -0.014 0.000 0.520 147 S N 0.977 116.674 115.700 -0.005 0.000 2.252 147 S HA 0.193 4.668 4.470 0.008 0.000 0.187 147 S C -0.848 173.748 174.600 -0.007 0.000 1.587 147 S CA -0.122 58.079 58.200 0.001 0.000 1.215 147 S CB 0.060 63.262 63.200 0.004 0.000 1.085 147 S HN -0.426 7.833 8.310 -0.012 0.043 0.466 148 G N 1.222 110.017 108.800 -0.009 0.000 2.392 148 G HA2 -0.190 3.772 3.960 0.004 0.000 0.677 148 G HA3 -0.190 3.762 3.960 -0.013 0.000 0.677 148 G C -2.526 172.345 174.900 -0.047 0.000 1.334 148 G CA -0.836 44.256 45.100 -0.013 0.000 0.961 148 G HN -0.320 7.968 8.290 -0.003 0.000 0.616 149 T N -3.087 111.442 114.554 -0.043 0.000 2.758 149 T HA 0.084 4.396 4.350 -0.271 -0.125 0.285 149 T C -1.203 173.391 174.700 -0.177 0.000 0.981 149 T CA -1.339 60.678 62.100 -0.139 0.000 0.965 149 T CB 1.275 70.187 68.868 0.072 0.000 0.927 149 T HN -0.147 8.091 8.240 -0.003 0.000 0.448 150 S N 4.860 120.347 115.700 -0.355 0.000 2.721 150 S HA 0.212 4.650 4.470 -0.053 0.000 0.264 150 S C -2.053 172.374 174.600 -0.289 0.000 1.161 150 S CA -0.543 57.550 58.200 -0.178 0.000 1.113 150 S CB 0.930 64.068 63.200 -0.103 0.000 1.079 150 S HN 0.591 8.955 8.310 -0.559 -0.390 0.479 151 Y N 5.661 126.001 120.300 0.067 0.000 2.330 151 Y HA 0.217 4.823 4.550 0.094 0.000 0.336 151 Y C -0.809 175.140 175.900 0.080 0.000 1.036 151 Y CA -2.674 55.478 58.100 0.087 0.000 1.125 151 Y CB 1.028 39.552 38.460 0.107 0.000 1.194 151 Y HN 0.083 8.478 8.280 0.192 0.000 0.469 152 P HA 0.384 4.878 4.420 0.125 0.000 0.281 152 P C -1.621 175.799 177.300 0.201 0.000 1.281 152 P CA -0.865 62.335 63.100 0.166 0.000 0.811 152 P CB 2.210 33.985 31.700 0.124 0.000 1.154 153 D N -2.784 117.715 120.400 0.165 0.000 2.323 153 D HA -0.074 4.625 4.640 0.098 0.000 0.218 153 D C -1.354 175.095 176.300 0.248 0.000 0.973 153 D CA 1.418 55.503 54.000 0.142 0.000 0.890 153 D CB 1.049 41.903 40.800 0.090 0.000 1.011 153 D HN 0.365 8.815 8.370 0.134 0.000 0.499 154 V N -6.706 113.355 119.914 0.244 0.000 2.850 154 V HA 0.810 5.481 4.120 0.421 -0.299 0.315 154 V C -0.504 175.645 176.094 0.091 0.000 1.064 154 V CA -2.535 59.922 62.300 0.262 0.000 0.979 154 V CB 2.176 34.070 31.823 0.118 0.000 1.039 154 V HN -0.943 7.347 8.190 0.168 0.000 0.452 155 L N 2.813 123.944 121.223 -0.154 0.000 2.559 155 L HA -0.102 3.398 4.340 -1.400 0.000 0.274 155 L C -0.602 176.006 176.870 -0.436 0.000 1.205 155 L CA 1.002 55.394 54.840 -0.747 0.000 0.907 155 L CB 0.322 41.926 42.059 -0.760 0.000 1.153 155 L HN -0.139 8.143 8.230 0.087 0.000 0.490 156 K N 5.846 125.975 120.400 -0.453 0.000 2.156 156 K HA 0.657 4.942 4.320 -0.323 -0.159 0.250 156 K C -1.155 175.190 176.600 -0.425 0.000 0.955 156 K CA -2.515 53.564 56.287 -0.347 0.000 0.855 156 K CB 2.464 34.826 32.500 -0.229 0.000 1.101 156 K HN -0.070 7.841 8.250 -0.565 0.000 0.434 157 c N -0.818 117.427 118.600 -0.592 0.000 2.707 157 c HA 1.001 5.516 4.570 -0.399 -0.185 0.313 157 c C -1.706 172.001 174.090 -0.639 0.000 1.209 157 c CA -0.779 55.149 56.329 -0.667 0.000 1.635 157 c CB 3.585 45.552 42.510 -0.906 0.000 2.206 157 c HN 0.680 8.485 8.230 -0.708 0.000 0.485 158 L N 0.238 121.307 121.223 -0.258 0.000 2.513 158 L HA 0.370 4.753 4.340 0.072 0.000 0.261 158 L C -2.539 174.395 176.870 0.107 0.000 0.945 158 L CA 0.179 55.017 54.840 -0.002 0.000 0.848 158 L CB 4.511 46.593 42.059 0.039 0.000 1.334 158 L HN 0.749 8.867 8.230 -0.187 0.000 0.407 159 K N 5.342 125.869 120.400 0.211 0.000 2.213 159 K HA 0.868 5.478 4.320 0.124 -0.215 0.270 159 K C -1.050 175.678 176.600 0.213 0.000 1.002 159 K CA -1.517 54.878 56.287 0.180 0.000 0.868 159 K CB 1.292 33.907 32.500 0.191 0.000 1.093 159 K HN 0.335 8.745 8.250 0.267 0.000 0.454 160 A N 4.170 127.047 122.820 0.096 0.000 2.486 160 A HA 0.653 4.950 4.320 -0.038 0.000 0.300 160 A C -3.347 174.165 177.584 -0.120 0.000 1.048 160 A CA -2.896 49.123 52.037 -0.030 0.000 0.696 160 A CB 3.080 22.064 19.000 -0.027 0.000 1.278 160 A HN 0.904 9.082 8.150 0.046 0.000 0.405 161 P HA 0.633 5.193 4.420 -0.104 -0.203 0.284 161 P C -0.948 176.279 177.300 -0.122 0.000 1.258 161 P CA -1.317 61.694 63.100 -0.149 0.000 0.824 161 P CB 1.369 32.982 31.700 -0.145 0.000 1.038 162 I N 0.594 121.105 120.570 -0.098 0.000 2.529 162 I HA -0.081 4.225 4.170 0.047 -0.109 0.284 162 I C 0.061 176.158 176.117 -0.035 0.000 1.082 162 I CA 0.733 61.996 61.300 -0.062 0.000 1.406 162 I CB 0.293 38.162 38.000 -0.219 0.000 1.405 162 I HN 0.080 8.223 8.210 -0.112 0.000 0.548 163 L N 6.479 127.720 121.223 0.029 0.000 2.431 163 L HA 0.262 4.592 4.340 -0.017 0.000 0.260 163 L C -0.305 176.578 176.870 0.023 0.000 1.098 163 L CA -1.007 53.841 54.840 0.014 0.000 0.800 163 L CB 0.886 42.964 42.059 0.032 0.000 1.210 163 L HN 0.454 8.641 8.230 0.110 0.109 0.465 164 S N -1.179 114.528 115.700 0.013 0.000 2.603 164 S HA 0.005 4.478 4.470 0.006 0.000 0.268 164 S C 0.441 175.063 174.600 0.037 0.000 1.317 164 S CA -0.654 57.554 58.200 0.014 0.000 1.012 164 S CB 1.437 64.641 63.200 0.006 0.000 0.926 164 S HN -0.037 8.276 8.310 0.006 0.000 0.539 165 D N 2.094 122.517 120.400 0.038 0.000 2.144 165 D HA -0.243 4.442 4.640 0.075 0.000 0.199 165 D C 1.577 177.906 176.300 0.049 0.000 0.984 165 D CA 3.696 57.728 54.000 0.054 0.000 0.834 165 D CB -0.518 40.309 40.800 0.046 0.000 0.955 165 D HN 0.607 8.993 8.370 0.026 0.000 0.465 166 S N -1.247 114.473 115.700 0.033 0.000 2.368 166 S HA -0.284 4.205 4.470 0.032 0.000 0.225 166 S C 2.161 176.777 174.600 0.026 0.000 1.030 166 S CA 3.315 61.531 58.200 0.028 0.000 0.999 166 S CB -0.735 62.475 63.200 0.017 0.000 0.844 166 S HN 0.061 8.380 8.310 0.026 0.007 0.459 167 S N 3.803 119.517 115.700 0.023 0.000 2.387 167 S HA -0.205 4.268 4.470 0.005 0.000 0.226 167 S C 1.851 176.466 174.600 0.025 0.000 1.026 167 S CA 4.080 62.288 58.200 0.014 0.000 0.972 167 S CB -0.103 63.103 63.200 0.009 0.000 0.814 167 S HN -0.574 7.749 8.310 0.023 0.000 0.477 168 c N 3.687 122.320 118.600 0.056 0.000 2.432 168 c HA -0.316 4.315 4.570 0.102 0.000 0.277 168 c C 1.688 175.847 174.090 0.116 0.000 1.249 168 c CA 2.850 59.239 56.329 0.099 0.000 1.725 168 c CB -1.729 40.851 42.510 0.118 0.000 2.028 168 c HN 0.109 8.373 8.230 0.056 0.000 0.477 169 K N -1.265 119.192 120.400 0.094 0.000 2.148 169 K HA -0.327 4.076 4.320 0.138 0.000 0.204 169 K C 2.357 178.993 176.600 0.061 0.000 1.050 169 K CA 3.132 59.476 56.287 0.095 0.000 0.942 169 K CB -0.103 32.441 32.500 0.074 0.000 0.724 169 K HN 0.207 8.504 8.250 0.078 0.000 0.446 170 S N -0.816 114.900 115.700 0.026 0.000 2.406 170 S HA -0.239 4.235 4.470 0.007 0.000 0.228 170 S C 0.745 175.317 174.600 -0.047 0.000 1.020 170 S CA 2.986 61.184 58.200 -0.003 0.000 0.965 170 S CB -0.013 63.181 63.200 -0.009 0.000 0.798 170 S HN -0.291 8.015 8.310 0.027 0.021 0.488 171 A N -0.579 122.187 122.820 -0.090 0.000 1.930 171 A HA -0.043 4.123 4.320 -0.257 0.000 0.215 171 A C -0.529 176.796 177.584 -0.432 0.000 1.176 171 A CA 1.792 53.651 52.037 -0.297 0.000 0.632 171 A CB 0.861 19.629 19.000 -0.386 0.000 0.819 171 A HN -0.555 7.459 8.150 -0.042 0.112 0.445 172 Y N -5.336 115.002 120.300 0.064 0.000 2.562 172 Y HA 0.478 5.105 4.550 0.128 0.000 0.363 172 Y C -2.415 173.548 175.900 0.105 0.000 0.991 172 Y CA -3.700 54.474 58.100 0.123 0.000 1.121 172 Y CB -0.232 38.350 38.460 0.203 0.000 1.159 172 Y HN -0.455 7.873 8.280 0.080 0.000 0.651 173 P HA -0.066 4.530 4.420 0.107 -0.111 0.265 173 P C 0.791 178.162 177.300 0.119 0.000 1.193 173 P CA 1.199 64.366 63.100 0.111 0.000 0.765 173 P CB 0.256 31.994 31.700 0.064 0.000 0.823 174 G N 3.017 111.876 108.800 0.098 0.000 2.189 174 G HA2 -0.382 3.614 3.960 0.059 0.000 0.267 174 G HA3 -0.382 3.613 3.960 0.057 0.000 0.267 174 G C 0.070 175.022 174.900 0.086 0.000 0.975 174 G CA 0.872 46.016 45.100 0.074 0.000 0.644 174 G HN 0.332 8.678 8.290 0.092 0.000 0.537 175 Q N -2.125 117.765 119.800 0.151 0.000 2.217 175 Q HA 0.093 4.460 4.340 0.046 0.000 0.217 175 Q C -0.476 175.658 176.000 0.223 0.000 0.844 175 Q CA -0.395 55.495 55.803 0.146 0.000 0.957 175 Q CB 1.480 30.329 28.738 0.186 0.000 1.127 175 Q HN -0.287 8.028 8.270 0.199 0.075 0.503 176 I N 0.633 121.333 120.570 0.217 0.000 2.315 176 I HA 0.015 4.335 4.170 0.251 0.000 0.291 176 I C -0.392 175.803 176.117 0.130 0.000 1.006 176 I CA -2.046 59.373 61.300 0.197 0.000 1.265 176 I CB -1.174 36.932 38.000 0.175 0.000 1.387 176 I HN -0.513 7.813 8.210 0.193 0.000 0.475 177 T N 2.649 117.276 114.554 0.121 0.000 2.893 177 T HA 0.355 4.745 4.350 0.066 0.000 0.279 177 T C 0.726 175.475 174.700 0.082 0.000 0.991 177 T CA -2.072 60.077 62.100 0.081 0.000 0.950 177 T CB 2.203 71.110 68.868 0.066 0.000 1.223 177 T HN -0.433 7.897 8.240 0.149 0.000 0.585 178 S N -2.398 113.336 115.700 0.057 0.000 2.607 178 S HA -0.125 4.383 4.470 0.064 0.000 0.224 178 S C -0.124 174.511 174.600 0.059 0.000 0.969 178 S CA 1.402 59.632 58.200 0.051 0.000 0.927 178 S CB -0.201 63.010 63.200 0.020 0.000 0.772 178 S HN 0.230 8.565 8.310 0.041 0.000 0.533 179 N N 0.385 119.135 118.700 0.084 0.000 2.275 179 N HA 0.188 4.986 4.740 0.098 0.000 0.236 179 N C -1.916 173.704 175.510 0.185 0.000 1.154 179 N CA -0.470 52.658 53.050 0.130 0.000 0.866 179 N CB 1.230 39.816 38.487 0.164 0.000 1.093 179 N HN -0.533 7.802 8.380 0.087 0.097 0.515 180 M N -1.160 118.535 119.600 0.158 0.000 2.593 180 M HA 0.845 5.581 4.480 0.067 -0.216 0.290 180 M C -2.474 173.927 176.300 0.169 0.000 1.244 180 M CA -0.410 54.955 55.300 0.108 0.000 0.857 180 M CB 5.199 37.847 32.600 0.080 0.000 1.738 180 M HN -0.805 7.493 8.290 0.144 0.078 0.461 181 F N -6.520 113.470 119.950 0.066 0.000 2.668 181 F HA 0.616 5.171 4.527 0.046 0.000 0.309 181 F C -2.643 173.203 175.800 0.077 0.000 1.117 181 F CA -1.561 56.477 58.000 0.063 0.000 0.951 181 F CB 2.386 41.423 39.000 0.061 0.000 1.323 181 F HN -0.065 8.087 8.300 -0.246 0.000 0.451 182 c N 0.175 118.952 118.600 0.295 0.000 2.391 182 c HA 0.997 5.812 4.570 0.075 -0.201 0.339 182 c C -1.014 173.289 174.090 0.355 0.000 1.205 182 c CA -0.879 55.570 56.329 0.201 0.000 1.937 182 c CB 2.719 45.306 42.510 0.127 0.000 2.341 182 c HN 0.815 9.244 8.230 0.331 0.000 0.516 183 A N 2.638 125.651 122.820 0.322 0.000 2.414 183 A HA 0.692 5.230 4.320 0.106 -0.155 0.286 183 A C -2.190 175.451 177.584 0.096 0.000 1.073 183 A CA -0.603 51.543 52.037 0.182 0.000 0.727 183 A CB 2.845 21.899 19.000 0.089 0.000 1.215 183 A HN 0.368 8.728 8.150 0.348 0.000 0.430 184 Y N 3.070 123.404 120.300 0.057 0.000 2.486 184 Y HA 0.023 4.594 4.550 0.035 0.000 0.348 184 Y C 1.044 176.961 175.900 0.028 0.000 1.000 184 Y CA -0.047 58.076 58.100 0.038 0.000 1.253 184 Y CB -0.033 38.448 38.460 0.035 0.000 1.140 184 Y HN 0.228 8.627 8.280 0.198 0.000 0.526 185 L N 4.013 125.305 121.223 0.115 0.000 2.362 185 L HA -0.327 4.042 4.340 0.048 0.000 0.219 185 L C 1.006 177.922 176.870 0.075 0.000 1.134 185 L CA 2.203 57.082 54.840 0.065 0.000 0.807 185 L CB -0.471 41.606 42.059 0.031 0.000 0.927 185 L HN 0.518 8.798 8.230 0.084 0.000 0.447 186 E N -2.337 117.927 120.200 0.108 0.000 2.427 186 E HA -0.087 4.291 4.350 0.047 0.000 0.196 186 E C 0.824 177.462 176.600 0.064 0.000 1.028 186 E CA 0.053 56.495 56.400 0.070 0.000 0.864 186 E CB -0.410 29.326 29.700 0.060 0.000 0.813 186 E HN 0.066 8.477 8.360 0.160 0.045 0.514 187 G N 0.979 109.837 108.800 0.096 0.000 3.405 187 G HA2 -0.373 3.664 3.960 0.092 0.000 0.676 187 G HA3 -0.373 3.650 3.960 0.049 -0.034 0.676 187 G C -0.782 174.143 174.900 0.042 0.000 1.039 187 G CA -0.164 44.979 45.100 0.073 0.000 0.855 187 G HN -0.380 7.829 8.290 0.148 0.170 0.443 188 K N 1.540 121.941 120.400 0.002 0.000 6.729 188 K HA -0.603 3.981 4.320 0.014 -0.256 0.698 188 K C -1.319 175.381 176.600 0.166 0.000 2.405 188 K CA 0.566 56.869 56.287 0.027 0.000 1.737 188 K CB -0.136 32.287 32.500 -0.129 0.000 1.870 188 K HN 0.164 8.435 8.250 0.035 0.000 0.294 189 D N 0.469 120.950 120.400 0.134 0.000 2.725 189 D HA 0.303 5.071 4.640 0.213 0.000 0.292 189 D C -1.885 174.489 176.300 0.123 0.000 1.288 189 D CA -0.718 53.377 54.000 0.158 0.000 0.784 189 D CB 4.448 45.325 40.800 0.128 0.000 1.308 189 D HN 0.165 8.587 8.370 0.088 0.000 0.429 190 S N -1.694 114.093 115.700 0.144 0.000 2.707 190 S HA 0.340 4.940 4.470 0.103 -0.069 0.276 190 S C -1.301 173.355 174.600 0.093 0.000 1.179 190 S CA -0.493 57.784 58.200 0.128 0.000 0.992 190 S CB 1.736 65.054 63.200 0.196 0.000 1.030 190 S HN 0.269 8.682 8.310 0.172 0.000 0.554 191 c N -1.807 116.852 118.600 0.100 0.000 3.293 191 c HA 0.246 4.867 4.570 0.085 0.000 0.362 191 c C -1.547 172.634 174.090 0.152 0.000 1.539 191 c CA -0.555 55.834 56.329 0.100 0.000 1.201 191 c CB 2.705 45.259 42.510 0.073 0.000 1.770 191 c HN 0.215 8.768 8.230 0.116 -0.252 0.440 192 Q N 1.891 121.797 119.800 0.176 0.000 2.304 192 Q HA -0.362 4.115 4.340 0.229 0.000 0.301 192 Q C 0.952 177.160 176.000 0.347 0.000 1.063 192 Q CA 2.169 58.121 55.803 0.249 0.000 0.947 192 Q CB 0.568 29.462 28.738 0.261 0.000 1.201 192 Q HN 0.445 8.800 8.270 0.142 0.000 0.389 193 G N 6.180 115.170 108.800 0.317 0.000 2.279 193 G HA2 -0.426 3.842 3.960 0.261 0.000 0.223 193 G HA3 -0.426 3.839 3.960 0.509 0.000 0.223 193 G C 0.881 175.997 174.900 0.359 0.000 1.015 193 G CA 1.037 46.359 45.100 0.371 0.000 0.621 193 G HN 0.608 9.055 8.290 0.262 0.000 0.506 194 D N 2.769 123.329 120.400 0.268 0.000 2.289 194 D HA -0.011 4.764 4.640 0.224 0.000 0.207 194 D C 0.211 176.609 176.300 0.164 0.000 0.966 194 D CA 1.400 55.522 54.000 0.204 0.000 0.868 194 D CB 0.343 41.236 40.800 0.154 0.000 0.943 194 D HN 0.067 8.478 8.370 0.255 0.111 0.514 195 S N -0.533 115.260 115.700 0.155 0.000 2.715 195 S HA -0.619 4.068 4.470 0.140 -0.133 0.318 195 S C 0.940 175.545 174.600 0.008 0.000 1.242 195 S CA 2.432 60.697 58.200 0.107 0.000 1.044 195 S CB -0.099 63.175 63.200 0.124 0.000 0.760 195 S HN -0.589 7.802 8.310 0.187 0.031 0.501 196 G N 4.868 113.667 108.800 -0.002 0.000 2.253 196 G HA2 -0.446 3.563 3.960 -0.036 0.000 0.251 196 G HA3 -0.446 3.573 3.960 -0.083 -0.109 0.251 196 G C -0.324 174.602 174.900 0.043 0.000 0.998 196 G CA 0.159 45.243 45.100 -0.027 0.000 0.621 196 G HN 0.743 9.059 8.290 0.043 0.000 0.524 197 G N 0.756 109.608 108.800 0.086 0.000 2.588 197 G HA2 0.425 4.518 3.960 0.110 0.000 0.281 197 G HA3 0.425 4.454 3.960 0.115 0.000 0.281 197 G C -2.732 172.245 174.900 0.129 0.000 1.236 197 G CA -2.088 43.080 45.100 0.112 0.000 0.969 197 G HN -0.153 8.112 8.290 0.095 0.082 0.504 198 P HA 0.373 4.991 4.420 0.114 -0.130 0.281 198 P C -1.603 175.753 177.300 0.093 0.000 1.249 198 P CA -0.938 62.244 63.100 0.137 0.000 0.810 198 P CB 1.627 33.460 31.700 0.223 0.000 1.008 199 V N 2.259 122.203 119.914 0.049 0.000 2.380 199 V HA 0.267 4.523 4.120 -0.036 -0.158 0.286 199 V C -1.288 174.805 176.094 -0.000 0.000 1.015 199 V CA -0.453 61.836 62.300 -0.019 0.000 0.834 199 V CB 1.709 33.484 31.823 -0.079 0.000 1.009 199 V HN -0.209 8.017 8.190 0.060 0.000 0.428 200 V N 8.121 128.029 119.914 -0.011 0.000 2.417 200 V HA 0.642 4.897 4.120 -0.080 -0.183 0.291 200 V C -1.265 174.805 176.094 -0.040 0.000 1.024 200 V CA -1.279 60.987 62.300 -0.057 0.000 0.861 200 V CB 2.944 34.701 31.823 -0.109 0.000 0.985 200 V HN 0.498 8.697 8.190 0.014 0.000 0.436 201 c N 7.214 125.779 118.600 -0.058 0.000 2.498 201 c HA 0.568 5.115 4.570 -0.039 0.000 0.316 201 c C 0.249 174.308 174.090 -0.052 0.000 1.209 201 c CA -1.354 54.941 56.329 -0.056 0.000 1.518 201 c CB 2.556 45.013 42.510 -0.088 0.000 2.147 201 c HN 0.511 8.699 8.230 -0.070 0.000 0.483 202 S N 3.818 119.496 115.700 -0.036 0.000 3.521 202 S HA -0.445 4.014 4.470 -0.019 0.000 0.362 202 S C 0.320 174.900 174.600 -0.033 0.000 1.044 202 S CA 1.160 59.342 58.200 -0.030 0.000 1.091 202 S CB -1.825 61.353 63.200 -0.036 0.000 0.908 202 S HN 1.041 9.334 8.310 -0.028 0.000 0.473 203 G N -5.065 103.714 108.800 -0.036 0.000 2.153 203 G HA2 -0.508 3.420 3.960 -0.054 0.000 0.252 203 G HA3 -0.508 3.433 3.960 -0.032 0.000 0.252 203 G C -1.123 173.727 174.900 -0.083 0.000 0.994 203 G CA 0.368 45.437 45.100 -0.051 0.000 0.698 203 G HN 0.222 8.476 8.290 -0.029 0.019 0.521 210 Q N 1.284 121.102 119.800 0.029 0.000 2.402 210 Q HA 0.213 4.595 4.340 0.070 0.000 0.231 210 Q C -0.246 175.922 176.000 0.280 0.000 0.888 210 Q CA 0.185 56.036 55.803 0.080 0.000 0.938 210 Q CB 2.925 31.636 28.738 -0.046 0.000 1.086 210 Q HN 0.364 8.640 8.270 0.009 0.000 0.543 211 G N -3.118 105.854 108.800 0.286 0.000 2.680 211 G HA2 0.613 5.045 3.960 0.376 0.000 0.290 211 G HA3 0.613 4.788 3.960 0.358 0.000 0.290 211 G C -3.200 171.802 174.900 0.170 0.000 1.355 211 G CA -0.912 44.379 45.100 0.319 0.000 0.903 211 G HN -0.367 8.023 8.290 0.167 0.000 0.474 212 I N -1.063 119.605 120.570 0.164 0.000 2.466 212 I HA 0.546 5.018 4.170 0.145 -0.215 0.289 212 I C -0.415 175.833 176.117 0.220 0.000 1.026 212 I CA -1.352 60.038 61.300 0.149 0.000 1.078 212 I CB 4.200 42.248 38.000 0.079 0.000 1.249 212 I HN -0.441 7.931 8.210 0.139 -0.078 0.429 213 V N 7.420 127.483 119.914 0.248 0.000 2.509 213 V HA -0.236 3.996 4.120 0.186 0.000 0.297 213 V C -1.156 174.964 176.094 0.044 0.000 1.014 213 V CA 2.194 64.602 62.300 0.181 0.000 1.127 213 V CB -1.023 30.913 31.823 0.188 0.000 0.925 213 V HN 0.462 8.775 8.190 0.205 0.000 0.480 214 S N 7.270 122.894 115.700 -0.127 0.000 3.334 214 S HA 0.370 5.032 4.470 0.320 0.000 0.224 214 S C -1.519 173.166 174.600 0.142 0.000 0.959 214 S CA 1.023 59.286 58.200 0.106 0.000 0.815 214 S CB 2.615 65.865 63.200 0.083 0.000 0.861 214 S HN -0.077 7.943 8.310 -0.483 0.000 0.596 215 W N -4.283 116.859 121.300 -0.263 0.000 3.018 215 W HA 0.281 4.834 4.660 -0.178 0.000 0.382 215 W C -2.803 173.545 176.519 -0.286 0.000 1.161 215 W CA -0.878 56.318 57.345 -0.248 0.000 1.144 215 W CB 1.351 30.654 29.460 -0.261 0.000 1.499 215 W HN -0.318 7.541 8.180 -0.535 0.000 0.596 216 G N -3.467 105.376 108.800 0.071 0.000 2.368 216 G HA2 0.063 3.744 3.960 -0.464 0.000 0.293 216 G HA3 0.063 3.959 3.960 -0.106 0.000 0.293 216 G C -2.114 172.918 174.900 0.220 0.000 1.467 216 G CA 0.137 45.189 45.100 -0.080 0.000 0.804 216 G HN -0.040 8.464 8.290 0.357 0.000 0.535 220 c N 1.956 120.595 118.600 0.065 0.000 3.465 220 c HA 0.307 5.047 4.570 0.067 -0.130 0.193 220 c C -1.507 172.617 174.090 0.055 0.000 1.515 220 c CA -0.800 55.565 56.329 0.060 0.000 1.340 220 c CB -1.273 41.267 42.510 0.050 0.000 1.928 220 c HN 0.343 8.607 8.230 0.057 0.000 0.510 221 Q N -1.476 118.357 119.800 0.056 0.000 2.920 221 Q HA 0.115 4.476 4.340 0.035 0.000 0.255 221 Q C -1.391 174.631 176.000 0.037 0.000 0.976 221 Q CA -0.610 55.219 55.803 0.042 0.000 0.862 221 Q CB 2.510 31.274 28.738 0.044 0.000 1.952 221 Q HN 0.224 8.533 8.270 0.065 0.000 0.489 222 K N 4.105 124.520 120.400 0.026 0.000 2.448 222 K HA -0.258 4.200 4.320 0.033 -0.118 0.278 222 K C 0.216 176.815 176.600 -0.002 0.000 1.009 222 K CA 0.730 57.029 56.287 0.020 0.000 0.995 222 K CB -0.018 32.491 32.500 0.014 0.000 0.917 222 K HN 0.272 8.536 8.250 0.023 0.000 0.481 223 N N 1.717 120.411 118.700 -0.010 0.000 2.815 223 N HA -0.476 4.236 4.740 -0.046 0.000 0.247 223 N C -1.563 173.875 175.510 -0.120 0.000 1.030 223 N CA 1.913 54.929 53.050 -0.056 0.000 0.881 223 N CB -0.312 38.139 38.487 -0.061 0.000 1.134 223 N HN 0.756 9.017 8.380 0.011 0.126 0.582 224 K N -1.636 118.719 120.400 -0.075 0.000 2.606 224 K HA 0.538 4.636 4.320 -0.370 0.000 0.196 224 K C -2.261 174.373 176.600 0.057 0.000 1.048 224 K CA -3.433 52.795 56.287 -0.098 0.000 1.017 224 K CB -0.322 32.186 32.500 0.013 0.000 1.413 224 K HN -0.741 7.427 8.250 -0.016 0.072 0.568 225 P HA -0.086 4.390 4.420 0.093 0.000 0.272 225 P C -0.536 176.807 177.300 0.071 0.000 1.254 225 P CA -0.321 62.839 63.100 0.101 0.000 0.795 225 P CB 1.056 32.805 31.700 0.082 0.000 1.022 226 G N -2.606 106.190 108.800 -0.007 0.000 2.476 226 G HA2 0.363 4.206 3.960 -0.377 0.000 0.269 226 G HA3 0.363 4.154 3.960 -0.282 0.000 0.269 226 G C -1.861 172.694 174.900 -0.574 0.000 1.195 226 G CA -0.817 44.094 45.100 -0.316 0.000 0.843 226 G HN -0.397 7.951 8.290 0.096 0.000 0.545 227 V N 2.055 121.306 119.914 -1.104 0.000 2.495 227 V HA 0.600 4.449 4.120 -0.727 -0.165 0.298 227 V C -1.018 174.311 176.094 -1.275 0.000 1.031 227 V CA -1.013 60.591 62.300 -1.160 0.000 0.871 227 V CB 2.200 32.844 31.823 -1.965 0.000 0.988 227 V HN 0.445 7.946 8.190 -1.148 0.000 0.432 228 Y N 5.279 125.170 120.300 -0.682 0.000 2.485 228 Y HA 0.599 5.068 4.550 -0.383 -0.148 0.345 228 Y C 0.220 175.828 175.900 -0.487 0.000 0.998 228 Y CA -2.264 55.448 58.100 -0.647 0.000 1.059 228 Y CB 3.711 41.526 38.460 -1.075 0.000 1.234 228 Y HN 0.907 8.792 8.280 -0.657 0.000 0.461 229 T N 4.373 118.883 114.554 -0.073 0.000 2.901 229 T HA -0.013 4.537 4.350 0.082 -0.151 0.301 229 T C -0.556 174.247 174.700 0.173 0.000 1.012 229 T CA 1.558 63.693 62.100 0.057 0.000 1.135 229 T CB 0.570 69.456 68.868 0.030 0.000 0.936 229 T HN 0.313 8.544 8.240 -0.015 0.000 0.539 230 K N 7.930 128.522 120.400 0.320 0.000 2.150 230 K HA 0.111 4.818 4.320 0.646 0.000 0.261 230 K C 0.922 177.765 176.600 0.406 0.000 1.127 230 K CA -0.625 55.928 56.287 0.444 0.000 0.989 230 K CB -0.452 32.263 32.500 0.359 0.000 1.475 230 K HN 0.060 8.395 8.250 0.309 0.100 0.391 231 V N 5.550 125.686 119.914 0.370 0.000 2.380 231 V HA -0.563 3.835 4.120 0.463 0.000 0.251 231 V C 1.490 177.743 176.094 0.265 0.000 1.063 231 V CA 3.982 66.486 62.300 0.339 0.000 1.055 231 V CB -0.357 31.597 31.823 0.218 0.000 0.657 231 V HN 0.152 8.568 8.190 0.376 0.000 0.455 232 c N -2.967 115.731 118.600 0.163 0.000 2.410 232 c HA -0.255 4.363 4.570 0.079 0.000 0.281 232 c C 1.802 175.920 174.090 0.046 0.000 1.318 232 c CA 1.989 58.368 56.329 0.083 0.000 1.776 232 c CB -2.078 40.453 42.510 0.035 0.000 1.942 232 c HN 0.499 8.810 8.230 0.165 0.018 0.508 233 N N 0.049 118.747 118.700 -0.004 0.000 2.494 233 N HA -0.110 4.543 4.740 -0.146 0.000 0.182 233 N C -0.022 175.277 175.510 -0.352 0.000 1.076 233 N CA 1.318 54.231 53.050 -0.227 0.000 0.908 233 N CB -0.294 37.931 38.487 -0.436 0.000 0.967 233 N HN -0.290 8.102 8.380 0.069 0.029 0.449 234 Y N -4.907 115.458 120.300 0.108 0.000 2.531 234 Y HA 0.117 4.796 4.550 0.215 0.000 0.249 234 Y C 0.244 176.278 175.900 0.224 0.000 1.168 234 Y CA -0.162 58.056 58.100 0.197 0.000 1.226 234 Y CB -0.072 38.517 38.460 0.215 0.000 1.177 234 Y HN -0.141 8.074 8.280 0.212 0.192 0.527 235 V N 1.300 121.350 119.914 0.227 0.000 2.332 235 V HA -0.582 3.632 4.120 0.157 0.000 0.248 235 V C 1.307 177.474 176.094 0.122 0.000 1.055 235 V CA 5.055 67.445 62.300 0.150 0.000 1.038 235 V CB -0.551 31.323 31.823 0.084 0.000 0.651 235 V HN -0.897 7.390 8.190 0.162 0.000 0.450 236 S N 0.022 115.796 115.700 0.122 0.000 2.368 236 S HA -0.338 4.158 4.470 0.043 0.000 0.225 236 S C 1.670 176.348 174.600 0.130 0.000 1.030 236 S CA 3.521 61.777 58.200 0.092 0.000 0.999 236 S CB -0.486 62.765 63.200 0.085 0.000 0.844 236 S HN 0.197 8.577 8.310 0.117 0.000 0.459 237 W N 3.912 125.248 121.300 0.061 0.000 2.379 237 W HA -0.121 4.565 4.660 0.044 0.000 0.307 237 W C 1.397 177.932 176.519 0.026 0.000 1.200 237 W CA 3.062 60.453 57.345 0.078 0.000 1.297 237 W CB 0.055 29.643 29.460 0.214 0.000 1.140 237 W HN -0.448 7.955 8.180 0.390 0.011 0.507 238 I N -0.891 119.685 120.570 0.009 0.000 2.127 238 I HA -0.777 3.014 4.170 -0.632 0.000 0.241 238 I C 1.869 177.764 176.117 -0.370 0.000 1.075 238 I CA 4.666 65.798 61.300 -0.279 0.000 1.334 238 I CB -0.249 37.752 38.000 0.002 0.000 1.040 238 I HN 0.363 8.775 8.210 0.338 0.000 0.405 239 K N -1.150 119.130 120.400 -0.199 0.000 2.009 239 K HA -0.455 3.729 4.320 -0.227 0.000 0.210 239 K C 2.738 179.191 176.600 -0.245 0.000 1.049 239 K CA 3.803 59.971 56.287 -0.198 0.000 0.929 239 K CB -0.404 32.039 32.500 -0.094 0.000 0.714 239 K HN -0.152 8.047 8.250 -0.086 0.000 0.440 240 Q N -1.533 118.133 119.800 -0.223 0.000 2.050 240 Q HA -0.305 3.943 4.340 -0.154 0.000 0.202 240 Q C 2.676 178.482 176.000 -0.323 0.000 0.980 240 Q CA 3.268 58.946 55.803 -0.208 0.000 0.840 240 Q CB 0.005 28.671 28.738 -0.121 0.000 0.898 240 Q HN 0.049 8.215 8.270 -0.173 0.000 0.424 241 T N 3.192 117.421 114.554 -0.541 0.000 2.708 241 T HA -0.257 3.838 4.350 -0.425 0.000 0.266 241 T C 2.581 176.938 174.700 -0.572 0.000 1.037 241 T CA 4.944 66.674 62.100 -0.617 0.000 1.146 241 T CB -0.214 67.967 68.868 -1.144 0.000 0.865 241 T HN 0.209 7.943 8.240 -0.665 0.106 0.435 242 I N 1.278 121.417 120.570 -0.719 0.000 2.226 242 I HA -0.520 2.884 4.170 -1.277 0.000 0.245 242 I C 1.775 177.659 176.117 -0.388 0.000 1.100 242 I CA 3.773 64.548 61.300 -0.875 0.000 1.374 242 I CB -0.521 36.908 38.000 -0.952 0.000 1.057 242 I HN 0.164 7.953 8.210 -0.701 0.000 0.413 243 A N 0.370 123.018 122.820 -0.287 0.000 1.883 243 A HA -0.243 4.011 4.320 -0.110 0.000 0.217 243 A C 1.527 179.053 177.584 -0.096 0.000 1.186 243 A CA 3.159 55.107 52.037 -0.148 0.000 0.624 243 A CB -0.263 18.660 19.000 -0.128 0.000 0.822 243 A HN 0.049 8.000 8.150 -0.331 0.000 0.444 244 S N -4.439 111.192 115.700 -0.115 0.000 2.603 244 S HA -0.041 4.408 4.470 -0.036 0.000 0.220 244 S C 0.244 174.835 174.600 -0.014 0.000 0.967 244 S CA 0.838 59.004 58.200 -0.058 0.000 0.920 244 S CB 0.269 63.429 63.200 -0.066 0.000 0.773 244 S HN -0.051 8.156 8.310 -0.171 0.000 0.529 245 N N 0.000 118.709 118.700 0.015 0.000 1.763 245 N HA 0.000 4.802 4.740 0.104 0.000 0.220 245 N CA 0.000 53.137 53.050 0.144 0.000 0.885 245 N CB 0.000 38.635 38.487 0.247 0.000 1.341 245 N HN 0.000 8.170 8.380 -0.036 0.189 0.667