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 1o3n_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 4.188 4.170 0.030 0.000 0.288 16 I C 0.000 176.110 176.117 -0.012 0.000 1.063 16 I CA 0.000 61.299 61.300 -0.001 0.000 1.566 16 I CB 0.000 37.965 38.000 -0.059 0.000 1.214 17 V N 5.547 125.465 119.914 0.006 0.000 2.483 17 V HA 0.239 4.482 4.120 -0.017 -0.134 0.295 17 V C 0.625 176.718 176.094 -0.001 0.000 1.035 17 V CA -1.594 60.704 62.300 -0.002 0.000 0.896 17 V CB 1.240 33.069 31.823 0.009 0.000 0.986 17 V HN 0.785 8.992 8.190 0.028 0.000 0.447 18 G N 6.414 115.208 108.800 -0.011 0.000 2.153 18 G HA2 -0.399 3.551 3.960 -0.017 0.000 0.252 18 G HA3 -0.399 3.697 3.960 -0.033 -0.156 0.252 18 G C -0.604 174.298 174.900 0.004 0.000 0.994 18 G CA 0.531 45.622 45.100 -0.016 0.000 0.698 18 G HN 0.788 9.070 8.290 -0.014 0.000 0.521 19 G N -1.124 107.677 108.800 0.001 0.000 2.671 19 G HA2 0.502 4.489 3.960 0.060 0.000 0.275 19 G HA3 0.502 4.478 3.960 -0.103 -0.077 0.275 19 G C -1.728 173.204 174.900 0.053 0.000 1.368 19 G CA -1.080 44.016 45.100 -0.007 0.000 1.044 19 G HN -0.672 7.569 8.290 -0.016 0.039 0.543 20 Y N -6.241 114.038 120.300 -0.035 0.000 2.638 20 Y HA 0.387 4.919 4.550 -0.031 0.000 0.339 20 Y C -1.737 174.136 175.900 -0.045 0.000 1.084 20 Y CA -2.894 55.185 58.100 -0.034 0.000 1.068 20 Y CB 1.146 39.588 38.460 -0.029 0.000 1.294 20 Y HN 0.327 8.141 8.280 -0.603 0.105 0.480 21 T N 2.480 117.092 114.554 0.097 0.000 2.799 21 T HA 0.093 4.523 4.350 -0.092 -0.135 0.296 21 T C 0.219 174.949 174.700 0.049 0.000 0.947 21 T CA 1.053 63.156 62.100 0.006 0.000 1.141 21 T CB -0.062 68.834 68.868 0.046 0.000 0.891 21 T HN 0.020 8.368 8.240 0.180 0.000 0.533 22 c N 6.305 124.839 118.600 -0.110 0.000 2.429 22 c HA -0.086 4.503 4.570 0.032 0.000 0.277 22 c C 0.275 174.383 174.090 0.031 0.000 1.262 22 c CA 0.618 56.913 56.329 -0.057 0.000 1.733 22 c CB 0.262 42.665 42.510 -0.178 0.000 2.010 22 c HN 0.034 8.145 8.230 -0.198 0.000 0.483 23 G N -1.788 107.015 108.800 0.004 0.000 2.885 23 G HA2 -0.173 3.803 3.960 0.027 0.000 0.685 23 G HA3 -0.173 3.805 3.960 0.031 0.000 0.685 23 G C -1.863 173.038 174.900 0.002 0.000 1.216 23 G CA -0.770 44.342 45.100 0.020 0.000 0.790 23 G HN -0.365 7.910 8.290 -0.025 0.000 0.631 24 A N 3.871 126.701 122.820 0.016 0.000 2.567 24 A HA -0.242 4.273 4.320 0.030 -0.178 0.240 24 A C -0.271 177.318 177.584 0.008 0.000 1.053 24 A CA 1.030 53.080 52.037 0.022 0.000 0.755 24 A CB 0.057 19.077 19.000 0.033 0.000 0.978 24 A HN 0.326 8.490 8.150 0.023 0.000 0.507 25 N N -2.455 116.247 118.700 0.004 0.000 2.708 25 N HA -0.376 4.351 4.740 -0.022 0.000 0.249 25 N C 0.460 175.948 175.510 -0.036 0.000 1.097 25 N CA 1.661 54.703 53.050 -0.014 0.000 0.710 25 N CB -1.259 37.232 38.487 0.006 0.000 1.032 25 N HN 0.581 8.972 8.380 0.018 0.000 0.551 26 T N -3.652 110.871 114.554 -0.051 0.000 3.081 26 T HA 0.024 4.362 4.350 -0.019 0.000 0.255 26 T C 0.027 174.669 174.700 -0.097 0.000 1.113 26 T CA 2.086 64.161 62.100 -0.042 0.000 1.082 26 T CB 0.504 69.362 68.868 -0.017 0.000 0.939 26 T HN -0.531 7.645 8.240 -0.056 0.030 0.506 27 V N 2.465 122.259 119.914 -0.200 0.000 2.260 27 V HA 0.395 4.246 4.120 -0.448 0.000 0.263 27 V C -1.529 174.247 176.094 -0.529 0.000 1.036 27 V CA -3.314 58.710 62.300 -0.460 0.000 0.874 27 V CB 0.542 32.078 31.823 -0.479 0.000 1.116 27 V HN -0.490 7.542 8.190 -0.169 0.056 0.454 28 P HA 0.073 4.538 4.420 -0.097 -0.103 0.230 28 P C 0.037 177.282 177.300 -0.092 0.000 1.158 28 P CA 1.523 64.542 63.100 -0.135 0.000 0.769 28 P CB 0.121 31.816 31.700 -0.009 0.000 0.807 29 Y N -6.171 114.154 120.300 0.042 0.000 2.482 29 Y HA 0.473 5.189 4.550 0.057 -0.132 0.270 29 Y C -0.489 175.448 175.900 0.061 0.000 1.152 29 Y CA -3.168 54.962 58.100 0.051 0.000 1.292 29 Y CB -1.199 37.287 38.460 0.043 0.000 1.070 29 Y HN -0.430 7.201 8.280 -0.990 0.056 0.528 30 Q N 2.871 122.541 119.800 -0.218 0.000 2.313 30 Q HA 0.137 4.672 4.340 0.106 -0.131 0.266 30 Q C -0.307 175.778 176.000 0.142 0.000 0.989 30 Q CA 0.264 56.054 55.803 -0.021 0.000 0.890 30 Q CB 0.973 29.595 28.738 -0.194 0.000 1.200 30 Q HN -0.626 7.160 8.270 -0.533 0.164 0.396 31 V N 1.313 121.348 119.914 0.202 0.000 3.001 31 V HA 0.827 5.181 4.120 0.190 -0.120 0.314 31 V C -1.999 174.242 176.094 0.245 0.000 1.099 31 V CA -2.856 59.557 62.300 0.187 0.000 0.989 31 V CB 4.024 35.908 31.823 0.101 0.000 1.040 31 V HN 0.329 8.636 8.190 0.194 0.000 0.434 32 S N 0.861 116.616 115.700 0.091 0.000 2.473 32 S HA 0.470 5.175 4.470 0.211 -0.108 0.307 32 S C -1.141 173.348 174.600 -0.185 0.000 1.094 32 S CA -2.277 55.921 58.200 -0.004 0.000 1.070 32 S CB 1.741 64.725 63.200 -0.361 0.000 1.019 32 S HN 0.085 8.407 8.310 0.020 0.000 0.480 33 L N 7.019 128.001 121.223 -0.402 0.000 2.275 33 L HA 0.514 4.769 4.340 -0.350 -0.125 0.288 33 L C -1.561 174.884 176.870 -0.708 0.000 1.046 33 L CA -0.801 53.681 54.840 -0.598 0.000 0.805 33 L CB 0.962 42.454 42.059 -0.944 0.000 1.193 33 L HN 0.800 8.749 8.230 -0.469 0.000 0.426 38 G N 0.648 109.350 108.800 -0.162 0.000 2.179 38 G HA2 -0.327 3.618 3.960 -0.024 0.000 0.220 38 G HA3 -0.327 3.686 3.960 0.089 0.000 0.220 38 G C -1.910 173.078 174.900 0.147 0.000 0.990 38 G CA 0.184 45.291 45.100 0.013 0.000 0.646 38 G HN 0.340 8.817 8.290 -0.194 -0.302 0.517 39 Y N -7.466 112.808 120.300 -0.043 0.000 2.687 39 Y HA 0.186 4.701 4.550 -0.058 0.000 0.338 39 Y C -2.528 173.372 175.900 -0.001 0.000 1.189 39 Y CA -3.488 54.591 58.100 -0.036 0.000 1.097 39 Y CB 0.715 39.154 38.460 -0.035 0.000 1.342 39 Y HN -1.255 6.843 8.280 -0.346 -0.026 0.461 40 H N 2.880 121.911 119.070 -0.064 0.000 2.767 40 H HA 0.022 4.548 4.556 -0.320 -0.161 0.316 40 H C -0.437 174.867 175.328 -0.039 0.000 1.059 40 H CA -0.259 55.675 56.048 -0.190 0.000 1.461 40 H CB 0.307 29.934 29.762 -0.225 0.000 1.475 40 H HN 0.352 8.740 8.280 0.180 0.000 0.531 41 F N 2.417 121.897 119.950 -0.783 0.000 2.819 41 F HA 0.315 4.717 4.527 -0.208 0.000 0.325 41 F C -1.521 174.005 175.800 -0.457 0.000 1.041 41 F CA -0.631 57.103 58.000 -0.443 0.000 1.184 41 F CB 1.595 40.397 39.000 -0.329 0.000 1.019 41 F HN 0.101 7.689 8.300 -1.188 0.000 0.590 42 c N -1.689 116.195 118.600 -1.192 0.000 3.321 42 c HA 0.360 4.788 4.570 -0.237 0.000 0.329 42 c C -1.680 172.195 174.090 -0.358 0.000 1.394 42 c CA -0.267 55.721 56.329 -0.568 0.000 1.291 42 c CB 4.082 46.304 42.510 -0.480 0.000 1.606 42 c HN -0.818 6.407 8.230 -1.674 0.000 0.463 43 G N -1.065 107.712 108.800 -0.039 0.000 2.601 43 G HA2 0.815 5.061 3.960 0.225 0.000 0.317 43 G HA3 0.815 4.894 3.960 0.198 0.000 0.317 43 G C -2.538 172.380 174.900 0.030 0.000 1.246 43 G CA -1.652 43.523 45.100 0.126 0.000 1.012 43 G HN 0.837 9.110 8.290 -0.029 0.000 0.494 44 G N -3.991 104.863 108.800 0.090 0.000 2.506 44 G HA2 0.528 4.808 3.960 0.067 0.000 0.292 44 G HA3 0.528 4.517 3.960 0.048 0.000 0.292 44 G C -2.903 172.081 174.900 0.140 0.000 1.425 44 G CA 0.306 45.453 45.100 0.079 0.000 0.788 44 G HN -0.602 7.778 8.290 0.149 0.000 0.490 45 S N -0.361 115.426 115.700 0.146 0.000 2.532 45 S HA 0.770 5.599 4.470 0.278 -0.193 0.299 45 S C -1.286 173.416 174.600 0.171 0.000 1.105 45 S CA -0.902 57.417 58.200 0.200 0.000 1.018 45 S CB 3.657 66.954 63.200 0.160 0.000 1.021 45 S HN 0.407 8.789 8.310 0.120 0.000 0.483 46 L N 6.367 127.709 121.223 0.197 0.000 2.313 46 L HA 0.144 4.682 4.340 0.148 -0.109 0.282 46 L C -0.773 176.183 176.870 0.142 0.000 1.092 46 L CA -0.060 54.877 54.840 0.162 0.000 0.831 46 L CB 0.967 43.121 42.059 0.159 0.000 1.159 46 L HN 0.390 8.777 8.230 0.262 0.000 0.442 47 I N 0.171 120.822 120.570 0.135 0.000 4.035 47 I HA 0.486 4.843 4.170 0.068 -0.146 0.321 47 I C -0.908 175.269 176.117 0.100 0.000 1.289 47 I CA -0.502 60.855 61.300 0.095 0.000 1.236 47 I CB 0.988 39.033 38.000 0.075 0.000 1.076 47 I HN 0.341 8.650 8.210 0.164 0.000 0.418 48 N N -2.386 116.398 118.700 0.140 0.000 3.106 48 N HA 0.191 4.989 4.740 0.097 0.000 0.253 48 N C -0.453 175.139 175.510 0.136 0.000 1.506 48 N CA -0.707 52.422 53.050 0.131 0.000 0.876 48 N CB 0.985 39.562 38.487 0.150 0.000 1.452 48 N HN -0.919 7.562 8.380 0.169 0.000 0.542 49 S N -3.375 112.392 115.700 0.110 0.000 2.507 49 S HA -0.327 4.187 4.470 0.073 0.000 0.235 49 S C 0.818 175.452 174.600 0.057 0.000 0.988 49 S CA 2.780 61.027 58.200 0.078 0.000 0.944 49 S CB -0.094 63.140 63.200 0.057 0.000 0.762 49 S HN 0.393 8.764 8.310 0.103 0.000 0.526 50 Q N -0.434 119.414 119.800 0.081 0.000 2.164 50 Q HA 0.336 4.617 4.340 -0.099 0.000 0.226 50 Q C -2.095 173.770 176.000 -0.226 0.000 0.813 50 Q CA -0.489 55.262 55.803 -0.086 0.000 0.978 50 Q CB 2.559 31.218 28.738 -0.131 0.000 1.149 50 Q HN 0.138 8.812 8.270 0.178 -0.296 0.489 51 W N -2.115 119.191 121.300 0.010 0.000 2.915 51 W HA 0.682 5.540 4.660 0.005 -0.195 0.337 51 W C -1.495 175.036 176.519 0.021 0.000 1.102 51 W CA -1.079 56.270 57.345 0.007 0.000 1.224 51 W CB 3.829 33.283 29.460 -0.009 0.000 1.416 51 W HN -0.277 8.192 8.180 0.266 -0.129 0.503 52 V N 1.171 121.245 119.914 0.266 0.000 2.823 52 V HA 0.788 5.184 4.120 0.170 -0.174 0.312 52 V C -1.524 174.682 176.094 0.186 0.000 1.072 52 V CA -1.689 60.718 62.300 0.177 0.000 0.937 52 V CB 3.767 35.651 31.823 0.102 0.000 1.013 52 V HN 0.797 9.156 8.190 0.282 0.000 0.430 53 V N 5.630 125.632 119.914 0.146 0.000 2.513 53 V HA 0.731 5.109 4.120 0.154 -0.165 0.299 53 V C -1.335 174.816 176.094 0.094 0.000 1.035 53 V CA -1.239 61.139 62.300 0.131 0.000 0.889 53 V CB 2.573 34.466 31.823 0.118 0.000 0.988 53 V HN 0.540 8.811 8.190 0.135 0.000 0.440 54 S N 4.136 119.878 115.700 0.070 0.000 2.973 54 S HA 0.566 5.264 4.470 0.027 -0.212 0.317 54 S C -2.087 172.503 174.600 -0.018 0.000 1.196 54 S CA -2.512 55.700 58.200 0.019 0.000 0.894 54 S CB 2.460 65.656 63.200 -0.008 0.000 1.292 54 S HN 0.676 9.038 8.310 0.087 0.000 0.614 55 A N -0.636 122.130 122.820 -0.090 0.000 2.306 55 A HA 0.464 4.877 4.320 -0.097 -0.151 0.314 55 A C 0.500 177.965 177.584 -0.198 0.000 1.164 55 A CA -1.662 50.285 52.037 -0.149 0.000 0.822 55 A CB 1.593 20.443 19.000 -0.251 0.000 1.130 55 A HN 0.290 8.372 8.150 -0.115 0.000 0.496 56 A N 4.942 127.594 122.820 -0.279 0.000 1.972 56 A HA -0.258 3.921 4.320 -0.235 0.000 0.219 56 A C 1.354 178.706 177.584 -0.386 0.000 1.169 56 A CA 2.884 54.639 52.037 -0.470 0.000 0.635 56 A CB -0.441 17.877 19.000 -1.138 0.000 0.810 56 A HN 0.673 8.684 8.150 -0.261 -0.018 0.446 57 H N -4.785 114.125 119.070 -0.266 0.000 2.563 57 H HA -0.087 4.502 4.556 0.055 0.000 0.272 57 H C 0.146 175.521 175.328 0.079 0.000 1.005 57 H CA 1.412 57.463 56.048 0.004 0.000 1.171 57 H CB -1.269 28.562 29.762 0.115 0.000 1.351 57 H HN -0.060 8.405 8.280 -0.161 -0.282 0.602 58 c N -1.336 117.189 118.600 -0.124 0.000 2.791 58 c HA -0.017 4.627 4.570 0.123 0.000 0.270 58 c C -0.950 173.219 174.090 0.131 0.000 1.257 58 c CA 0.166 56.514 56.329 0.032 0.000 1.699 58 c CB -1.332 41.143 42.510 -0.058 0.000 1.904 58 c HN -0.596 7.324 8.230 -0.200 0.189 0.603 59 Y N 2.524 122.828 120.300 0.005 0.000 2.702 59 Y HA -0.190 4.379 4.550 0.032 0.000 0.336 59 Y C -1.492 174.395 175.900 -0.021 0.000 1.235 59 Y CA 1.519 59.624 58.100 0.008 0.000 1.492 59 Y CB 0.956 39.405 38.460 -0.018 0.000 1.308 59 Y HN -0.452 7.740 8.280 0.153 0.179 0.589 60 K N 5.411 125.006 120.400 -1.343 0.000 2.772 60 K HA 0.179 4.013 4.320 -0.810 0.000 0.292 60 K C -2.524 173.569 176.600 -0.844 0.000 1.049 60 K CA -1.082 54.652 56.287 -0.921 0.000 0.846 60 K CB 2.063 34.212 32.500 -0.584 0.000 1.514 60 K HN -0.054 7.285 8.250 -1.518 0.000 0.373 61 S N -0.460 114.964 115.700 -0.461 0.000 2.713 61 S HA 0.135 4.450 4.470 -0.259 0.000 0.283 61 S C 0.793 175.267 174.600 -0.211 0.000 1.161 61 S CA -0.392 57.654 58.200 -0.257 0.000 0.999 61 S CB 1.203 64.338 63.200 -0.108 0.000 1.039 61 S HN -0.176 7.924 8.310 -0.350 0.000 0.548 62 G N -0.110 108.606 108.800 -0.139 0.000 2.256 62 G HA2 -0.248 3.659 3.960 -0.088 0.000 0.272 62 G HA3 -0.248 3.636 3.960 -0.127 0.000 0.272 62 G C -1.543 173.285 174.900 -0.120 0.000 1.076 62 G CA 0.142 45.171 45.100 -0.119 0.000 0.882 62 G HN 0.314 8.539 8.290 -0.108 0.000 0.497 63 I N -1.106 119.406 120.570 -0.097 0.000 2.353 63 I HA 0.088 4.253 4.170 -0.007 0.000 0.293 63 I C -1.659 174.419 176.117 -0.065 0.000 0.992 63 I CA -0.724 60.548 61.300 -0.046 0.000 1.268 63 I CB 0.891 38.883 38.000 -0.013 0.000 1.387 63 I HN -0.473 7.678 8.210 -0.099 0.000 0.478 64 Q N 7.038 126.786 119.800 -0.087 0.000 3.184 64 Q HA 0.555 4.941 4.340 -0.081 -0.094 0.236 64 Q C -1.678 174.239 176.000 -0.138 0.000 1.038 64 Q CA -1.995 53.740 55.803 -0.113 0.000 0.857 64 Q CB 4.311 32.949 28.738 -0.166 0.000 1.957 64 Q HN 0.442 8.663 8.270 -0.081 0.000 0.453 65 R N -2.537 117.911 120.500 -0.087 0.000 2.937 65 R HA 0.436 5.035 4.340 0.149 -0.170 0.273 65 R C -1.365 174.976 176.300 0.068 0.000 1.176 65 R CA 0.030 56.125 56.100 -0.009 0.000 1.132 65 R CB 2.512 32.674 30.300 -0.230 0.000 1.270 65 R HN 0.531 8.731 8.270 -0.118 0.000 0.425 70 E N -0.815 119.485 120.200 0.167 0.000 2.319 70 E HA 0.089 4.520 4.350 0.135 0.000 0.268 70 E C -1.432 175.362 176.600 0.323 0.000 1.050 70 E CA 0.578 57.090 56.400 0.188 0.000 0.878 70 E CB 1.393 31.127 29.700 0.056 0.000 1.066 70 E HN -0.582 7.851 8.360 0.186 0.038 0.406 71 D N 1.230 121.801 120.400 0.284 0.000 2.900 71 D HA 0.051 4.943 4.640 0.421 0.000 0.175 71 D C -1.225 175.281 176.300 0.343 0.000 1.476 71 D CA 1.514 55.705 54.000 0.318 0.000 1.488 71 D CB 2.433 43.324 40.800 0.151 0.000 1.426 71 D HN 0.204 8.681 8.370 0.178 0.000 0.295 72 N N 0.831 119.634 118.700 0.171 0.000 2.420 72 N HA 0.278 5.253 4.740 0.172 -0.132 0.249 72 N C 1.943 177.453 175.510 -0.001 0.000 1.033 72 N CA -1.215 51.903 53.050 0.113 0.000 0.944 72 N CB 0.546 39.078 38.487 0.075 0.000 1.113 72 N HN -0.521 7.936 8.380 0.128 0.000 0.502 73 I N 1.011 121.488 120.570 -0.155 0.000 3.176 73 I HA -0.163 3.965 4.170 -0.297 -0.136 0.275 73 I C -0.471 175.562 176.117 -0.141 0.000 1.298 73 I CA 1.646 62.761 61.300 -0.308 0.000 1.445 73 I CB -0.735 36.865 38.000 -0.667 0.000 1.075 73 I HN 0.382 8.510 8.210 -0.136 0.000 0.482 74 N N -2.188 116.477 118.700 -0.059 0.000 2.236 74 N HA 0.134 4.858 4.740 -0.027 0.000 0.196 74 N C -0.683 174.834 175.510 0.012 0.000 1.114 74 N CA 0.790 53.830 53.050 -0.018 0.000 0.859 74 N CB 1.760 40.247 38.487 -0.000 0.000 0.982 74 N HN -0.197 8.416 8.380 -0.038 -0.255 0.493 75 V N 0.377 120.303 119.914 0.020 0.000 2.588 75 V HA 0.045 4.185 4.120 0.032 0.000 0.304 75 V C -1.432 174.688 176.094 0.043 0.000 1.042 75 V CA -1.068 61.252 62.300 0.033 0.000 0.877 75 V CB 2.896 34.736 31.823 0.029 0.000 0.996 75 V HN -0.847 7.393 8.190 0.011 -0.043 0.425 76 V N 7.269 127.207 119.914 0.039 0.000 2.461 76 V HA -0.176 4.149 4.120 0.036 -0.183 0.275 76 V C 0.033 176.128 176.094 0.002 0.000 1.047 76 V CA 0.641 62.952 62.300 0.018 0.000 0.955 76 V CB 0.244 32.057 31.823 -0.017 0.000 0.988 76 V HN 0.257 8.468 8.190 0.035 0.000 0.471 77 E N 7.351 127.551 120.200 0.001 0.000 2.572 77 E HA 0.173 4.524 4.350 0.001 0.000 0.220 77 E C -0.451 176.144 176.600 -0.009 0.000 0.945 77 E CA -0.585 55.816 56.400 0.002 0.000 1.070 77 E CB 1.061 30.772 29.700 0.019 0.000 1.090 77 E HN 0.430 9.293 8.360 0.002 -0.502 0.506 78 G N 0.432 109.216 108.800 -0.026 0.000 2.576 78 G HA2 -0.229 3.697 3.960 -0.057 0.000 0.686 78 G HA3 -0.229 3.717 3.960 -0.025 0.000 0.686 78 G C -1.684 173.201 174.900 -0.025 0.000 1.242 78 G CA -0.643 44.435 45.100 -0.035 0.000 0.819 78 G HN -0.431 8.219 8.290 -0.036 -0.382 0.655 79 N N -3.814 114.866 118.700 -0.034 0.000 2.980 79 N HA -0.284 4.445 4.740 -0.019 0.000 0.213 79 N C -1.038 174.460 175.510 -0.020 0.000 0.892 79 N CA 1.326 54.365 53.050 -0.017 0.000 1.025 79 N CB -0.257 38.234 38.487 0.007 0.000 1.030 79 N HN 0.162 8.514 8.380 -0.047 0.000 0.585 80 E N -1.186 118.982 120.200 -0.053 0.000 2.366 80 E HA 0.249 4.842 4.350 0.035 -0.222 0.266 80 E C -0.062 176.461 176.600 -0.129 0.000 1.051 80 E CA 0.365 56.732 56.400 -0.055 0.000 0.884 80 E CB 0.599 30.230 29.700 -0.114 0.000 1.006 80 E HN -0.208 8.012 8.360 -0.073 0.097 0.417 81 Q N 3.139 122.933 119.800 -0.010 0.000 2.292 81 Q HA 0.325 4.598 4.340 -0.112 0.000 0.270 81 Q C -1.620 174.505 176.000 0.208 0.000 1.024 81 Q CA -1.243 54.557 55.803 -0.005 0.000 0.768 81 Q CB 3.533 32.286 28.738 0.025 0.000 1.250 81 Q HN 0.344 8.676 8.270 0.104 0.000 0.447 82 F N 3.702 123.633 119.950 -0.031 0.000 2.388 82 F HA 0.341 5.014 4.527 -0.046 -0.173 0.358 82 F C -0.062 175.715 175.800 -0.039 0.000 1.122 82 F CA -3.134 54.842 58.000 -0.040 0.000 1.056 82 F CB 0.517 39.492 39.000 -0.043 0.000 1.155 82 F HN 0.324 8.636 8.300 0.020 0.000 0.461 83 I N 4.125 124.770 120.570 0.125 0.000 2.582 83 I HA 0.247 4.444 4.170 0.046 0.000 0.292 83 I C -1.215 174.902 176.117 -0.000 0.000 1.066 83 I CA -1.393 59.933 61.300 0.043 0.000 1.053 83 I CB 3.947 41.957 38.000 0.016 0.000 1.241 83 I HN 0.699 8.970 8.210 0.101 0.000 0.421 84 S N 5.571 121.262 115.700 -0.015 0.000 2.592 84 S HA 0.081 4.631 4.470 -0.045 -0.108 0.271 84 S C -0.438 174.127 174.600 -0.058 0.000 1.326 84 S CA 0.760 58.937 58.200 -0.038 0.000 1.024 84 S CB 1.000 64.179 63.200 -0.035 0.000 0.921 84 S HN 0.405 8.711 8.310 -0.007 0.000 0.527 85 A N 2.798 125.580 122.820 -0.065 0.000 2.363 85 A HA 0.164 4.520 4.320 -0.103 -0.098 0.270 85 A C -0.534 177.000 177.584 -0.084 0.000 1.121 85 A CA -0.304 51.684 52.037 -0.081 0.000 0.800 85 A CB 0.620 19.583 19.000 -0.061 0.000 1.052 85 A HN -0.177 7.937 8.150 -0.060 0.000 0.493 86 S N 3.568 119.196 115.700 -0.119 0.000 2.404 86 S HA 0.022 4.448 4.470 -0.073 0.000 0.223 86 S C 0.459 175.016 174.600 -0.072 0.000 1.040 86 S CA 1.335 59.475 58.200 -0.100 0.000 0.957 86 S CB 0.897 64.013 63.200 -0.139 0.000 0.826 86 S HN 0.782 8.878 8.310 -0.169 0.113 0.491 87 K N -0.197 120.153 120.400 -0.083 0.000 2.556 87 K HA 0.268 4.605 4.320 0.030 0.000 0.274 87 K C -2.359 174.264 176.600 0.038 0.000 0.966 87 K CA -0.615 55.671 56.287 -0.002 0.000 0.865 87 K CB 3.413 35.921 32.500 0.014 0.000 1.444 87 K HN -0.803 7.359 8.250 -0.147 0.000 0.433 88 S N 0.831 116.611 115.700 0.133 0.000 2.532 88 S HA 0.762 5.519 4.470 0.170 -0.184 0.299 88 S C -0.909 173.817 174.600 0.209 0.000 1.105 88 S CA -0.527 57.794 58.200 0.202 0.000 1.018 88 S CB 2.737 66.125 63.200 0.312 0.000 1.021 88 S HN 0.125 8.528 8.310 0.155 0.000 0.483 89 I N 7.203 127.907 120.570 0.222 0.000 2.390 89 I HA 0.114 4.374 4.170 0.150 0.000 0.283 89 I C -1.593 174.666 176.117 0.238 0.000 1.016 89 I CA -0.790 60.635 61.300 0.209 0.000 1.151 89 I CB 1.593 39.728 38.000 0.224 0.000 1.293 89 I HN 1.008 9.260 8.210 0.250 0.107 0.458 90 V N 7.776 127.767 119.914 0.127 0.000 2.649 90 V HA -0.130 4.042 4.120 0.087 0.000 0.292 90 V C -0.286 175.894 176.094 0.143 0.000 1.055 90 V CA -0.703 61.641 62.300 0.074 0.000 1.023 90 V CB 0.988 32.758 31.823 -0.087 0.000 0.992 90 V HN 0.348 8.569 8.190 0.050 0.000 0.480 91 H N 8.360 127.412 119.070 -0.030 0.000 3.034 91 H HA -0.050 4.322 4.556 -0.308 0.000 0.324 91 H C -0.341 174.954 175.328 -0.055 0.000 1.015 91 H CA 0.243 56.143 56.048 -0.248 0.000 1.429 91 H CB 1.571 31.026 29.762 -0.511 0.000 1.429 91 H HN -0.200 8.121 8.280 0.068 0.000 0.585 92 P HA -0.100 4.340 4.420 0.032 0.000 0.219 92 P C -0.388 176.972 177.300 0.100 0.000 1.146 92 P CA 1.409 64.501 63.100 -0.014 0.000 0.808 92 P CB 0.339 32.007 31.700 -0.055 0.000 0.779 93 S N -3.620 112.249 115.700 0.282 0.000 2.583 93 S HA 0.044 4.574 4.470 0.100 0.000 0.239 93 S C -0.607 174.086 174.600 0.154 0.000 0.966 93 S CA 0.039 58.360 58.200 0.202 0.000 0.973 93 S CB 0.389 63.699 63.200 0.182 0.000 0.794 93 S HN -0.400 8.214 8.310 0.564 0.035 0.463 94 Y N 3.663 124.002 120.300 0.064 0.000 2.526 94 Y HA -0.278 4.429 4.550 -0.058 -0.191 0.330 94 Y C -0.947 174.943 175.900 -0.018 0.000 1.156 94 Y CA 0.708 58.801 58.100 -0.011 0.000 1.419 94 Y CB 0.864 39.326 38.460 0.003 0.000 1.250 94 Y HN -0.724 7.667 8.280 0.322 0.082 0.540 95 N N 7.378 125.692 118.700 -0.643 0.000 2.479 95 N HA 0.217 4.672 4.740 -0.475 0.000 0.261 95 N C -0.203 174.781 175.510 -0.877 0.000 0.979 95 N CA -1.340 51.359 53.050 -0.585 0.000 0.930 95 N CB 1.773 40.085 38.487 -0.291 0.000 1.172 95 N HN -0.258 7.846 8.380 -0.459 0.000 0.499 96 S N 6.989 122.183 115.700 -0.843 0.000 2.481 96 S HA -0.091 4.010 4.470 -0.615 0.000 0.231 96 S C 0.745 175.166 174.600 -0.300 0.000 0.996 96 S CA 2.421 60.297 58.200 -0.539 0.000 0.942 96 S CB -0.174 62.886 63.200 -0.234 0.000 0.768 96 S HN 0.630 8.546 8.310 -0.657 0.000 0.520 97 N N 1.908 120.439 118.700 -0.281 0.000 2.368 97 N HA 0.023 4.641 4.740 -0.203 0.000 0.176 97 N C 1.007 176.356 175.510 -0.268 0.000 1.021 97 N CA 2.268 55.184 53.050 -0.225 0.000 0.888 97 N CB 0.533 38.916 38.487 -0.174 0.000 0.995 97 N HN 0.290 8.719 8.380 -0.305 -0.231 0.437 98 T N -4.285 110.105 114.554 -0.274 0.000 2.990 98 T HA 0.081 4.229 4.350 -0.336 0.000 0.250 98 T C 0.082 174.594 174.700 -0.314 0.000 1.041 98 T CA 0.259 62.189 62.100 -0.284 0.000 1.010 98 T CB 1.819 70.577 68.868 -0.183 0.000 1.003 98 T HN -0.440 7.892 8.240 -0.274 -0.256 0.499 99 L N -3.354 117.718 121.223 -0.252 0.000 4.089 99 L HA -0.505 3.939 4.340 0.055 -0.071 0.408 99 L C -1.877 175.024 176.870 0.052 0.000 1.184 99 L CA 0.409 55.211 54.840 -0.063 0.000 0.947 99 L CB -2.623 39.351 42.059 -0.141 0.000 2.066 99 L HN -0.092 7.961 8.230 -0.296 0.000 0.851 100 N N -1.046 117.640 118.700 -0.022 0.000 2.530 100 N HA -0.152 4.637 4.740 0.083 0.000 0.273 100 N C 0.066 175.616 175.510 0.066 0.000 1.173 100 N CA 0.558 53.627 53.050 0.033 0.000 0.967 100 N CB 1.268 39.747 38.487 -0.014 0.000 1.109 100 N HN -0.754 7.516 8.380 -0.118 0.039 0.453 101 N N -1.018 117.713 118.700 0.052 0.000 2.756 101 N HA -0.467 4.173 4.740 -0.167 0.000 0.248 101 N C -1.443 174.040 175.510 -0.045 0.000 1.062 101 N CA 1.378 54.352 53.050 -0.127 0.000 0.696 101 N CB -1.585 36.705 38.487 -0.329 0.000 0.946 101 N HN 0.586 9.025 8.380 0.098 0.000 0.548 102 D N -1.082 119.338 120.400 0.032 0.000 2.608 102 D HA 0.041 4.695 4.640 0.024 0.000 0.224 102 D C -1.686 174.528 176.300 -0.143 0.000 1.123 102 D CA -0.417 53.606 54.000 0.040 0.000 1.030 102 D CB -0.776 40.141 40.800 0.196 0.000 1.093 102 D HN -0.115 8.285 8.370 0.051 0.000 0.497 103 I N 1.853 122.276 120.570 -0.246 0.000 2.802 103 I HA 0.568 4.829 4.170 -0.120 -0.163 0.298 103 I C -3.075 173.008 176.117 -0.056 0.000 1.176 103 I CA -1.433 59.753 61.300 -0.189 0.000 1.025 103 I CB 4.183 41.947 38.000 -0.392 0.000 1.243 103 I HN -0.225 7.790 8.210 -0.260 0.039 0.424 104 M N 6.428 126.064 119.600 0.059 0.000 2.421 104 M HA 0.700 5.494 4.480 0.244 -0.167 0.287 104 M C -2.785 173.643 176.300 0.214 0.000 1.183 104 M CA -1.022 54.373 55.300 0.158 0.000 0.916 104 M CB 4.810 37.456 32.600 0.077 0.000 1.701 104 M HN 0.426 8.745 8.290 0.048 0.000 0.470 105 L N 3.184 124.570 121.223 0.272 0.000 2.334 105 L HA 0.845 5.508 4.340 0.259 -0.168 0.276 105 L C -1.281 175.779 176.870 0.316 0.000 1.014 105 L CA -1.453 53.563 54.840 0.293 0.000 0.815 105 L CB 3.137 45.346 42.059 0.249 0.000 1.268 105 L HN 0.422 8.837 8.230 0.308 0.000 0.428 106 I N 0.810 121.549 120.570 0.281 0.000 2.498 106 I HA 0.590 4.997 4.170 0.090 -0.183 0.290 106 I C -1.659 174.396 176.117 -0.104 0.000 1.032 106 I CA -1.376 59.982 61.300 0.096 0.000 1.073 106 I CB 3.404 41.434 38.000 0.049 0.000 1.251 106 I HN 0.719 9.120 8.210 0.318 0.000 0.426 107 K N 6.422 126.552 120.400 -0.450 0.000 2.156 107 K HA 0.655 4.238 4.320 -1.486 -0.155 0.271 107 K C -1.160 175.134 176.600 -0.510 0.000 0.995 107 K CA -1.848 53.800 56.287 -1.065 0.000 0.890 107 K CB 3.026 34.732 32.500 -1.325 0.000 1.073 107 K HN 0.572 8.652 8.250 -0.284 0.000 0.454 108 L N 4.082 125.043 121.223 -0.437 0.000 2.375 108 L HA 0.231 4.568 4.340 -0.176 -0.103 0.271 108 L C 1.774 178.524 176.870 -0.200 0.000 1.107 108 L CA -0.225 54.479 54.840 -0.228 0.000 0.806 108 L CB 0.534 42.503 42.059 -0.150 0.000 1.146 108 L HN 0.785 8.572 8.230 -0.561 0.106 0.447 109 K N 3.253 123.576 120.400 -0.128 0.000 2.097 109 K HA -0.324 3.931 4.320 -0.108 0.000 0.206 109 K C -0.563 175.988 176.600 -0.082 0.000 1.049 109 K CA 2.611 58.840 56.287 -0.096 0.000 0.933 109 K CB 0.381 32.843 32.500 -0.063 0.000 0.717 109 K HN 0.696 8.883 8.250 -0.106 0.000 0.442 110 S N -4.035 111.624 115.700 -0.070 0.000 2.595 110 S HA 0.113 4.551 4.470 -0.053 0.000 0.281 110 S C -1.712 172.858 174.600 -0.049 0.000 1.117 110 S CA -1.059 57.111 58.200 -0.051 0.000 0.873 110 S CB 2.722 65.904 63.200 -0.030 0.000 1.108 110 S HN -0.365 7.905 8.310 -0.067 0.000 0.477 111 A N -0.399 122.401 122.820 -0.034 0.000 2.407 111 A HA 0.064 4.504 4.320 -0.031 -0.138 0.248 111 A C -0.286 177.295 177.584 -0.004 0.000 1.082 111 A CA -0.098 51.928 52.037 -0.019 0.000 0.785 111 A CB 0.558 19.557 19.000 -0.001 0.000 1.020 111 A HN 0.231 8.364 8.150 -0.028 0.000 0.489 112 A N 0.985 123.809 122.820 0.007 0.000 2.304 112 A HA 0.160 4.558 4.320 0.013 -0.070 0.271 112 A C -0.462 177.133 177.584 0.020 0.000 1.091 112 A CA -1.160 50.888 52.037 0.018 0.000 0.812 112 A CB 1.309 20.328 19.000 0.032 0.000 1.056 112 A HN 0.365 8.412 8.150 0.010 0.109 0.489 113 S N 0.117 115.827 115.700 0.017 0.000 2.430 113 S HA 0.104 4.584 4.470 0.016 0.000 0.289 113 S C -0.606 174.009 174.600 0.024 0.000 1.143 113 S CA -0.704 57.505 58.200 0.016 0.000 1.067 113 S CB 0.343 63.547 63.200 0.006 0.000 0.964 113 S HN 0.073 8.762 8.310 0.015 -0.371 0.485 114 L N 5.861 127.102 121.223 0.029 0.000 2.399 114 L HA 0.191 4.669 4.340 0.041 -0.114 0.266 114 L C -0.481 176.407 176.870 0.030 0.000 1.114 114 L CA -0.203 54.659 54.840 0.037 0.000 0.804 114 L CB 0.793 42.879 42.059 0.044 0.000 1.146 114 L HN 0.174 8.421 8.230 0.028 0.000 0.451 115 N N 2.094 120.813 118.700 0.032 0.000 3.669 115 N HA 0.096 4.851 4.740 0.025 0.000 0.357 115 N C -1.499 174.029 175.510 0.030 0.000 1.397 115 N CA -0.249 52.817 53.050 0.026 0.000 0.725 115 N CB 0.517 39.015 38.487 0.019 0.000 2.980 115 N HN 0.551 8.848 8.380 0.039 0.107 0.498 116 S N -3.244 112.472 115.700 0.026 0.000 2.503 116 S HA 0.035 4.526 4.470 0.035 0.000 0.217 116 S C 0.579 175.194 174.600 0.026 0.000 0.999 116 S CA 1.546 59.763 58.200 0.028 0.000 0.914 116 S CB 0.494 63.708 63.200 0.022 0.000 0.782 116 S HN -0.016 8.307 8.310 0.021 0.000 0.520 117 R N -1.011 119.502 120.500 0.022 0.000 2.223 117 R HA 0.169 4.516 4.340 0.011 0.000 0.198 117 R C -1.328 174.986 176.300 0.024 0.000 0.984 117 R CA 0.091 56.202 56.100 0.018 0.000 1.018 117 R CB 1.181 31.491 30.300 0.017 0.000 0.945 117 R HN 0.120 8.768 8.270 0.022 -0.365 0.479 118 V N -1.778 118.157 119.914 0.035 0.000 2.482 118 V HA 0.327 4.682 4.120 0.048 -0.206 0.295 118 V C -2.152 173.979 176.094 0.062 0.000 1.026 118 V CA -1.126 61.203 62.300 0.049 0.000 0.856 118 V CB 2.819 34.669 31.823 0.046 0.000 1.001 118 V HN -0.673 7.704 8.190 0.033 -0.168 0.424 119 A N 6.076 128.950 122.820 0.089 0.000 2.606 119 A HA 0.490 4.861 4.320 0.084 0.000 0.293 119 A C -2.874 174.800 177.584 0.150 0.000 1.082 119 A CA -0.833 51.267 52.037 0.106 0.000 0.685 119 A CB 3.252 22.317 19.000 0.108 0.000 1.284 119 A HN 0.176 8.280 8.150 0.099 0.106 0.408 120 S N -1.423 114.351 115.700 0.125 0.000 2.693 120 S HA 0.557 5.268 4.470 0.162 -0.144 0.276 120 S C -0.660 173.998 174.600 0.097 0.000 1.192 120 S CA -0.796 57.479 58.200 0.125 0.000 0.994 120 S CB 1.614 64.868 63.200 0.089 0.000 1.012 120 S HN 0.001 8.369 8.310 0.097 0.000 0.550 121 I N 0.581 121.164 120.570 0.021 0.000 2.562 121 I HA 0.254 4.365 4.170 -0.098 0.000 0.301 121 I C -1.151 174.919 176.117 -0.079 0.000 1.003 121 I CA -1.521 59.699 61.300 -0.133 0.000 1.127 121 I CB 3.972 41.675 38.000 -0.496 0.000 1.304 121 I HN -0.005 8.229 8.210 0.040 0.000 0.446 122 S N 6.111 121.765 115.700 -0.078 0.000 2.601 122 S HA 0.245 4.701 4.470 -0.024 0.000 0.271 122 S C -0.632 173.941 174.600 -0.045 0.000 1.305 122 S CA -0.365 57.809 58.200 -0.043 0.000 1.022 122 S CB 0.844 64.024 63.200 -0.033 0.000 0.940 122 S HN 0.278 8.531 8.310 -0.095 0.000 0.525 123 L N 2.120 123.331 121.223 -0.021 0.000 2.421 123 L HA 0.166 4.505 4.340 -0.002 0.000 0.263 123 L C -1.278 175.588 176.870 -0.006 0.000 1.122 123 L CA -2.050 52.788 54.840 -0.003 0.000 0.804 123 L CB 0.191 42.257 42.059 0.012 0.000 1.150 123 L HN 0.193 8.413 8.230 -0.016 0.000 0.457 124 P HA 0.131 4.539 4.420 -0.020 0.000 0.276 124 P C -1.207 176.091 177.300 -0.004 0.000 1.244 124 P CA -0.720 62.375 63.100 -0.008 0.000 0.801 124 P CB 0.787 32.481 31.700 -0.010 0.000 1.006 128 c N 0.573 119.145 118.600 -0.047 0.000 2.580 128 c HA 0.057 4.584 4.570 -0.071 0.000 0.371 128 c C 0.037 174.064 174.090 -0.105 0.000 1.308 128 c CA -0.581 55.704 56.329 -0.074 0.000 2.428 128 c CB 0.443 42.915 42.510 -0.064 0.000 2.529 128 c HN -0.033 8.173 8.230 -0.040 0.000 0.657 129 A N 0.871 123.590 122.820 -0.168 0.000 2.295 129 A HA 0.111 4.355 4.320 -0.127 0.000 0.318 129 A C -0.990 176.487 177.584 -0.178 0.000 1.134 129 A CA -0.425 51.505 52.037 -0.178 0.000 0.827 129 A CB 1.342 20.197 19.000 -0.240 0.000 1.136 129 A HN 0.238 8.256 8.150 -0.220 0.000 0.493 133 G N 0.668 109.430 108.800 -0.063 0.000 2.268 133 G HA2 -0.313 3.615 3.960 -0.053 0.000 0.240 133 G HA3 -0.313 3.620 3.960 -0.044 0.000 0.240 133 G C -0.060 174.803 174.900 -0.061 0.000 1.010 133 G CA 0.124 45.191 45.100 -0.055 0.000 0.618 133 G HN 0.739 8.882 8.290 -0.066 0.108 0.516 134 T N 3.753 118.259 114.554 -0.080 0.000 2.902 134 T HA -0.192 4.122 4.350 -0.061 0.000 0.301 134 T C -0.914 173.743 174.700 -0.073 0.000 1.012 134 T CA 2.502 64.554 62.100 -0.080 0.000 1.151 134 T CB 0.710 69.511 68.868 -0.112 0.000 0.946 134 T HN -0.560 7.538 8.240 -0.094 0.086 0.542 135 Q N 6.107 125.879 119.800 -0.047 0.000 2.267 135 Q HA 0.167 4.602 4.340 -0.037 -0.116 0.255 135 Q C -0.876 175.108 176.000 -0.026 0.000 0.923 135 Q CA 0.426 56.212 55.803 -0.027 0.000 0.925 135 Q CB 1.339 30.077 28.738 -0.001 0.000 1.195 135 Q HN 0.194 8.440 8.270 -0.040 0.000 0.417 136 c N 3.161 121.747 118.600 -0.023 0.000 3.044 136 c HA 0.531 5.195 4.570 -0.015 -0.103 0.315 136 c C -1.882 172.215 174.090 0.012 0.000 1.320 136 c CA -1.496 54.821 56.329 -0.020 0.000 1.582 136 c CB 4.272 46.750 42.510 -0.054 0.000 2.039 136 c HN 0.855 8.964 8.230 -0.022 0.108 0.466 137 L N 0.906 122.143 121.223 0.024 0.000 2.313 137 L HA 0.869 5.422 4.340 0.054 -0.180 0.283 137 L C -2.121 174.764 176.870 0.026 0.000 1.013 137 L CA -1.340 53.528 54.840 0.046 0.000 0.816 137 L CB 3.057 45.165 42.059 0.082 0.000 1.236 137 L HN 0.637 8.769 8.230 0.017 0.108 0.419 138 I N 7.333 127.904 120.570 0.002 0.000 2.474 138 I HA 0.865 5.274 4.170 0.016 -0.229 0.294 138 I C -1.316 174.772 176.117 -0.047 0.000 1.005 138 I CA -1.564 59.733 61.300 -0.004 0.000 1.113 138 I CB 2.634 40.635 38.000 0.002 0.000 1.289 138 I HN 0.941 9.153 8.210 0.003 0.000 0.436 139 S N 2.026 117.692 115.700 -0.057 0.000 2.618 139 S HA 1.017 5.516 4.470 -0.217 -0.159 0.277 139 S C -1.199 173.288 174.600 -0.188 0.000 1.138 139 S CA -1.705 56.387 58.200 -0.180 0.000 0.844 139 S CB 3.751 66.805 63.200 -0.243 0.000 1.127 139 S HN -0.190 8.119 8.310 -0.003 0.000 0.474 140 G N -1.364 107.233 108.800 -0.339 0.000 2.321 140 G HA2 0.142 3.873 3.960 -0.382 0.000 0.298 140 G HA3 0.142 4.212 3.960 -0.044 -0.136 0.298 140 G C -2.371 172.318 174.900 -0.351 0.000 1.385 140 G CA 0.572 45.503 45.100 -0.282 0.000 0.856 140 G HN 0.306 8.335 8.290 -0.435 0.000 0.584 141 W N 1.025 122.288 121.300 -0.063 0.000 3.015 141 W HA 0.383 5.002 4.660 -0.070 0.000 0.429 141 W C -0.234 176.335 176.519 0.084 0.000 0.976 141 W CA -0.960 56.318 57.345 -0.111 0.000 2.086 141 W CB 0.182 29.367 29.460 -0.458 0.000 1.125 141 W HN 0.588 8.936 8.180 0.280 0.000 0.721 142 G N 0.745 109.729 108.800 0.307 0.000 2.588 142 G HA2 -0.027 4.305 3.960 0.607 0.000 0.281 142 G HA3 -0.027 4.292 3.960 0.314 -0.171 0.281 142 G C -0.986 174.051 174.900 0.228 0.000 1.236 142 G CA -0.851 44.483 45.100 0.391 0.000 0.969 142 G HN -0.394 8.170 8.290 0.190 -0.161 0.504 143 N N -0.485 118.260 118.700 0.075 0.000 2.294 143 N HA -0.314 4.081 4.740 -0.894 -0.192 0.248 143 N C 0.829 176.239 175.510 -0.165 0.000 1.242 143 N CA 1.131 53.937 53.050 -0.406 0.000 0.848 143 N CB 0.646 38.903 38.487 -0.384 0.000 1.084 143 N HN 0.218 8.796 8.380 0.330 0.000 0.457 144 T N 0.418 114.863 114.554 -0.181 0.000 3.092 144 T HA 0.208 4.643 4.350 -0.056 -0.118 0.258 144 T C 0.049 174.703 174.700 -0.076 0.000 1.031 144 T CA 0.117 62.166 62.100 -0.086 0.000 0.925 144 T CB 1.066 69.897 68.868 -0.062 0.000 1.036 144 T HN 0.311 8.390 8.240 -0.268 0.000 0.544 145 K N 2.178 122.519 120.400 -0.099 0.000 2.316 145 K HA 0.304 4.598 4.320 -0.042 0.000 0.251 145 K C -0.445 176.131 176.600 -0.040 0.000 0.934 145 K CA -1.058 55.192 56.287 -0.062 0.000 0.802 145 K CB 2.900 35.358 32.500 -0.069 0.000 1.171 145 K HN -0.669 7.686 8.250 -0.152 -0.197 0.426 146 S N 0.338 116.029 115.700 -0.015 0.000 2.478 146 S HA -0.090 4.385 4.470 0.010 0.000 0.222 146 S C -0.176 174.429 174.600 0.007 0.000 1.008 146 S CA 1.173 59.376 58.200 0.004 0.000 0.928 146 S CB 1.015 64.223 63.200 0.014 0.000 0.781 146 S HN 0.155 8.457 8.310 -0.014 0.000 0.518 147 S N 0.743 116.442 115.700 -0.001 0.000 2.542 147 S HA 0.185 4.662 4.470 0.012 0.000 0.245 147 S C -0.915 173.683 174.600 -0.003 0.000 1.325 147 S CA -0.204 57.999 58.200 0.005 0.000 1.176 147 S CB 0.328 63.532 63.200 0.007 0.000 1.045 147 S HN -0.521 7.748 8.310 -0.009 0.036 0.481 148 G N 1.783 110.582 108.800 -0.001 0.000 2.440 148 G HA2 -0.218 3.749 3.960 0.012 0.000 0.684 148 G HA3 -0.218 3.738 3.960 -0.007 0.000 0.684 148 G C -2.622 172.258 174.900 -0.033 0.000 1.309 148 G CA -0.837 44.260 45.100 -0.004 0.000 0.931 148 G HN -0.232 8.062 8.290 0.007 0.000 0.612 149 T N -3.332 111.206 114.554 -0.027 0.000 2.794 149 T HA 0.071 4.427 4.350 -0.243 -0.152 0.280 149 T C -1.261 173.339 174.700 -0.166 0.000 0.987 149 T CA -1.518 60.512 62.100 -0.115 0.000 0.993 149 T CB 1.710 70.646 68.868 0.113 0.000 0.939 149 T HN -0.165 8.080 8.240 0.009 0.000 0.449 150 S N 4.030 119.505 115.700 -0.375 0.000 2.737 150 S HA 0.210 4.645 4.470 -0.058 0.000 0.269 150 S C -2.137 172.252 174.600 -0.351 0.000 1.150 150 S CA -0.313 57.769 58.200 -0.198 0.000 1.077 150 S CB 1.101 64.232 63.200 -0.115 0.000 1.075 150 S HN 0.718 9.043 8.310 -0.630 -0.393 0.476 151 Y N 5.661 126.000 120.300 0.066 0.000 2.330 151 Y HA 0.231 4.838 4.550 0.095 0.000 0.336 151 Y C -0.802 175.148 175.900 0.082 0.000 1.036 151 Y CA -2.753 55.400 58.100 0.088 0.000 1.125 151 Y CB 1.051 39.574 38.460 0.105 0.000 1.194 151 Y HN 0.112 8.502 8.280 0.184 0.000 0.469 152 P HA 0.343 4.835 4.420 0.120 0.000 0.279 152 P C -1.503 175.919 177.300 0.204 0.000 1.276 152 P CA -0.780 62.418 63.100 0.162 0.000 0.801 152 P CB 1.922 33.693 31.700 0.118 0.000 1.127 153 D N -2.598 117.901 120.400 0.166 0.000 2.323 153 D HA -0.057 4.649 4.640 0.111 0.000 0.218 153 D C -1.276 175.174 176.300 0.251 0.000 0.973 153 D CA 1.235 55.323 54.000 0.147 0.000 0.890 153 D CB 0.883 41.740 40.800 0.095 0.000 1.011 153 D HN 0.391 8.841 8.370 0.132 0.000 0.499 154 V N -7.879 112.180 119.914 0.241 0.000 2.975 154 V HA 0.732 5.401 4.120 0.424 -0.295 0.318 154 V C -0.730 175.425 176.094 0.101 0.000 1.077 154 V CA -2.905 59.553 62.300 0.263 0.000 1.000 154 V CB 2.116 34.009 31.823 0.118 0.000 1.066 154 V HN -0.906 7.383 8.190 0.165 0.000 0.452 155 L N 2.156 123.303 121.223 -0.127 0.000 2.499 155 L HA -0.073 3.424 4.340 -1.405 0.000 0.273 155 L C -0.258 176.349 176.870 -0.438 0.000 1.195 155 L CA 0.920 55.314 54.840 -0.743 0.000 0.882 155 L CB 0.505 42.100 42.059 -0.775 0.000 1.133 155 L HN 0.068 8.510 8.230 0.104 -0.149 0.483 156 K N 5.936 126.059 120.400 -0.462 0.000 2.156 156 K HA 0.703 4.994 4.320 -0.328 -0.168 0.254 156 K C -1.120 175.226 176.600 -0.423 0.000 0.950 156 K CA -2.548 53.528 56.287 -0.352 0.000 0.849 156 K CB 2.410 34.771 32.500 -0.232 0.000 1.100 156 K HN -0.051 7.850 8.250 -0.582 0.000 0.434 157 c N -0.404 117.847 118.600 -0.580 0.000 2.707 157 c HA 0.984 5.494 4.570 -0.397 -0.178 0.313 157 c C -1.734 171.990 174.090 -0.609 0.000 1.209 157 c CA -0.798 55.139 56.329 -0.653 0.000 1.635 157 c CB 3.604 45.563 42.510 -0.918 0.000 2.206 157 c HN 0.745 8.564 8.230 -0.684 0.000 0.485 158 L N 0.146 121.216 121.223 -0.256 0.000 2.526 158 L HA 0.376 4.750 4.340 0.057 0.000 0.263 158 L C -2.531 174.402 176.870 0.105 0.000 0.943 158 L CA 0.195 55.029 54.840 -0.010 0.000 0.859 158 L CB 4.459 46.534 42.059 0.027 0.000 1.313 158 L HN 0.745 8.861 8.230 -0.190 0.000 0.406 159 K N 5.791 126.317 120.400 0.211 0.000 2.213 159 K HA 0.867 5.484 4.320 0.127 -0.220 0.270 159 K C -0.999 175.739 176.600 0.229 0.000 1.002 159 K CA -1.535 54.862 56.287 0.183 0.000 0.868 159 K CB 1.136 33.749 32.500 0.189 0.000 1.093 159 K HN 0.330 8.739 8.250 0.265 0.000 0.454 160 A N 4.263 127.154 122.820 0.119 0.000 2.515 160 A HA 0.680 5.016 4.320 0.028 0.000 0.298 160 A C -3.359 174.163 177.584 -0.102 0.000 1.059 160 A CA -2.945 49.097 52.037 0.008 0.000 0.698 160 A CB 3.082 22.085 19.000 0.005 0.000 1.289 160 A HN 0.867 9.054 8.150 0.061 0.000 0.404 161 P HA 0.742 5.318 4.420 -0.097 -0.214 0.282 161 P C -1.038 176.193 177.300 -0.115 0.000 1.259 161 P CA -1.521 61.493 63.100 -0.144 0.000 0.826 161 P CB 1.602 33.215 31.700 -0.145 0.000 1.064 162 I N -0.003 120.518 120.570 -0.082 0.000 2.529 162 I HA -0.035 4.295 4.170 0.082 -0.112 0.284 162 I C 0.112 176.217 176.117 -0.021 0.000 1.082 162 I CA 0.567 61.849 61.300 -0.031 0.000 1.406 162 I CB 0.462 38.359 38.000 -0.172 0.000 1.405 162 I HN 0.019 8.171 8.210 -0.098 0.000 0.548 163 L N 6.170 127.417 121.223 0.039 0.000 2.400 163 L HA 0.304 4.634 4.340 -0.017 0.000 0.264 163 L C -0.180 176.706 176.870 0.027 0.000 1.061 163 L CA -1.172 53.678 54.840 0.017 0.000 0.799 163 L CB 0.908 42.985 42.059 0.029 0.000 1.240 163 L HN 0.451 8.645 8.230 0.122 0.109 0.461 164 S N -1.793 113.915 115.700 0.014 0.000 2.600 164 S HA -0.087 4.388 4.470 0.008 0.000 0.265 164 S C 0.399 175.022 174.600 0.037 0.000 1.325 164 S CA -0.953 57.256 58.200 0.015 0.000 1.002 164 S CB 1.848 65.052 63.200 0.006 0.000 0.921 164 S HN -0.099 8.215 8.310 0.005 0.000 0.554 165 D N 1.461 121.884 120.400 0.038 0.000 2.144 165 D HA -0.234 4.451 4.640 0.076 0.000 0.199 165 D C 1.747 178.075 176.300 0.047 0.000 0.984 165 D CA 3.335 57.367 54.000 0.054 0.000 0.834 165 D CB -0.261 40.567 40.800 0.046 0.000 0.955 165 D HN 0.550 8.935 8.370 0.026 0.000 0.465 166 S N -1.131 114.587 115.700 0.031 0.000 2.368 166 S HA -0.326 4.162 4.470 0.030 0.000 0.225 166 S C 2.228 176.842 174.600 0.024 0.000 1.030 166 S CA 3.661 61.877 58.200 0.026 0.000 0.999 166 S CB -0.281 62.928 63.200 0.016 0.000 0.844 166 S HN 0.011 8.336 8.310 0.025 0.000 0.459 167 S N 3.220 118.932 115.700 0.020 0.000 2.383 167 S HA -0.238 4.231 4.470 -0.001 0.000 0.227 167 S C 1.843 176.454 174.600 0.017 0.000 1.026 167 S CA 3.862 62.068 58.200 0.009 0.000 0.981 167 S CB -0.151 63.052 63.200 0.005 0.000 0.818 167 S HN -0.544 7.778 8.310 0.020 0.000 0.472 168 c N 3.639 122.269 118.600 0.050 0.000 2.436 168 c HA -0.309 4.317 4.570 0.092 0.000 0.277 168 c C 1.731 175.887 174.090 0.110 0.000 1.241 168 c CA 2.777 59.162 56.329 0.093 0.000 1.721 168 c CB -1.738 40.841 42.510 0.115 0.000 2.043 168 c HN -0.132 8.129 8.230 0.052 0.000 0.472 169 K N -0.952 119.504 120.400 0.093 0.000 2.147 169 K HA -0.333 4.072 4.320 0.141 0.000 0.205 169 K C 2.520 179.157 176.600 0.061 0.000 1.049 169 K CA 3.057 59.402 56.287 0.096 0.000 0.936 169 K CB -0.283 32.262 32.500 0.074 0.000 0.722 169 K HN 0.275 8.572 8.250 0.079 0.000 0.446 170 S N -1.452 114.263 115.700 0.025 0.000 2.406 170 S HA -0.195 4.280 4.470 0.007 0.000 0.228 170 S C 1.280 175.849 174.600 -0.051 0.000 1.020 170 S CA 2.575 60.772 58.200 -0.004 0.000 0.965 170 S CB -0.068 63.125 63.200 -0.011 0.000 0.798 170 S HN -0.052 8.077 8.310 0.026 0.197 0.488 171 A N -0.459 122.299 122.820 -0.105 0.000 1.929 171 A HA -0.111 4.047 4.320 -0.271 0.000 0.216 171 A C -0.187 177.117 177.584 -0.467 0.000 1.176 171 A CA 1.965 53.805 52.037 -0.327 0.000 0.628 171 A CB 0.865 19.594 19.000 -0.452 0.000 0.816 171 A HN -0.511 7.491 8.150 -0.056 0.115 0.444 172 Y N -5.514 114.821 120.300 0.057 0.000 2.562 172 Y HA 0.459 5.081 4.550 0.119 0.000 0.363 172 Y C -2.470 173.491 175.900 0.101 0.000 0.991 172 Y CA -3.738 54.430 58.100 0.114 0.000 1.121 172 Y CB -0.323 38.249 38.460 0.187 0.000 1.159 172 Y HN -0.473 7.842 8.280 0.058 0.000 0.651 173 P HA -0.105 4.490 4.420 0.105 -0.113 0.264 173 P C 0.873 178.244 177.300 0.119 0.000 1.193 173 P CA 1.115 64.282 63.100 0.111 0.000 0.763 173 P CB 0.130 31.868 31.700 0.064 0.000 0.810 174 G N 3.652 112.511 108.800 0.099 0.000 2.175 174 G HA2 -0.369 3.629 3.960 0.063 0.000 0.265 174 G HA3 -0.369 3.626 3.960 0.057 0.000 0.265 174 G C 0.097 175.049 174.900 0.087 0.000 0.979 174 G CA 0.793 45.938 45.100 0.075 0.000 0.663 174 G HN 0.509 8.855 8.290 0.093 0.000 0.533 175 Q N -2.622 117.268 119.800 0.149 0.000 2.189 175 Q HA 0.091 4.466 4.340 0.058 0.000 0.223 175 Q C -0.738 175.397 176.000 0.225 0.000 0.828 175 Q CA -0.539 55.355 55.803 0.152 0.000 0.967 175 Q CB 1.440 30.301 28.738 0.205 0.000 1.139 175 Q HN -0.320 8.003 8.270 0.193 0.063 0.497 176 I N 0.410 121.102 120.570 0.204 0.000 2.336 176 I HA 0.087 4.401 4.170 0.239 0.000 0.292 176 I C -0.500 175.694 176.117 0.127 0.000 0.991 176 I CA -2.343 59.070 61.300 0.189 0.000 1.227 176 I CB -0.543 37.560 38.000 0.172 0.000 1.366 176 I HN -0.385 7.931 8.210 0.176 0.000 0.466 177 T N 2.250 116.876 114.554 0.119 0.000 2.910 177 T HA 0.379 4.768 4.350 0.066 0.000 0.279 177 T C 0.718 175.469 174.700 0.084 0.000 0.989 177 T CA -2.166 59.983 62.100 0.082 0.000 0.968 177 T CB 2.243 71.151 68.868 0.067 0.000 1.135 177 T HN -0.403 7.924 8.240 0.146 0.000 0.562 178 S N -2.206 113.529 115.700 0.059 0.000 2.603 178 S HA -0.173 4.337 4.470 0.067 0.000 0.229 178 S C -0.138 174.502 174.600 0.066 0.000 0.972 178 S CA 1.572 59.804 58.200 0.054 0.000 0.935 178 S CB -0.235 62.977 63.200 0.020 0.000 0.769 178 S HN 0.248 8.583 8.310 0.042 0.000 0.536 179 N N 0.151 118.906 118.700 0.091 0.000 2.238 179 N HA 0.140 4.947 4.740 0.111 0.000 0.222 179 N C -1.838 173.792 175.510 0.200 0.000 1.133 179 N CA -0.399 52.738 53.050 0.144 0.000 0.854 179 N CB 0.958 39.558 38.487 0.189 0.000 1.041 179 N HN -0.587 7.755 8.380 0.090 0.092 0.510 180 M N -1.080 118.623 119.600 0.172 0.000 2.593 180 M HA 0.843 5.596 4.480 0.096 -0.216 0.290 180 M C -2.425 173.990 176.300 0.191 0.000 1.244 180 M CA -0.400 54.977 55.300 0.130 0.000 0.857 180 M CB 5.098 37.753 32.600 0.091 0.000 1.738 180 M HN -0.744 7.548 8.290 0.152 0.089 0.461 181 F N -5.938 114.056 119.950 0.074 0.000 2.645 181 F HA 0.615 5.173 4.527 0.050 0.000 0.310 181 F C -2.700 173.151 175.800 0.086 0.000 1.102 181 F CA -1.714 56.327 58.000 0.068 0.000 0.952 181 F CB 2.448 41.486 39.000 0.064 0.000 1.326 181 F HN 0.135 8.289 8.300 -0.243 0.000 0.456 182 c N 0.183 118.944 118.600 0.269 0.000 2.391 182 c HA 1.000 5.810 4.570 0.061 -0.204 0.339 182 c C -1.031 173.253 174.090 0.323 0.000 1.205 182 c CA -0.832 55.606 56.329 0.181 0.000 1.937 182 c CB 2.633 45.218 42.510 0.125 0.000 2.341 182 c HN 0.843 9.266 8.230 0.323 0.000 0.516 183 A N 2.917 125.910 122.820 0.289 0.000 2.476 183 A HA 0.651 5.164 4.320 0.093 -0.138 0.280 183 A C -2.271 175.368 177.584 0.092 0.000 1.081 183 A CA -0.359 51.772 52.037 0.158 0.000 0.753 183 A CB 2.745 21.778 19.000 0.056 0.000 1.248 183 A HN 0.407 8.749 8.150 0.320 0.000 0.424 184 Y N 3.102 123.436 120.300 0.056 0.000 2.404 184 Y HA 0.057 4.628 4.550 0.034 0.000 0.344 184 Y C 0.972 176.888 175.900 0.027 0.000 0.995 184 Y CA -0.110 58.012 58.100 0.037 0.000 1.201 184 Y CB 0.196 38.677 38.460 0.034 0.000 1.151 184 Y HN 0.295 8.712 8.280 0.227 0.000 0.517 185 L N 4.094 125.383 121.223 0.110 0.000 2.275 185 L HA -0.312 4.054 4.340 0.044 0.000 0.215 185 L C 1.118 178.031 176.870 0.072 0.000 1.119 185 L CA 2.245 57.122 54.840 0.061 0.000 0.790 185 L CB -0.359 41.716 42.059 0.026 0.000 0.919 185 L HN 0.516 8.793 8.230 0.078 0.000 0.443 186 E N -2.134 118.130 120.200 0.105 0.000 2.427 186 E HA -0.124 4.255 4.350 0.048 0.000 0.196 186 E C 0.790 177.428 176.600 0.063 0.000 1.028 186 E CA 0.208 56.651 56.400 0.071 0.000 0.864 186 E CB -0.542 29.199 29.700 0.068 0.000 0.813 186 E HN 0.086 8.501 8.360 0.153 0.037 0.514 187 G N 0.842 109.697 108.800 0.091 0.000 3.292 187 G HA2 -0.376 3.669 3.960 0.086 0.000 0.636 187 G HA3 -0.376 3.612 3.960 0.046 0.000 0.636 187 G C -0.888 174.035 174.900 0.039 0.000 1.069 187 G CA -0.137 45.004 45.100 0.068 0.000 0.890 187 G HN -0.489 7.709 8.290 0.138 0.175 0.427 188 K N 1.282 121.680 120.400 -0.005 0.000 7.323 188 K HA -0.601 3.961 4.320 0.001 -0.241 0.689 188 K C -1.404 175.288 176.600 0.154 0.000 2.565 188 K CA 0.413 56.708 56.287 0.014 0.000 1.883 188 K CB -0.015 32.384 32.500 -0.169 0.000 1.982 188 K HN 0.224 8.498 8.250 0.039 0.000 0.295 189 D N 0.489 120.966 120.400 0.130 0.000 2.764 189 D HA 0.258 5.027 4.640 0.214 0.000 0.293 189 D C -1.942 174.432 176.300 0.123 0.000 1.287 189 D CA -0.516 53.578 54.000 0.157 0.000 0.768 189 D CB 3.851 44.727 40.800 0.127 0.000 1.288 189 D HN 0.158 8.579 8.370 0.085 0.000 0.426 190 S N -1.652 114.135 115.700 0.145 0.000 2.707 190 S HA 0.283 4.880 4.470 0.102 -0.066 0.276 190 S C -1.411 173.244 174.600 0.091 0.000 1.179 190 S CA -0.504 57.772 58.200 0.127 0.000 0.992 190 S CB 1.655 64.969 63.200 0.189 0.000 1.030 190 S HN 0.253 8.669 8.310 0.177 0.000 0.554 191 c N -1.587 117.072 118.600 0.099 0.000 3.316 191 c HA 0.277 4.898 4.570 0.086 0.000 0.360 191 c C -1.502 172.682 174.090 0.158 0.000 1.560 191 c CA -0.656 55.734 56.329 0.101 0.000 1.229 191 c CB 3.147 45.699 42.510 0.069 0.000 1.823 191 c HN 0.313 8.902 8.230 0.115 -0.290 0.440 192 Q N 1.827 121.737 119.800 0.183 0.000 2.304 192 Q HA -0.394 4.084 4.340 0.230 0.000 0.301 192 Q C 0.876 177.090 176.000 0.357 0.000 1.063 192 Q CA 2.268 58.224 55.803 0.254 0.000 0.947 192 Q CB 0.581 29.477 28.738 0.263 0.000 1.201 192 Q HN 0.516 8.875 8.270 0.148 0.000 0.389 193 G N 6.320 115.316 108.800 0.326 0.000 2.279 193 G HA2 -0.437 3.697 3.960 0.290 0.000 0.223 193 G HA3 -0.437 3.834 3.960 0.518 0.000 0.223 193 G C 0.667 175.790 174.900 0.373 0.000 1.015 193 G CA 1.048 46.379 45.100 0.384 0.000 0.621 193 G HN 0.660 9.115 8.290 0.276 0.000 0.506 194 D N 2.435 123.002 120.400 0.279 0.000 2.333 194 D HA 0.070 4.855 4.640 0.242 0.000 0.208 194 D C 0.147 176.552 176.300 0.175 0.000 0.984 194 D CA 1.039 55.169 54.000 0.217 0.000 0.873 194 D CB 0.485 41.383 40.800 0.164 0.000 0.935 194 D HN 0.147 8.568 8.370 0.263 0.106 0.521 195 S N -0.654 115.150 115.700 0.174 0.000 2.599 195 S HA -0.587 4.126 4.470 0.167 -0.142 0.303 195 S C 1.042 175.651 174.600 0.015 0.000 1.267 195 S CA 2.334 60.613 58.200 0.132 0.000 1.055 195 S CB -0.029 63.272 63.200 0.169 0.000 0.790 195 S HN -0.511 7.890 8.310 0.208 0.034 0.500 196 G N 4.438 113.233 108.800 -0.008 0.000 2.253 196 G HA2 -0.455 3.557 3.960 -0.044 0.000 0.251 196 G HA3 -0.455 3.581 3.960 -0.078 -0.123 0.251 196 G C -0.123 174.807 174.900 0.050 0.000 0.998 196 G CA 0.176 45.259 45.100 -0.028 0.000 0.621 196 G HN 0.831 9.142 8.290 0.036 0.000 0.524 197 G N 1.049 109.905 108.800 0.094 0.000 2.616 197 G HA2 0.329 4.433 3.960 0.121 0.000 0.268 197 G HA3 0.329 4.363 3.960 0.123 0.000 0.268 197 G C -2.600 172.382 174.900 0.137 0.000 1.213 197 G CA -1.929 43.244 45.100 0.121 0.000 0.926 197 G HN -0.237 7.942 8.290 0.102 0.172 0.523 198 P HA 0.303 4.920 4.420 0.121 -0.124 0.281 198 P C -1.566 175.796 177.300 0.103 0.000 1.249 198 P CA -0.794 62.392 63.100 0.144 0.000 0.810 198 P CB 1.526 33.364 31.700 0.231 0.000 1.008 199 V N 2.246 122.197 119.914 0.063 0.000 2.419 199 V HA 0.272 4.540 4.120 -0.023 -0.162 0.287 199 V C -1.338 174.760 176.094 0.007 0.000 1.017 199 V CA -0.444 61.854 62.300 -0.002 0.000 0.844 199 V CB 1.780 33.573 31.823 -0.050 0.000 1.011 199 V HN -0.262 7.969 8.190 0.070 0.000 0.429 200 V N 7.999 127.911 119.914 -0.004 0.000 2.417 200 V HA 0.654 4.923 4.120 -0.073 -0.193 0.291 200 V C -1.272 174.802 176.094 -0.033 0.000 1.024 200 V CA -1.294 60.977 62.300 -0.049 0.000 0.861 200 V CB 2.834 34.605 31.823 -0.087 0.000 0.985 200 V HN 0.553 8.755 8.190 0.021 0.000 0.436 201 c N 7.450 126.018 118.600 -0.053 0.000 2.441 201 c HA 0.590 5.139 4.570 -0.035 0.000 0.318 201 c C 0.286 174.346 174.090 -0.049 0.000 1.222 201 c CA -1.341 54.957 56.329 -0.052 0.000 1.474 201 c CB 2.322 44.782 42.510 -0.084 0.000 2.125 201 c HN 0.636 8.827 8.230 -0.066 0.000 0.479 202 S N 4.060 119.740 115.700 -0.033 0.000 3.549 202 S HA -0.446 4.015 4.470 -0.016 0.000 0.366 202 S C 0.409 174.991 174.600 -0.029 0.000 1.012 202 S CA 1.078 59.262 58.200 -0.027 0.000 1.141 202 S CB -1.936 61.244 63.200 -0.034 0.000 0.910 202 S HN 1.183 9.478 8.310 -0.024 0.000 0.471 203 G N -5.003 103.778 108.800 -0.030 0.000 2.153 203 G HA2 -0.514 3.420 3.960 -0.044 0.000 0.252 203 G HA3 -0.514 3.431 3.960 -0.027 0.000 0.252 203 G C -1.217 173.637 174.900 -0.077 0.000 0.994 203 G CA 0.397 45.471 45.100 -0.044 0.000 0.698 203 G HN 0.351 8.611 8.290 -0.022 0.017 0.521 210 Q N 1.136 120.950 119.800 0.024 0.000 2.392 210 Q HA 0.191 4.562 4.340 0.052 0.000 0.219 210 Q C -0.214 175.944 176.000 0.262 0.000 0.895 210 Q CA 0.185 56.023 55.803 0.060 0.000 0.929 210 Q CB 2.585 31.277 28.738 -0.076 0.000 1.077 210 Q HN 0.295 8.567 8.270 0.004 0.000 0.532 211 G N -3.255 105.722 108.800 0.295 0.000 2.694 211 G HA2 0.613 5.073 3.960 0.430 0.000 0.290 211 G HA3 0.613 4.855 3.960 0.470 0.000 0.290 211 G C -3.257 171.767 174.900 0.206 0.000 1.386 211 G CA -0.700 44.624 45.100 0.374 0.000 0.872 211 G HN -0.443 7.952 8.290 0.176 0.000 0.475 212 I N -1.363 119.324 120.570 0.195 0.000 2.498 212 I HA 0.556 5.033 4.170 0.158 -0.213 0.290 212 I C -0.421 175.833 176.117 0.228 0.000 1.032 212 I CA -1.426 59.973 61.300 0.165 0.000 1.073 212 I CB 4.289 42.346 38.000 0.096 0.000 1.251 212 I HN -0.403 7.992 8.210 0.180 -0.077 0.426 213 V N 7.079 127.142 119.914 0.249 0.000 2.493 213 V HA -0.218 4.010 4.120 0.179 0.000 0.292 213 V C -1.186 174.946 176.094 0.062 0.000 1.016 213 V CA 2.056 64.466 62.300 0.184 0.000 1.097 213 V CB -1.042 30.901 31.823 0.199 0.000 0.947 213 V HN 0.434 8.749 8.190 0.208 0.000 0.479 214 S N 7.313 122.952 115.700 -0.102 0.000 3.142 214 S HA 0.412 5.088 4.470 0.344 0.000 0.223 214 S C -1.334 173.361 174.600 0.158 0.000 0.939 214 S CA 1.156 59.432 58.200 0.127 0.000 0.826 214 S CB 2.122 65.382 63.200 0.101 0.000 0.823 214 S HN -0.082 7.954 8.310 -0.455 0.000 0.612 215 W N -4.360 116.780 121.300 -0.267 0.000 2.940 215 W HA 0.266 4.812 4.660 -0.189 0.000 0.394 215 W C -2.703 173.641 176.519 -0.292 0.000 1.155 215 W CA -0.661 56.533 57.345 -0.252 0.000 1.165 215 W CB 1.326 30.630 29.460 -0.260 0.000 1.492 215 W HN -0.257 7.609 8.180 -0.525 0.000 0.593 216 G N -3.329 105.509 108.800 0.064 0.000 2.368 216 G HA2 0.045 3.693 3.960 -0.520 0.000 0.293 216 G HA3 0.045 3.927 3.960 -0.130 0.000 0.293 216 G C -2.373 172.644 174.900 0.195 0.000 1.467 216 G CA 0.303 45.336 45.100 -0.112 0.000 0.804 216 G HN -0.064 8.447 8.290 0.369 0.000 0.535 220 c N 1.981 120.621 118.600 0.066 0.000 3.465 220 c HA 0.308 5.053 4.570 0.065 -0.136 0.193 220 c C -1.519 172.604 174.090 0.054 0.000 1.515 220 c CA -0.757 55.607 56.329 0.060 0.000 1.340 220 c CB -1.212 41.327 42.510 0.049 0.000 1.928 220 c HN 0.351 8.616 8.230 0.058 0.000 0.510 221 Q N -1.974 117.861 119.800 0.057 0.000 2.896 221 Q HA 0.123 4.484 4.340 0.036 0.000 0.241 221 Q C -1.552 174.472 176.000 0.039 0.000 0.999 221 Q CA -0.659 55.170 55.803 0.044 0.000 0.912 221 Q CB 2.237 31.003 28.738 0.046 0.000 2.012 221 Q HN -0.015 8.295 8.270 0.067 0.000 0.489 222 K N 4.239 124.655 120.400 0.027 0.000 2.436 222 K HA -0.251 4.221 4.320 0.034 -0.131 0.275 222 K C 0.240 176.840 176.600 -0.000 0.000 0.999 222 K CA 0.717 57.017 56.287 0.021 0.000 0.980 222 K CB 0.033 32.542 32.500 0.015 0.000 0.919 222 K HN 0.263 8.527 8.250 0.024 0.000 0.484 223 N N 1.430 120.125 118.700 -0.009 0.000 2.732 223 N HA -0.489 4.222 4.740 -0.048 0.000 0.250 223 N C -1.521 173.918 175.510 -0.117 0.000 1.097 223 N CA 1.793 54.810 53.050 -0.055 0.000 0.812 223 N CB -0.418 38.033 38.487 -0.061 0.000 1.148 223 N HN 0.797 9.057 8.380 0.010 0.125 0.572 224 K N -1.818 118.542 120.400 -0.066 0.000 2.679 224 K HA 0.547 4.669 4.320 -0.331 0.000 0.188 224 K C -2.321 174.318 176.600 0.066 0.000 1.055 224 K CA -3.560 52.681 56.287 -0.076 0.000 1.006 224 K CB -0.164 32.355 32.500 0.032 0.000 1.317 224 K HN -0.668 7.513 8.250 -0.010 0.064 0.584 225 P HA -0.030 4.449 4.420 0.098 0.000 0.275 225 P C -0.559 176.789 177.300 0.081 0.000 1.266 225 P CA -0.511 62.651 63.100 0.102 0.000 0.793 225 P CB 1.194 32.941 31.700 0.078 0.000 1.074 226 G N -2.465 106.347 108.800 0.020 0.000 2.476 226 G HA2 0.332 4.088 3.960 -0.340 0.000 0.269 226 G HA3 0.332 4.156 3.960 -0.226 0.000 0.269 226 G C -1.815 172.757 174.900 -0.547 0.000 1.195 226 G CA -0.770 44.166 45.100 -0.273 0.000 0.843 226 G HN -0.375 7.986 8.290 0.119 0.000 0.545 227 V N 1.894 121.157 119.914 -1.085 0.000 2.495 227 V HA 0.620 4.485 4.120 -0.705 -0.168 0.298 227 V C -0.994 174.332 176.094 -1.280 0.000 1.031 227 V CA -0.986 60.630 62.300 -1.141 0.000 0.871 227 V CB 2.283 32.980 31.823 -1.877 0.000 0.988 227 V HN 0.423 7.930 8.190 -1.139 0.000 0.432 228 Y N 5.086 124.973 120.300 -0.688 0.000 2.499 228 Y HA 0.593 5.061 4.550 -0.376 -0.144 0.347 228 Y C 0.284 175.898 175.900 -0.477 0.000 0.987 228 Y CA -2.244 55.464 58.100 -0.652 0.000 1.044 228 Y CB 3.797 41.587 38.460 -1.118 0.000 1.245 228 Y HN 0.971 8.854 8.280 -0.662 0.000 0.461 229 T N 4.749 119.274 114.554 -0.049 0.000 2.870 229 T HA 0.009 4.576 4.350 0.109 -0.152 0.300 229 T C -0.652 174.186 174.700 0.230 0.000 0.989 229 T CA 1.532 63.687 62.100 0.091 0.000 1.139 229 T CB 0.537 69.444 68.868 0.064 0.000 0.920 229 T HN 0.339 8.582 8.240 0.006 0.000 0.537 230 K N 8.137 128.760 120.400 0.371 0.000 2.127 230 K HA 0.077 4.831 4.320 0.722 0.000 0.261 230 K C 0.941 177.797 176.600 0.427 0.000 1.129 230 K CA -0.452 56.130 56.287 0.492 0.000 0.993 230 K CB -0.412 32.318 32.500 0.383 0.000 1.410 230 K HN 0.092 8.442 8.250 0.336 0.102 0.380 231 V N 5.971 126.116 119.914 0.386 0.000 2.469 231 V HA -0.523 3.894 4.120 0.495 0.000 0.251 231 V C 1.399 177.655 176.094 0.270 0.000 1.064 231 V CA 3.874 66.386 62.300 0.354 0.000 1.066 231 V CB -0.285 31.676 31.823 0.229 0.000 0.667 231 V HN 0.236 8.666 8.190 0.400 0.000 0.461 232 c N -3.237 115.458 118.600 0.157 0.000 2.410 232 c HA -0.226 4.388 4.570 0.073 0.000 0.281 232 c C 1.682 175.791 174.090 0.032 0.000 1.318 232 c CA 1.740 58.113 56.329 0.073 0.000 1.776 232 c CB -2.072 40.450 42.510 0.021 0.000 1.942 232 c HN 0.497 8.799 8.230 0.153 0.020 0.508 233 N N 0.818 119.502 118.700 -0.026 0.000 2.515 233 N HA -0.092 4.548 4.740 -0.168 0.000 0.185 233 N C 0.270 175.537 175.510 -0.404 0.000 1.109 233 N CA 1.140 54.029 53.050 -0.268 0.000 0.903 233 N CB -0.228 37.959 38.487 -0.500 0.000 0.969 233 N HN -0.365 8.011 8.380 0.054 0.037 0.450 234 Y N -4.605 115.767 120.300 0.120 0.000 2.557 234 Y HA 0.180 4.871 4.550 0.235 0.000 0.247 234 Y C -0.109 175.930 175.900 0.232 0.000 1.164 234 Y CA -0.719 57.510 58.100 0.215 0.000 1.218 234 Y CB -0.096 38.512 38.460 0.246 0.000 1.210 234 Y HN -0.155 8.059 8.280 0.200 0.186 0.529 235 V N 1.183 121.236 119.914 0.232 0.000 2.343 235 V HA -0.553 3.664 4.120 0.162 0.000 0.247 235 V C 1.300 177.467 176.094 0.122 0.000 1.051 235 V CA 4.922 67.314 62.300 0.153 0.000 1.036 235 V CB -0.535 31.339 31.823 0.085 0.000 0.654 235 V HN -0.855 7.431 8.190 0.160 0.000 0.451 236 S N 0.076 115.849 115.700 0.122 0.000 2.368 236 S HA -0.342 4.152 4.470 0.040 0.000 0.225 236 S C 1.843 176.517 174.600 0.124 0.000 1.030 236 S CA 3.073 61.327 58.200 0.090 0.000 0.999 236 S CB -0.465 62.785 63.200 0.084 0.000 0.844 236 S HN 0.149 8.531 8.310 0.119 0.000 0.459 237 W N 4.152 125.488 121.300 0.059 0.000 2.355 237 W HA -0.146 4.534 4.660 0.034 0.000 0.309 237 W C 1.792 178.321 176.519 0.016 0.000 1.206 237 W CA 2.924 60.311 57.345 0.070 0.000 1.284 237 W CB -0.054 29.528 29.460 0.204 0.000 1.145 237 W HN -0.390 8.023 8.180 0.388 0.000 0.502 238 I N -0.734 119.837 120.570 0.002 0.000 2.142 238 I HA -0.766 3.024 4.170 -0.634 0.000 0.240 238 I C 1.777 177.671 176.117 -0.372 0.000 1.078 238 I CA 4.534 65.661 61.300 -0.287 0.000 1.343 238 I CB -0.268 37.720 38.000 -0.020 0.000 1.046 238 I HN 0.291 8.691 8.210 0.317 0.000 0.405 239 K N -0.960 119.317 120.400 -0.204 0.000 2.032 239 K HA -0.440 3.735 4.320 -0.242 0.000 0.209 239 K C 2.760 179.212 176.600 -0.246 0.000 1.048 239 K CA 3.798 59.962 56.287 -0.206 0.000 0.927 239 K CB -0.358 32.079 32.500 -0.105 0.000 0.712 239 K HN -0.113 8.082 8.250 -0.092 0.000 0.441 240 Q N -1.794 117.875 119.800 -0.220 0.000 2.050 240 Q HA -0.328 3.921 4.340 -0.151 0.000 0.202 240 Q C 2.636 178.448 176.000 -0.312 0.000 0.980 240 Q CA 3.547 59.229 55.803 -0.203 0.000 0.840 240 Q CB 0.006 28.669 28.738 -0.124 0.000 0.898 240 Q HN 0.197 8.364 8.270 -0.172 0.000 0.424 241 T N 2.773 117.017 114.554 -0.518 0.000 2.708 241 T HA -0.273 3.836 4.350 -0.401 0.000 0.266 241 T C 2.452 176.818 174.700 -0.557 0.000 1.037 241 T CA 4.898 66.647 62.100 -0.584 0.000 1.146 241 T CB -0.192 68.060 68.868 -1.027 0.000 0.865 241 T HN 0.033 7.892 8.240 -0.635 0.000 0.435 242 I N 0.933 121.063 120.570 -0.734 0.000 2.226 242 I HA -0.456 2.892 4.170 -1.370 0.000 0.245 242 I C 1.765 177.648 176.117 -0.390 0.000 1.100 242 I CA 3.700 64.445 61.300 -0.926 0.000 1.374 242 I CB -0.402 36.972 38.000 -1.043 0.000 1.057 242 I HN 0.035 7.817 8.210 -0.715 0.000 0.413 243 A N -0.292 122.356 122.820 -0.287 0.000 1.933 243 A HA -0.224 4.033 4.320 -0.104 0.000 0.218 243 A C 1.382 178.914 177.584 -0.087 0.000 1.175 243 A CA 2.814 54.766 52.037 -0.142 0.000 0.628 243 A CB -0.437 18.488 19.000 -0.124 0.000 0.814 243 A HN -0.102 7.841 8.150 -0.335 0.007 0.444 244 S N -4.435 111.203 115.700 -0.103 0.000 2.605 244 S HA 0.103 4.558 4.470 -0.024 0.000 0.217 244 S C -0.455 174.150 174.600 0.008 0.000 0.958 244 S CA 0.735 58.909 58.200 -0.043 0.000 0.919 244 S CB 0.670 63.837 63.200 -0.054 0.000 0.780 244 S HN -0.344 7.774 8.310 -0.167 0.091 0.507 245 N N 0.000 118.734 118.700 0.056 0.000 1.763 245 N HA 0.000 4.815 4.740 0.125 0.000 0.220 245 N CA 0.000 53.163 53.050 0.188 0.000 0.885 245 N CB 0.000 38.672 38.487 0.308 0.000 1.341 245 N HN 0.000 8.218 8.380 0.015 0.172 0.667