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 1gi2_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 4.181 4.170 0.019 0.000 0.288 16 I C 0.000 176.106 176.117 -0.019 0.000 1.063 16 I CA 0.000 61.292 61.300 -0.013 0.000 1.566 16 I CB 0.000 37.964 38.000 -0.060 0.000 1.214 17 V N 4.846 124.763 119.914 0.006 0.000 2.459 17 V HA 0.260 4.505 4.120 -0.016 -0.134 0.295 17 V C 0.503 176.606 176.094 0.015 0.000 1.029 17 V CA -1.726 60.575 62.300 0.002 0.000 0.874 17 V CB 1.452 33.281 31.823 0.011 0.000 0.985 17 V HN 0.893 9.100 8.190 0.029 0.000 0.438 18 G N 7.071 115.873 108.800 0.004 0.000 2.221 18 G HA2 -0.402 3.559 3.960 0.001 0.000 0.265 18 G HA3 -0.402 3.704 3.960 -0.007 -0.151 0.265 18 G C -0.753 174.167 174.900 0.032 0.000 1.041 18 G CA 0.564 45.667 45.100 0.005 0.000 0.807 18 G HN 0.779 9.066 8.290 -0.004 0.000 0.502 19 G N -1.468 107.350 108.800 0.031 0.000 2.702 19 G HA2 0.543 4.571 3.960 0.133 0.000 0.254 19 G HA3 0.543 4.553 3.960 -0.048 -0.079 0.254 19 G C -1.758 173.209 174.900 0.111 0.000 1.380 19 G CA -1.079 44.052 45.100 0.051 0.000 1.042 19 G HN -0.621 7.650 8.290 0.006 0.022 0.557 20 Y N -6.099 114.185 120.300 -0.028 0.000 2.634 20 Y HA 0.401 4.936 4.550 -0.026 0.000 0.340 20 Y C -1.768 174.108 175.900 -0.040 0.000 1.058 20 Y CA -2.942 55.141 58.100 -0.029 0.000 1.081 20 Y CB 1.085 39.531 38.460 -0.024 0.000 1.295 20 Y HN 0.288 8.317 8.280 -0.418 0.000 0.487 21 T N 2.825 117.415 114.554 0.059 0.000 2.779 21 T HA 0.095 4.485 4.350 -0.125 -0.115 0.296 21 T C -0.015 174.670 174.700 -0.025 0.000 0.938 21 T CA 1.230 63.309 62.100 -0.036 0.000 1.119 21 T CB -0.127 68.755 68.868 0.024 0.000 0.891 21 T HN 0.109 8.447 8.240 0.163 0.000 0.526 22 c N 6.680 125.170 118.600 -0.184 0.000 2.413 22 c HA -0.198 4.303 4.570 -0.115 0.000 0.277 22 c C 0.373 174.466 174.090 0.006 0.000 1.228 22 c CA 1.296 57.549 56.329 -0.127 0.000 1.731 22 c CB -0.320 42.061 42.510 -0.216 0.000 2.042 22 c HN 0.380 8.458 8.230 -0.253 0.000 0.468 23 G N -2.875 105.915 108.800 -0.016 0.000 2.697 23 G HA2 -0.239 3.731 3.960 0.017 0.000 0.684 23 G HA3 -0.239 3.736 3.960 0.025 0.000 0.684 23 G C -2.044 172.851 174.900 -0.008 0.000 1.274 23 G CA -0.719 44.387 45.100 0.010 0.000 0.806 23 G HN -0.514 7.746 8.290 -0.051 0.000 0.644 24 A N 3.717 126.542 122.820 0.008 0.000 2.548 24 A HA -0.200 4.279 4.320 0.020 -0.147 0.247 24 A C -0.455 177.131 177.584 0.002 0.000 1.067 24 A CA 1.112 53.157 52.037 0.014 0.000 0.757 24 A CB 0.062 19.078 19.000 0.025 0.000 0.996 24 A HN 0.317 8.476 8.150 0.016 0.000 0.504 25 N N -3.570 115.127 118.700 -0.005 0.000 2.725 25 N HA -0.403 4.319 4.740 -0.030 0.000 0.249 25 N C 0.387 175.873 175.510 -0.040 0.000 1.103 25 N CA 1.437 54.474 53.050 -0.021 0.000 0.707 25 N CB -0.798 37.688 38.487 -0.001 0.000 1.043 25 N HN 0.417 8.800 8.380 0.005 0.000 0.553 26 T N -3.998 110.523 114.554 -0.054 0.000 3.129 26 T HA -0.031 4.307 4.350 -0.020 0.000 0.251 26 T C -0.550 174.092 174.700 -0.097 0.000 1.117 26 T CA 1.173 63.247 62.100 -0.043 0.000 1.034 26 T CB 0.587 69.447 68.868 -0.015 0.000 0.968 26 T HN -0.517 7.658 8.240 -0.059 0.030 0.526 27 V N 1.964 121.758 119.914 -0.201 0.000 2.320 27 V HA 0.342 4.203 4.120 -0.431 0.000 0.257 27 V C -1.192 174.574 176.094 -0.546 0.000 0.996 27 V CA -3.591 58.439 62.300 -0.449 0.000 0.928 27 V CB 1.100 32.644 31.823 -0.466 0.000 1.169 27 V HN -0.470 7.552 8.190 -0.173 0.064 0.475 28 P HA 0.072 4.518 4.420 -0.114 -0.093 0.230 28 P C 0.032 177.266 177.300 -0.110 0.000 1.158 28 P CA 1.547 64.554 63.100 -0.155 0.000 0.769 28 P CB 0.143 31.833 31.700 -0.017 0.000 0.807 29 Y N -5.931 114.394 120.300 0.041 0.000 2.466 29 Y HA 0.470 5.176 4.550 0.057 -0.121 0.272 29 Y C -0.599 175.340 175.900 0.064 0.000 1.169 29 Y CA -3.267 54.864 58.100 0.051 0.000 1.285 29 Y CB -1.348 37.138 38.460 0.044 0.000 1.078 29 Y HN -0.419 7.180 8.280 -1.038 0.058 0.523 30 Q N 2.811 122.472 119.800 -0.231 0.000 2.313 30 Q HA 0.166 4.685 4.340 0.090 -0.126 0.266 30 Q C -0.355 175.731 176.000 0.144 0.000 0.989 30 Q CA 0.162 55.946 55.803 -0.032 0.000 0.890 30 Q CB 1.095 29.709 28.738 -0.207 0.000 1.200 30 Q HN -0.623 7.279 8.270 -0.508 0.063 0.396 31 V N 1.394 121.435 119.914 0.211 0.000 3.046 31 V HA 0.845 5.212 4.120 0.212 -0.120 0.316 31 V C -1.992 174.269 176.094 0.278 0.000 1.104 31 V CA -2.963 59.462 62.300 0.209 0.000 1.006 31 V CB 3.910 35.806 31.823 0.120 0.000 1.058 31 V HN 0.278 8.589 8.190 0.201 0.000 0.440 32 S N 0.268 116.039 115.700 0.118 0.000 2.473 32 S HA 0.455 5.173 4.470 0.239 -0.105 0.307 32 S C -1.127 173.394 174.600 -0.131 0.000 1.094 32 S CA -1.927 56.288 58.200 0.024 0.000 1.070 32 S CB 1.910 64.911 63.200 -0.331 0.000 1.019 32 S HN 0.121 8.465 8.310 0.058 0.000 0.480 33 L N 6.647 127.666 121.223 -0.340 0.000 2.282 33 L HA 0.542 4.835 4.340 -0.285 -0.124 0.288 33 L C -1.625 174.878 176.870 -0.612 0.000 1.033 33 L CA -0.881 53.647 54.840 -0.520 0.000 0.807 33 L CB 1.089 42.639 42.059 -0.849 0.000 1.209 33 L HN 0.806 8.790 8.230 -0.409 0.000 0.423 38 G N 0.351 108.932 108.800 -0.365 0.000 2.218 38 G HA2 -0.291 3.609 3.960 -0.101 0.000 0.216 38 G HA3 -0.291 3.654 3.960 -0.026 0.000 0.216 38 G C -1.737 173.159 174.900 -0.007 0.000 0.994 38 G CA 0.305 45.320 45.100 -0.141 0.000 0.637 38 G HN 0.183 8.593 8.290 -0.310 -0.306 0.505 39 Y N -6.550 113.727 120.300 -0.039 0.000 2.702 39 Y HA 0.238 4.751 4.550 -0.060 0.000 0.336 39 Y C -2.367 173.549 175.900 0.026 0.000 1.203 39 Y CA -3.321 54.763 58.100 -0.028 0.000 1.072 39 Y CB 0.742 39.184 38.460 -0.030 0.000 1.327 39 Y HN -1.175 6.635 8.280 -0.776 0.004 0.456 40 H N 2.405 121.487 119.070 0.020 0.000 2.848 40 H HA 0.034 4.641 4.556 -0.224 -0.185 0.317 40 H C -0.259 175.156 175.328 0.144 0.000 1.046 40 H CA -0.162 55.835 56.048 -0.085 0.000 1.470 40 H CB 0.335 29.990 29.762 -0.178 0.000 1.483 40 H HN 0.299 8.705 8.280 0.210 0.000 0.548 41 F N 2.409 121.978 119.950 -0.634 0.000 2.880 41 F HA 0.327 4.776 4.527 -0.130 0.000 0.346 41 F C -1.548 174.015 175.800 -0.395 0.000 1.054 41 F CA -0.729 57.077 58.000 -0.323 0.000 1.151 41 F CB 1.576 40.514 39.000 -0.102 0.000 1.066 41 F HN 0.100 7.761 8.300 -1.065 0.000 0.566 42 c N -1.503 116.411 118.600 -1.144 0.000 3.292 42 c HA 0.334 4.828 4.570 -0.211 -0.050 0.338 42 c C -1.708 172.197 174.090 -0.309 0.000 1.323 42 c CA -0.132 55.870 56.329 -0.544 0.000 1.232 42 c CB 3.919 46.146 42.510 -0.473 0.000 1.517 42 c HN -0.817 6.441 8.230 -1.619 0.000 0.470 43 G N -0.876 107.930 108.800 0.010 0.000 2.613 43 G HA2 0.792 5.067 3.960 0.285 0.000 0.303 43 G HA3 0.792 4.891 3.960 0.232 0.000 0.303 43 G C -2.475 172.458 174.900 0.054 0.000 1.312 43 G CA -1.550 43.651 45.100 0.169 0.000 1.036 43 G HN 0.794 9.091 8.290 0.012 0.000 0.513 44 G N -4.026 104.840 108.800 0.110 0.000 2.506 44 G HA2 0.521 4.807 3.960 0.081 0.000 0.292 44 G HA3 0.521 4.520 3.960 0.064 0.000 0.292 44 G C -2.928 172.061 174.900 0.149 0.000 1.425 44 G CA 0.298 45.455 45.100 0.093 0.000 0.788 44 G HN -0.623 7.768 8.290 0.169 0.000 0.490 45 S N -0.483 115.310 115.700 0.154 0.000 2.532 45 S HA 0.822 5.659 4.470 0.276 -0.200 0.299 45 S C -1.352 173.355 174.600 0.178 0.000 1.105 45 S CA -0.874 57.451 58.200 0.208 0.000 1.018 45 S CB 3.795 67.102 63.200 0.179 0.000 1.021 45 S HN 0.379 8.766 8.310 0.129 0.000 0.483 46 L N 6.199 127.544 121.223 0.203 0.000 2.313 46 L HA 0.156 4.696 4.340 0.150 -0.111 0.282 46 L C -0.618 176.340 176.870 0.146 0.000 1.092 46 L CA -0.091 54.848 54.840 0.164 0.000 0.831 46 L CB 1.048 43.202 42.059 0.159 0.000 1.159 46 L HN 0.511 8.791 8.230 0.264 0.109 0.442 47 I N 0.668 121.320 120.570 0.137 0.000 4.070 47 I HA 0.509 4.875 4.170 0.068 -0.155 0.328 47 I C -0.942 175.234 176.117 0.097 0.000 1.298 47 I CA -0.579 60.778 61.300 0.096 0.000 1.173 47 I CB 0.746 38.792 38.000 0.078 0.000 1.051 47 I HN 0.227 8.536 8.210 0.164 0.000 0.409 48 N N -1.867 116.915 118.700 0.136 0.000 3.261 48 N HA 0.109 4.905 4.740 0.094 0.000 0.248 48 N C -0.377 175.212 175.510 0.132 0.000 1.498 48 N CA -0.466 52.661 53.050 0.127 0.000 0.884 48 N CB 0.512 39.084 38.487 0.141 0.000 1.428 48 N HN -0.925 7.551 8.380 0.160 0.000 0.517 49 S N -3.321 112.443 115.700 0.107 0.000 2.500 49 S HA -0.335 4.176 4.470 0.068 0.000 0.239 49 S C 0.802 175.434 174.600 0.054 0.000 0.989 49 S CA 2.753 60.997 58.200 0.075 0.000 0.951 49 S CB -0.094 63.139 63.200 0.055 0.000 0.759 49 S HN 0.376 8.746 8.310 0.100 0.000 0.523 50 Q N -1.213 118.633 119.800 0.076 0.000 2.140 50 Q HA 0.350 4.630 4.340 -0.100 0.000 0.227 50 Q C -2.028 173.821 176.000 -0.251 0.000 0.798 50 Q CA -0.420 55.328 55.803 -0.091 0.000 0.987 50 Q CB 2.854 31.501 28.738 -0.151 0.000 1.161 50 Q HN 0.069 8.753 8.270 0.172 -0.311 0.480 51 W N -1.465 119.839 121.300 0.007 0.000 2.785 51 W HA 0.654 5.514 4.660 0.002 -0.199 0.333 51 W C -1.531 174.998 176.519 0.018 0.000 1.062 51 W CA -1.043 56.304 57.345 0.002 0.000 1.233 51 W CB 3.579 33.027 29.460 -0.019 0.000 1.413 51 W HN -0.392 8.050 8.180 0.249 -0.112 0.489 52 V N 1.944 122.009 119.914 0.253 0.000 2.680 52 V HA 0.701 5.093 4.120 0.169 -0.170 0.309 52 V C -1.385 174.822 176.094 0.189 0.000 1.052 52 V CA -1.610 60.795 62.300 0.175 0.000 0.908 52 V CB 3.299 35.183 31.823 0.102 0.000 1.001 52 V HN 0.990 9.331 8.190 0.251 0.000 0.431 53 V N 6.017 126.022 119.914 0.152 0.000 2.581 53 V HA 0.822 5.220 4.120 0.162 -0.180 0.303 53 V C -1.145 175.012 176.094 0.105 0.000 1.041 53 V CA -1.501 60.883 62.300 0.140 0.000 0.907 53 V CB 2.130 34.029 31.823 0.127 0.000 0.994 53 V HN 0.436 8.711 8.190 0.142 0.000 0.442 54 S N 3.350 119.102 115.700 0.086 0.000 2.880 54 S HA 0.537 5.236 4.470 0.044 -0.203 0.308 54 S C -1.970 172.633 174.600 0.004 0.000 1.195 54 S CA -2.460 55.762 58.200 0.037 0.000 0.866 54 S CB 2.468 65.675 63.200 0.012 0.000 1.254 54 S HN 0.540 8.912 8.310 0.104 0.000 0.571 55 A N -0.424 122.362 122.820 -0.057 0.000 2.310 55 A HA 0.432 4.871 4.320 -0.074 -0.164 0.299 55 A C 0.500 177.979 177.584 -0.174 0.000 1.147 55 A CA -1.480 50.491 52.037 -0.110 0.000 0.818 55 A CB 1.339 20.240 19.000 -0.166 0.000 1.096 55 A HN 0.324 8.428 8.150 -0.076 0.000 0.495 56 A N 5.611 128.261 122.820 -0.284 0.000 1.972 56 A HA -0.228 3.951 4.320 -0.235 0.000 0.219 56 A C 1.322 178.683 177.584 -0.371 0.000 1.169 56 A CA 2.681 54.429 52.037 -0.483 0.000 0.635 56 A CB -0.222 18.059 19.000 -1.198 0.000 0.810 56 A HN 0.601 8.613 8.150 -0.282 -0.031 0.446 57 H N -4.364 114.544 119.070 -0.271 0.000 2.563 57 H HA -0.075 4.541 4.556 0.100 0.000 0.272 57 H C 0.129 175.517 175.328 0.099 0.000 1.005 57 H CA 1.485 57.548 56.048 0.026 0.000 1.171 57 H CB -1.356 28.484 29.762 0.129 0.000 1.351 57 H HN 0.027 8.512 8.280 -0.147 -0.293 0.602 58 c N -1.639 116.862 118.600 -0.165 0.000 2.697 58 c HA 0.022 4.629 4.570 0.062 0.000 0.267 58 c C 0.323 174.511 174.090 0.164 0.000 1.278 58 c CA 0.126 56.456 56.329 0.002 0.000 1.708 58 c CB -1.594 40.876 42.510 -0.066 0.000 1.860 58 c HN -0.225 7.684 8.230 -0.213 0.193 0.589 59 Y N 3.683 123.992 120.300 0.015 0.000 2.597 59 Y HA -0.225 4.359 4.550 0.055 0.000 0.336 59 Y C -0.872 175.025 175.900 -0.004 0.000 1.216 59 Y CA 2.072 60.188 58.100 0.027 0.000 1.463 59 Y CB 0.742 39.204 38.460 0.004 0.000 1.303 59 Y HN -0.293 7.902 8.280 0.168 0.187 0.576 60 K N 5.323 125.031 120.400 -1.154 0.000 2.711 60 K HA 0.164 3.855 4.320 -1.049 0.000 0.294 60 K C -2.412 173.676 176.600 -0.854 0.000 1.037 60 K CA -1.108 54.589 56.287 -0.983 0.000 0.858 60 K CB 1.923 34.052 32.500 -0.617 0.000 1.521 60 K HN 0.085 7.684 8.250 -1.084 0.000 0.386 61 S N -0.682 114.707 115.700 -0.518 0.000 2.654 61 S HA 0.075 4.409 4.470 -0.227 0.000 0.283 61 S C 0.736 175.212 174.600 -0.206 0.000 1.180 61 S CA 0.243 58.283 58.200 -0.265 0.000 1.021 61 S CB 0.571 63.687 63.200 -0.140 0.000 1.018 61 S HN 0.212 8.257 8.310 -0.441 0.000 0.532 62 G N 2.129 110.849 108.800 -0.132 0.000 2.289 62 G HA2 -0.252 3.656 3.960 -0.086 0.000 0.280 62 G HA3 -0.252 3.632 3.960 -0.125 0.000 0.280 62 G C -1.759 173.072 174.900 -0.114 0.000 1.089 62 G CA 0.135 45.166 45.100 -0.115 0.000 0.939 62 G HN 0.386 8.616 8.290 -0.100 0.000 0.499 63 I N -0.954 119.569 120.570 -0.079 0.000 2.353 63 I HA 0.093 4.394 4.170 0.003 -0.130 0.293 63 I C -1.632 174.458 176.117 -0.045 0.000 0.992 63 I CA -0.742 60.543 61.300 -0.024 0.000 1.268 63 I CB 0.758 38.776 38.000 0.029 0.000 1.387 63 I HN -0.459 7.706 8.210 -0.076 0.000 0.478 64 Q N 7.064 126.826 119.800 -0.063 0.000 3.018 64 Q HA 0.484 4.882 4.340 -0.056 -0.091 0.209 64 Q C -1.641 174.307 176.000 -0.088 0.000 1.036 64 Q CA -1.909 53.846 55.803 -0.080 0.000 0.886 64 Q CB 4.268 32.931 28.738 -0.125 0.000 2.058 64 Q HN 0.708 8.942 8.270 -0.061 0.000 0.452 65 R N -2.454 118.048 120.500 0.002 0.000 3.008 65 R HA 0.429 5.119 4.340 0.305 -0.168 0.284 65 R C -1.173 175.203 176.300 0.128 0.000 1.187 65 R CA 0.052 56.219 56.100 0.113 0.000 1.139 65 R CB 2.270 32.531 30.300 -0.065 0.000 1.273 65 R HN 0.560 8.805 8.270 -0.043 0.000 0.410 70 E N -0.643 119.652 120.200 0.159 0.000 2.313 70 E HA 0.138 4.571 4.350 0.137 0.000 0.272 70 E C -1.709 175.069 176.600 0.298 0.000 1.038 70 E CA 0.111 56.626 56.400 0.192 0.000 0.863 70 E CB 1.265 31.025 29.700 0.101 0.000 1.060 70 E HN -0.557 7.871 8.360 0.181 0.041 0.402 71 D N 2.108 122.655 120.400 0.245 0.000 3.163 71 D HA 0.070 4.902 4.640 0.321 0.000 0.228 71 D C -1.035 175.458 176.300 0.322 0.000 1.521 71 D CA 1.151 55.307 54.000 0.261 0.000 1.334 71 D CB 2.530 43.405 40.800 0.125 0.000 1.126 71 D HN 0.099 8.568 8.370 0.166 0.000 0.304 72 N N 0.989 119.790 118.700 0.169 0.000 2.406 72 N HA 0.267 5.250 4.740 0.169 -0.142 0.251 72 N C 2.127 177.646 175.510 0.015 0.000 1.069 72 N CA -0.924 52.195 53.050 0.115 0.000 0.947 72 N CB 0.555 39.086 38.487 0.074 0.000 1.111 72 N HN -0.327 8.438 8.380 0.125 -0.311 0.497 73 I N 0.268 120.762 120.570 -0.126 0.000 3.334 73 I HA -0.106 4.085 4.170 -0.241 -0.167 0.282 73 I C -0.433 175.596 176.117 -0.145 0.000 1.313 73 I CA 1.390 62.519 61.300 -0.284 0.000 1.396 73 I CB -0.878 36.729 38.000 -0.655 0.000 1.054 73 I HN 0.442 8.591 8.210 -0.101 0.000 0.495 74 N N -2.088 116.574 118.700 -0.063 0.000 2.184 74 N HA 0.167 4.882 4.740 -0.042 0.000 0.206 74 N C -1.023 174.490 175.510 0.005 0.000 1.151 74 N CA -0.125 52.909 53.050 -0.028 0.000 0.878 74 N CB 2.318 40.800 38.487 -0.010 0.000 1.014 74 N HN 0.012 8.674 8.380 -0.039 -0.305 0.512 75 V N 0.560 120.486 119.914 0.019 0.000 2.577 75 V HA 0.051 4.191 4.120 0.033 0.000 0.303 75 V C -1.373 174.752 176.094 0.053 0.000 1.042 75 V CA -1.038 61.283 62.300 0.035 0.000 0.872 75 V CB 3.051 34.893 31.823 0.032 0.000 0.998 75 V HN -0.695 7.421 8.190 0.014 0.082 0.423 76 V N 7.902 127.852 119.914 0.060 0.000 2.405 76 V HA -0.217 4.161 4.120 0.089 -0.204 0.264 76 V C 0.290 176.398 176.094 0.022 0.000 1.048 76 V CA 0.840 63.175 62.300 0.058 0.000 0.966 76 V CB -0.400 31.454 31.823 0.051 0.000 1.015 76 V HN 0.336 8.558 8.190 0.053 0.000 0.477 77 E N 6.831 127.042 120.200 0.019 0.000 2.472 77 E HA 0.132 4.489 4.350 0.012 0.000 0.196 77 E C 0.378 176.975 176.600 -0.006 0.000 1.033 77 E CA -0.537 55.870 56.400 0.011 0.000 0.886 77 E CB 0.410 30.125 29.700 0.026 0.000 0.944 77 E HN 0.534 9.330 8.360 0.029 -0.419 0.492 78 G N -0.780 108.003 108.800 -0.028 0.000 2.380 78 G HA2 -0.129 3.797 3.960 -0.057 0.000 0.197 78 G HA3 -0.129 3.814 3.960 -0.028 0.000 0.197 78 G C -0.619 174.249 174.900 -0.053 0.000 1.001 78 G CA -0.030 45.044 45.100 -0.043 0.000 0.668 78 G HN -0.052 8.462 8.290 -0.035 -0.245 0.483 79 N N -0.030 118.645 118.700 -0.041 0.000 2.203 79 N HA 0.123 4.835 4.740 -0.046 0.000 0.207 79 N C -1.125 174.349 175.510 -0.060 0.000 1.130 79 N CA -0.243 52.784 53.050 -0.039 0.000 0.861 79 N CB 0.710 39.192 38.487 -0.008 0.000 1.005 79 N HN 0.249 8.615 8.380 -0.023 0.000 0.507 80 E N 0.107 120.239 120.200 -0.113 0.000 2.383 80 E HA 0.096 4.651 4.350 -0.050 -0.234 0.264 80 E C -0.148 176.274 176.600 -0.296 0.000 1.050 80 E CA 0.508 56.799 56.400 -0.182 0.000 0.896 80 E CB 0.441 29.935 29.700 -0.344 0.000 0.982 80 E HN -0.410 7.812 8.360 -0.118 0.067 0.424 81 Q N 1.548 121.235 119.800 -0.189 0.000 2.290 81 Q HA 0.261 4.466 4.340 -0.226 0.000 0.269 81 Q C -1.381 174.647 176.000 0.047 0.000 1.016 81 Q CA -1.168 54.556 55.803 -0.132 0.000 0.754 81 Q CB 2.451 31.171 28.738 -0.029 0.000 1.247 81 Q HN 0.301 8.546 8.270 -0.042 0.000 0.451 82 F N 3.718 123.650 119.950 -0.030 0.000 2.402 82 F HA 0.448 5.136 4.527 -0.044 -0.187 0.355 82 F C -0.130 175.647 175.800 -0.038 0.000 1.123 82 F CA -2.849 55.127 58.000 -0.039 0.000 1.021 82 F CB 0.977 39.952 39.000 -0.043 0.000 1.160 82 F HN 0.362 8.586 8.300 -0.127 0.000 0.451 83 I N 3.853 124.506 120.570 0.138 0.000 2.533 83 I HA 0.301 4.500 4.170 0.048 0.000 0.290 83 I C -1.571 174.553 176.117 0.011 0.000 1.056 83 I CA -1.356 59.974 61.300 0.049 0.000 1.057 83 I CB 4.103 42.113 38.000 0.018 0.000 1.240 83 I HN 0.805 9.096 8.210 0.134 0.000 0.423 84 S N 4.919 120.614 115.700 -0.009 0.000 2.603 84 S HA 0.040 4.490 4.470 -0.034 0.000 0.268 84 S C -0.611 173.957 174.600 -0.052 0.000 1.317 84 S CA -0.072 58.108 58.200 -0.032 0.000 1.012 84 S CB 0.997 64.178 63.200 -0.032 0.000 0.926 84 S HN 0.362 8.670 8.310 -0.003 0.000 0.539 85 A N 3.214 126.000 122.820 -0.057 0.000 2.327 85 A HA 0.440 4.836 4.320 -0.103 -0.138 0.283 85 A C -0.423 177.115 177.584 -0.077 0.000 1.127 85 A CA -0.685 51.306 52.037 -0.075 0.000 0.810 85 A CB 0.991 19.962 19.000 -0.049 0.000 1.066 85 A HN -0.261 7.860 8.150 -0.049 0.000 0.492 86 S N 2.659 118.292 115.700 -0.110 0.000 2.475 86 S HA 0.131 4.563 4.470 -0.063 0.000 0.224 86 S C 0.363 174.923 174.600 -0.067 0.000 1.042 86 S CA 1.154 59.300 58.200 -0.090 0.000 0.935 86 S CB 1.199 64.328 63.200 -0.118 0.000 0.801 86 S HN 0.710 8.816 8.310 -0.162 0.107 0.509 87 K N -0.201 120.148 120.400 -0.085 0.000 2.587 87 K HA 0.274 4.606 4.320 0.021 0.000 0.276 87 K C -2.487 174.127 176.600 0.022 0.000 0.956 87 K CA -0.219 56.060 56.287 -0.013 0.000 0.857 87 K CB 2.742 35.246 32.500 0.007 0.000 1.431 87 K HN -0.745 7.419 8.250 -0.143 0.000 0.420 88 S N 1.149 116.914 115.700 0.108 0.000 2.526 88 S HA 0.897 5.642 4.470 0.165 -0.177 0.293 88 S C -0.774 173.938 174.600 0.186 0.000 1.092 88 S CA -0.877 57.429 58.200 0.178 0.000 0.980 88 S CB 2.524 65.889 63.200 0.276 0.000 1.048 88 S HN 0.153 8.534 8.310 0.117 0.000 0.483 89 I N 7.117 127.817 120.570 0.218 0.000 2.468 89 I HA 0.179 4.443 4.170 0.157 0.000 0.284 89 I C -1.677 174.591 176.117 0.251 0.000 1.038 89 I CA -0.526 60.906 61.300 0.219 0.000 1.083 89 I CB 2.783 40.935 38.000 0.254 0.000 1.223 89 I HN 0.977 9.334 8.210 0.246 0.000 0.443 90 V N 7.185 127.175 119.914 0.126 0.000 2.686 90 V HA -0.107 4.073 4.120 0.099 0.000 0.295 90 V C -0.452 175.710 176.094 0.114 0.000 1.057 90 V CA -0.960 61.383 62.300 0.072 0.000 1.012 90 V CB 1.049 32.817 31.823 -0.091 0.000 1.006 90 V HN 0.254 8.475 8.190 0.052 0.000 0.477 91 H N 7.667 126.686 119.070 -0.085 0.000 3.094 91 H HA -0.098 4.019 4.556 -0.731 0.000 0.320 91 H C 0.084 175.308 175.328 -0.173 0.000 1.000 91 H CA 0.393 56.186 56.048 -0.425 0.000 1.413 91 H CB 1.620 31.028 29.762 -0.589 0.000 1.405 91 H HN -0.245 8.055 8.280 0.033 0.000 0.586 92 P HA -0.128 4.244 4.420 -0.080 0.000 0.218 92 P C -0.463 176.829 177.300 -0.013 0.000 1.146 92 P CA 1.822 64.799 63.100 -0.205 0.000 0.813 92 P CB 0.243 31.802 31.700 -0.234 0.000 0.778 93 S N -2.677 113.150 115.700 0.212 0.000 2.574 93 S HA 0.131 4.653 4.470 0.087 0.000 0.242 93 S C -1.237 173.474 174.600 0.185 0.000 0.982 93 S CA -0.509 57.809 58.200 0.197 0.000 0.977 93 S CB 0.362 63.674 63.200 0.186 0.000 0.814 93 S HN -0.298 8.292 8.310 0.520 0.032 0.464 94 Y N 3.866 124.210 120.300 0.074 0.000 2.526 94 Y HA -0.259 4.464 4.550 -0.032 -0.192 0.330 94 Y C -0.827 175.065 175.900 -0.014 0.000 1.156 94 Y CA 0.663 58.764 58.100 0.001 0.000 1.419 94 Y CB 0.911 39.370 38.460 -0.001 0.000 1.250 94 Y HN -0.712 7.686 8.280 0.306 0.067 0.540 95 N N 7.687 126.019 118.700 -0.613 0.000 2.518 95 N HA 0.228 4.686 4.740 -0.470 0.000 0.254 95 N C -0.114 174.853 175.510 -0.904 0.000 0.979 95 N CA -1.369 51.335 53.050 -0.577 0.000 0.930 95 N CB 1.091 39.411 38.487 -0.278 0.000 1.152 95 N HN -0.235 7.906 8.380 -0.397 0.000 0.505 96 S N 6.705 121.852 115.700 -0.920 0.000 2.555 96 S HA -0.051 4.035 4.470 -0.640 0.000 0.230 96 S C 0.802 175.227 174.600 -0.291 0.000 0.978 96 S CA 2.217 60.074 58.200 -0.572 0.000 0.934 96 S CB -0.187 62.865 63.200 -0.246 0.000 0.766 96 S HN 0.756 8.626 8.310 -0.733 0.000 0.533 97 N N 1.035 119.567 118.700 -0.280 0.000 2.336 97 N HA 0.072 4.698 4.740 -0.190 0.000 0.177 97 N C 1.022 176.380 175.510 -0.252 0.000 1.018 97 N CA 2.339 55.260 53.050 -0.215 0.000 0.878 97 N CB 0.708 39.094 38.487 -0.170 0.000 0.997 97 N HN -0.093 8.316 8.380 -0.314 -0.218 0.433 98 T N -4.415 109.984 114.554 -0.259 0.000 3.014 98 T HA 0.096 4.261 4.350 -0.308 0.000 0.250 98 T C 0.272 174.790 174.700 -0.304 0.000 1.060 98 T CA 0.373 62.313 62.100 -0.267 0.000 1.040 98 T CB 1.678 70.442 68.868 -0.173 0.000 0.971 98 T HN -0.629 7.674 8.240 -0.262 -0.220 0.497 99 L N -3.729 117.351 121.223 -0.237 0.000 4.291 99 L HA -0.445 4.023 4.340 0.121 -0.055 0.413 99 L C -1.689 175.221 176.870 0.067 0.000 1.162 99 L CA 0.620 55.429 54.840 -0.051 0.000 0.961 99 L CB -3.094 38.843 42.059 -0.203 0.000 2.095 99 L HN -0.052 8.013 8.230 -0.274 0.000 0.838 100 N N -0.430 118.268 118.700 -0.004 0.000 2.520 100 N HA -0.127 4.669 4.740 0.092 0.000 0.273 100 N C -0.161 175.406 175.510 0.094 0.000 1.155 100 N CA 0.528 53.608 53.050 0.049 0.000 0.967 100 N CB 1.156 39.645 38.487 0.003 0.000 1.092 100 N HN -0.806 7.465 8.380 -0.099 0.050 0.457 101 N N -0.693 118.053 118.700 0.076 0.000 2.780 101 N HA -0.463 4.188 4.740 -0.149 0.000 0.247 101 N C -1.357 174.125 175.510 -0.048 0.000 1.076 101 N CA 1.327 54.322 53.050 -0.092 0.000 0.688 101 N CB -1.505 36.851 38.487 -0.220 0.000 0.957 101 N HN 0.653 9.095 8.380 0.104 0.000 0.551 102 D N -0.681 119.731 120.400 0.021 0.000 2.551 102 D HA 0.057 4.625 4.640 -0.118 0.000 0.223 102 D C -2.117 174.082 176.300 -0.168 0.000 1.144 102 D CA -0.173 53.821 54.000 -0.011 0.000 1.025 102 D CB -0.808 40.093 40.800 0.170 0.000 1.085 102 D HN -0.143 8.257 8.370 0.050 0.000 0.506 103 I N 1.720 122.127 120.570 -0.271 0.000 2.827 103 I HA 0.702 4.993 4.170 -0.113 -0.188 0.298 103 I C -3.087 172.998 176.117 -0.053 0.000 1.235 103 I CA -1.450 59.735 61.300 -0.191 0.000 1.021 103 I CB 3.967 41.729 38.000 -0.396 0.000 1.259 103 I HN -0.277 7.714 8.210 -0.299 0.039 0.427 104 M N 5.957 125.610 119.600 0.089 0.000 2.569 104 M HA 0.683 5.489 4.480 0.339 -0.124 0.279 104 M C -2.847 173.608 176.300 0.259 0.000 1.253 104 M CA -0.989 54.439 55.300 0.212 0.000 0.867 104 M CB 4.992 37.650 32.600 0.097 0.000 1.727 104 M HN 0.490 8.823 8.290 0.072 0.000 0.467 105 L N 1.584 122.987 121.223 0.301 0.000 2.346 105 L HA 0.885 5.561 4.340 0.259 -0.180 0.274 105 L C -1.394 175.659 176.870 0.305 0.000 1.007 105 L CA -1.472 53.541 54.840 0.289 0.000 0.818 105 L CB 3.508 45.689 42.059 0.204 0.000 1.284 105 L HN 0.393 8.829 8.230 0.343 0.000 0.424 106 I N 1.089 121.823 120.570 0.274 0.000 2.447 106 I HA 0.521 4.906 4.170 0.084 -0.164 0.287 106 I C -1.732 174.310 176.117 -0.125 0.000 1.023 106 I CA -1.223 60.133 61.300 0.094 0.000 1.083 106 I CB 3.122 41.157 38.000 0.059 0.000 1.245 106 I HN 0.955 9.352 8.210 0.312 0.000 0.434 107 K N 7.079 127.206 120.400 -0.455 0.000 2.156 107 K HA 0.714 4.413 4.320 -1.328 -0.176 0.271 107 K C -1.108 175.198 176.600 -0.491 0.000 0.995 107 K CA -1.913 53.767 56.287 -1.012 0.000 0.890 107 K CB 3.024 34.698 32.500 -1.377 0.000 1.073 107 K HN 0.770 8.847 8.250 -0.289 0.000 0.454 108 L N 4.976 125.944 121.223 -0.425 0.000 2.395 108 L HA 0.217 4.580 4.340 -0.169 -0.125 0.269 108 L C 1.853 178.604 176.870 -0.199 0.000 1.133 108 L CA -0.023 54.683 54.840 -0.224 0.000 0.812 108 L CB 0.340 42.309 42.059 -0.149 0.000 1.125 108 L HN 0.891 8.681 8.230 -0.541 0.115 0.452 109 K N 2.518 122.842 120.400 -0.127 0.000 2.097 109 K HA -0.328 3.928 4.320 -0.106 0.000 0.206 109 K C -0.442 176.110 176.600 -0.080 0.000 1.049 109 K CA 2.769 58.999 56.287 -0.095 0.000 0.933 109 K CB 0.509 32.973 32.500 -0.061 0.000 0.717 109 K HN 0.656 8.844 8.250 -0.104 0.000 0.442 110 S N -3.930 111.728 115.700 -0.070 0.000 2.627 110 S HA 0.105 4.545 4.470 -0.051 0.000 0.283 110 S C -1.803 172.768 174.600 -0.049 0.000 1.127 110 S CA -0.882 57.288 58.200 -0.050 0.000 0.863 110 S CB 2.876 66.057 63.200 -0.032 0.000 1.121 110 S HN -0.598 7.666 8.310 -0.068 0.005 0.479 111 A N -0.220 122.580 122.820 -0.033 0.000 2.371 111 A HA 0.034 4.489 4.320 -0.029 -0.152 0.257 111 A C -0.231 177.348 177.584 -0.008 0.000 1.089 111 A CA -0.318 51.708 52.037 -0.019 0.000 0.794 111 A CB 0.725 19.724 19.000 -0.002 0.000 1.029 111 A HN 0.156 8.290 8.150 -0.026 0.000 0.488 112 A N 1.524 124.345 122.820 0.002 0.000 2.287 112 A HA 0.236 4.626 4.320 0.001 -0.069 0.273 112 A C -0.431 177.159 177.584 0.011 0.000 1.091 112 A CA -1.267 50.774 52.037 0.008 0.000 0.817 112 A CB 1.331 20.345 19.000 0.023 0.000 1.069 112 A HN 0.367 8.413 8.150 0.006 0.108 0.492 113 S N 0.075 115.778 115.700 0.006 0.000 2.410 113 S HA 0.145 4.620 4.470 0.008 0.000 0.304 113 S C -0.504 174.104 174.600 0.014 0.000 1.095 113 S CA -0.631 57.573 58.200 0.006 0.000 1.089 113 S CB 0.484 63.681 63.200 -0.005 0.000 0.968 113 S HN 0.108 8.780 8.310 0.000 -0.362 0.480 114 L N 6.361 127.597 121.223 0.021 0.000 2.312 114 L HA 0.374 4.896 4.340 0.033 -0.162 0.281 114 L C -0.419 176.465 176.870 0.024 0.000 1.070 114 L CA -0.394 54.464 54.840 0.030 0.000 0.805 114 L CB 0.432 42.514 42.059 0.039 0.000 1.174 114 L HN 0.258 8.500 8.230 0.021 0.000 0.434 115 N N 4.489 123.204 118.700 0.025 0.000 3.662 115 N HA 0.207 4.959 4.740 0.020 0.000 0.343 115 N C -0.805 174.721 175.510 0.026 0.000 1.583 115 N CA -0.358 52.704 53.050 0.021 0.000 0.710 115 N CB 0.698 39.192 38.487 0.012 0.000 2.746 115 N HN 0.524 8.922 8.380 0.030 0.000 0.577 116 S N -1.888 113.825 115.700 0.021 0.000 2.425 116 S HA -0.003 4.486 4.470 0.032 0.000 0.225 116 S C 0.629 175.243 174.600 0.023 0.000 1.024 116 S CA 1.997 60.212 58.200 0.025 0.000 0.951 116 S CB 0.383 63.595 63.200 0.019 0.000 0.796 116 S HN 0.117 8.436 8.310 0.016 0.000 0.498 117 R N -1.570 118.939 120.500 0.016 0.000 2.246 117 R HA -0.083 4.259 4.340 0.004 0.000 0.199 117 R C -1.435 174.873 176.300 0.013 0.000 0.984 117 R CA 0.743 56.849 56.100 0.010 0.000 1.015 117 R CB 1.249 31.553 30.300 0.007 0.000 0.930 117 R HN -0.212 8.360 8.270 0.015 -0.294 0.475 118 V N -1.247 118.681 119.914 0.025 0.000 2.447 118 V HA 0.265 4.616 4.120 0.037 -0.209 0.292 118 V C -2.220 173.907 176.094 0.054 0.000 1.021 118 V CA -1.142 61.181 62.300 0.037 0.000 0.850 118 V CB 2.508 34.350 31.823 0.032 0.000 1.005 118 V HN -0.781 7.582 8.190 0.025 -0.158 0.426 119 A N 6.414 129.283 122.820 0.081 0.000 2.556 119 A HA 0.524 4.892 4.320 0.080 0.000 0.294 119 A C -2.785 174.888 177.584 0.149 0.000 1.091 119 A CA -1.143 50.956 52.037 0.103 0.000 0.704 119 A CB 3.236 22.299 19.000 0.105 0.000 1.300 119 A HN 0.072 8.156 8.150 0.086 0.117 0.406 120 S N -1.473 114.301 115.700 0.123 0.000 2.693 120 S HA 0.456 5.153 4.470 0.167 -0.127 0.276 120 S C -0.807 173.853 174.600 0.101 0.000 1.192 120 S CA -0.803 57.474 58.200 0.128 0.000 0.994 120 S CB 1.625 64.879 63.200 0.090 0.000 1.012 120 S HN -0.049 8.318 8.310 0.095 0.000 0.550 121 I N 0.594 121.183 120.570 0.031 0.000 2.562 121 I HA 0.209 4.317 4.170 -0.104 0.000 0.301 121 I C -1.158 174.913 176.117 -0.077 0.000 1.003 121 I CA -1.810 59.412 61.300 -0.129 0.000 1.127 121 I CB 3.629 41.346 38.000 -0.472 0.000 1.304 121 I HN 0.207 8.449 8.210 0.053 0.000 0.446 122 S N 6.542 122.194 115.700 -0.079 0.000 2.580 122 S HA 0.200 4.655 4.470 -0.025 0.000 0.274 122 S C -0.570 174.003 174.600 -0.045 0.000 1.329 122 S CA 0.262 58.435 58.200 -0.045 0.000 1.036 122 S CB 0.669 63.848 63.200 -0.036 0.000 0.919 122 S HN 0.280 8.530 8.310 -0.100 0.000 0.515 123 L N 2.589 123.799 121.223 -0.021 0.000 2.439 123 L HA 0.185 4.524 4.340 -0.002 0.000 0.261 123 L C -1.278 175.588 176.870 -0.006 0.000 1.153 123 L CA -2.333 52.504 54.840 -0.004 0.000 0.808 123 L CB 0.214 42.278 42.059 0.008 0.000 1.126 123 L HN 0.245 8.465 8.230 -0.016 0.000 0.460 124 P HA 0.153 4.564 4.420 -0.016 0.000 0.279 124 P C -1.204 176.095 177.300 -0.001 0.000 1.252 124 P CA -0.812 62.286 63.100 -0.004 0.000 0.811 124 P CB 0.750 32.448 31.700 -0.002 0.000 1.035 128 c N 1.449 120.025 118.600 -0.040 0.000 2.536 128 c HA 0.109 4.647 4.570 -0.055 0.000 0.396 128 c C -0.180 173.852 174.090 -0.097 0.000 1.279 128 c CA -0.049 56.243 56.329 -0.061 0.000 2.148 128 c CB 0.397 42.876 42.510 -0.052 0.000 2.584 128 c HN 0.060 8.269 8.230 -0.035 0.000 0.579 129 A N 4.077 126.804 122.820 -0.154 0.000 2.332 129 A HA -0.036 4.207 4.320 -0.128 0.000 0.258 129 A C -1.186 176.284 177.584 -0.190 0.000 1.087 129 A CA 0.126 52.055 52.037 -0.180 0.000 0.802 129 A CB 0.706 19.558 19.000 -0.246 0.000 1.042 129 A HN 0.237 8.279 8.150 -0.179 0.000 0.489 133 G N 0.977 109.735 108.800 -0.071 0.000 2.279 133 G HA2 -0.281 3.649 3.960 -0.051 0.000 0.223 133 G HA3 -0.281 3.651 3.960 -0.048 0.000 0.223 133 G C -0.074 174.786 174.900 -0.066 0.000 1.015 133 G CA -0.054 45.011 45.100 -0.058 0.000 0.621 133 G HN 0.685 8.823 8.290 -0.076 0.106 0.506 134 T N 3.726 118.228 114.554 -0.088 0.000 2.902 134 T HA -0.187 4.122 4.350 -0.067 0.000 0.301 134 T C -1.112 173.541 174.700 -0.080 0.000 1.012 134 T CA 2.453 64.501 62.100 -0.088 0.000 1.151 134 T CB 0.460 69.254 68.868 -0.123 0.000 0.946 134 T HN -0.528 7.561 8.240 -0.104 0.089 0.542 135 Q N 5.573 125.342 119.800 -0.052 0.000 2.235 135 Q HA 0.149 4.587 4.340 -0.045 -0.124 0.250 135 Q C -1.432 174.548 176.000 -0.033 0.000 0.909 135 Q CA -0.053 55.730 55.803 -0.034 0.000 0.910 135 Q CB 1.965 30.700 28.738 -0.004 0.000 1.223 135 Q HN 0.199 8.442 8.270 -0.044 0.000 0.432 136 c N 2.802 121.386 118.600 -0.028 0.000 3.044 136 c HA 0.597 5.257 4.570 -0.017 -0.100 0.315 136 c C -1.842 172.255 174.090 0.012 0.000 1.320 136 c CA -1.396 54.920 56.329 -0.022 0.000 1.582 136 c CB 4.287 46.766 42.510 -0.053 0.000 2.039 136 c HN 0.810 8.912 8.230 -0.028 0.111 0.466 137 L N 0.832 122.070 121.223 0.026 0.000 2.305 137 L HA 0.840 5.389 4.340 0.066 -0.170 0.284 137 L C -2.288 174.600 176.870 0.031 0.000 1.013 137 L CA -1.284 53.588 54.840 0.053 0.000 0.819 137 L CB 3.057 45.169 42.059 0.089 0.000 1.227 137 L HN 0.656 8.790 8.230 0.018 0.107 0.417 138 I N 7.770 128.345 120.570 0.009 0.000 2.474 138 I HA 0.837 5.240 4.170 0.020 -0.221 0.294 138 I C -1.423 174.673 176.117 -0.036 0.000 1.005 138 I CA -1.476 59.825 61.300 0.002 0.000 1.113 138 I CB 2.778 40.780 38.000 0.003 0.000 1.289 138 I HN 1.050 9.269 8.210 0.015 0.000 0.436 139 S N 3.051 118.724 115.700 -0.045 0.000 2.588 139 S HA 0.999 5.499 4.470 -0.203 -0.152 0.275 139 S C -1.210 173.280 174.600 -0.184 0.000 1.130 139 S CA -1.786 56.314 58.200 -0.167 0.000 0.855 139 S CB 3.760 66.822 63.200 -0.230 0.000 1.116 139 S HN -0.206 8.108 8.310 0.007 0.000 0.472 140 G N -1.229 107.374 108.800 -0.329 0.000 2.316 140 G HA2 0.180 3.892 3.960 -0.414 0.000 0.296 140 G HA3 0.180 4.249 3.960 -0.060 -0.145 0.296 140 G C -2.266 172.410 174.900 -0.374 0.000 1.399 140 G CA 0.583 45.506 45.100 -0.295 0.000 0.833 140 G HN 0.248 8.293 8.290 -0.407 0.000 0.565 141 W N 1.116 122.379 121.300 -0.061 0.000 3.194 141 W HA 0.376 4.988 4.660 -0.079 0.000 0.408 141 W C -0.041 176.511 176.519 0.056 0.000 1.072 141 W CA -0.862 56.418 57.345 -0.107 0.000 1.953 141 W CB 0.188 29.401 29.460 -0.411 0.000 1.091 141 W HN 0.576 8.914 8.180 0.263 0.000 0.699 142 G N 0.697 109.645 108.800 0.247 0.000 2.616 142 G HA2 -0.087 4.188 3.960 0.461 0.000 0.268 142 G HA3 -0.087 4.244 3.960 0.214 -0.242 0.268 142 G C -0.817 174.105 174.900 0.037 0.000 1.213 142 G CA -0.729 44.528 45.100 0.261 0.000 0.926 142 G HN -0.308 8.260 8.290 0.150 -0.188 0.523 143 N N -0.045 118.534 118.700 -0.202 0.000 2.294 143 N HA -0.323 3.960 4.740 -1.042 -0.169 0.248 143 N C 0.771 176.136 175.510 -0.241 0.000 1.242 143 N CA 1.300 53.990 53.050 -0.600 0.000 0.848 143 N CB 0.658 38.811 38.487 -0.556 0.000 1.084 143 N HN 0.180 8.563 8.380 0.004 0.000 0.457 144 T N 0.030 114.453 114.554 -0.218 0.000 3.092 144 T HA 0.216 4.659 4.350 -0.075 -0.137 0.258 144 T C 0.108 174.761 174.700 -0.078 0.000 1.031 144 T CA 0.185 62.223 62.100 -0.103 0.000 0.925 144 T CB 1.377 70.201 68.868 -0.073 0.000 1.036 144 T HN 0.235 8.301 8.240 -0.289 0.000 0.544 145 K N 1.578 121.919 120.400 -0.099 0.000 2.259 145 K HA 0.347 4.645 4.320 -0.036 0.000 0.249 145 K C -0.567 176.011 176.600 -0.036 0.000 0.942 145 K CA -1.064 55.190 56.287 -0.055 0.000 0.816 145 K CB 2.100 34.569 32.500 -0.052 0.000 1.155 145 K HN -0.703 7.651 8.250 -0.157 -0.198 0.428 146 S N 1.480 117.172 115.700 -0.013 0.000 2.458 146 S HA -0.088 4.387 4.470 0.008 0.000 0.223 146 S C -0.208 174.397 174.600 0.009 0.000 1.019 146 S CA 1.347 59.550 58.200 0.005 0.000 0.937 146 S CB 0.279 63.486 63.200 0.012 0.000 0.788 146 S HN 0.382 8.685 8.310 -0.011 0.000 0.511 147 S N -1.305 114.398 115.700 0.005 0.000 2.561 147 S HA 0.253 4.734 4.470 0.017 0.000 0.303 147 S C -1.594 173.010 174.600 0.007 0.000 1.110 147 S CA -0.729 57.478 58.200 0.011 0.000 1.034 147 S CB 1.901 65.109 63.200 0.012 0.000 1.010 147 S HN -0.530 7.779 8.310 -0.001 0.000 0.482 148 G N 0.633 109.441 108.800 0.013 0.000 2.710 148 G HA2 -0.273 3.702 3.960 0.026 0.000 0.668 148 G HA3 -0.273 3.692 3.960 0.009 0.000 0.668 148 G C -2.063 172.839 174.900 0.003 0.000 1.320 148 G CA -0.596 44.513 45.100 0.015 0.000 0.860 148 G HN 0.035 8.337 8.290 0.021 0.000 0.538 149 T N -4.628 109.934 114.554 0.013 0.000 2.912 149 T HA 0.186 4.665 4.350 -0.126 -0.205 0.299 149 T C -1.618 173.072 174.700 -0.017 0.000 1.052 149 T CA -1.608 60.481 62.100 -0.019 0.000 0.996 149 T CB 3.016 71.974 68.868 0.149 0.000 1.070 149 T HN -0.186 8.072 8.240 0.031 0.000 0.465 150 S N 2.944 118.553 115.700 -0.151 0.000 2.653 150 S HA 0.191 4.711 4.470 0.083 0.000 0.268 150 S C -2.250 172.237 174.600 -0.188 0.000 1.153 150 S CA 0.453 58.627 58.200 -0.044 0.000 1.036 150 S CB 1.101 64.283 63.200 -0.030 0.000 1.103 150 S HN 0.516 8.959 8.310 -0.382 -0.362 0.466 151 Y N 5.635 125.969 120.300 0.057 0.000 2.328 151 Y HA 0.184 4.784 4.550 0.084 0.000 0.337 151 Y C -1.500 174.444 175.900 0.074 0.000 1.008 151 Y CA -2.793 55.353 58.100 0.076 0.000 1.129 151 Y CB 0.722 39.233 38.460 0.085 0.000 1.185 151 Y HN 0.066 8.541 8.280 0.325 0.000 0.476 152 P HA 0.117 4.609 4.420 0.119 0.000 0.281 152 P C -1.553 175.875 177.300 0.213 0.000 1.249 152 P CA -1.018 62.174 63.100 0.153 0.000 0.810 152 P CB 1.509 33.267 31.700 0.097 0.000 1.008 153 D N -0.836 119.666 120.400 0.169 0.000 2.301 153 D HA -0.011 4.702 4.640 0.123 0.000 0.206 153 D C -0.775 175.685 176.300 0.266 0.000 0.979 153 D CA 1.176 55.270 54.000 0.156 0.000 0.874 153 D CB 1.003 41.856 40.800 0.088 0.000 0.968 153 D HN 0.468 8.916 8.370 0.130 0.000 0.510 154 V N -7.892 112.170 119.914 0.247 0.000 2.975 154 V HA 0.641 5.261 4.120 0.402 -0.259 0.318 154 V C -0.814 175.330 176.094 0.083 0.000 1.077 154 V CA -2.820 59.630 62.300 0.251 0.000 1.000 154 V CB 2.187 34.076 31.823 0.110 0.000 1.066 154 V HN -0.956 7.335 8.190 0.169 0.000 0.452 155 L N 2.092 123.236 121.223 -0.131 0.000 2.455 155 L HA -0.058 3.537 4.340 -1.241 0.000 0.272 155 L C -0.275 176.342 176.870 -0.422 0.000 1.174 155 L CA 0.811 55.250 54.840 -0.668 0.000 0.869 155 L CB 0.534 42.169 42.059 -0.707 0.000 1.130 155 L HN -0.118 8.331 8.230 0.069 -0.178 0.474 156 K N 5.634 125.763 120.400 -0.453 0.000 2.156 156 K HA 0.638 4.905 4.320 -0.334 -0.147 0.250 156 K C -1.092 175.256 176.600 -0.420 0.000 0.955 156 K CA -2.515 53.562 56.287 -0.351 0.000 0.855 156 K CB 2.333 34.697 32.500 -0.227 0.000 1.101 156 K HN -0.131 7.775 8.250 -0.574 0.000 0.434 157 c N -0.410 117.848 118.600 -0.571 0.000 2.707 157 c HA 0.929 5.438 4.570 -0.379 -0.167 0.313 157 c C -1.847 171.935 174.090 -0.513 0.000 1.209 157 c CA -0.707 55.248 56.329 -0.624 0.000 1.635 157 c CB 3.686 45.630 42.510 -0.944 0.000 2.206 157 c HN 0.754 8.584 8.230 -0.666 0.000 0.485 158 L N 0.865 121.983 121.223 -0.174 0.000 2.493 158 L HA 0.446 4.887 4.340 0.169 0.000 0.265 158 L C -2.558 174.400 176.870 0.146 0.000 0.954 158 L CA -0.057 54.824 54.840 0.068 0.000 0.844 158 L CB 4.507 46.611 42.059 0.075 0.000 1.302 158 L HN 0.733 8.879 8.230 -0.139 0.000 0.405 159 K N 6.261 126.803 120.400 0.237 0.000 2.213 159 K HA 0.856 5.463 4.320 0.129 -0.209 0.270 159 K C -1.509 175.209 176.600 0.197 0.000 1.002 159 K CA -0.939 55.458 56.287 0.182 0.000 0.868 159 K CB 1.495 34.102 32.500 0.179 0.000 1.093 159 K HN 0.290 8.717 8.250 0.296 0.000 0.454 160 A N 2.771 125.644 122.820 0.088 0.000 2.572 160 A HA 0.667 4.992 4.320 0.007 0.000 0.295 160 A C -3.298 174.215 177.584 -0.118 0.000 1.072 160 A CA -2.910 49.108 52.037 -0.032 0.000 0.691 160 A CB 3.070 22.032 19.000 -0.063 0.000 1.291 160 A HN 0.828 8.898 8.150 0.044 0.106 0.404 161 P HA 0.748 5.323 4.420 -0.104 -0.218 0.284 161 P C -1.074 176.149 177.300 -0.128 0.000 1.258 161 P CA -1.467 61.544 63.100 -0.149 0.000 0.824 161 P CB 1.536 33.152 31.700 -0.139 0.000 1.038 162 I N 0.080 120.590 120.570 -0.100 0.000 2.529 162 I HA -0.028 4.283 4.170 0.050 -0.112 0.284 162 I C 0.031 176.124 176.117 -0.041 0.000 1.082 162 I CA 0.481 61.744 61.300 -0.061 0.000 1.406 162 I CB 0.625 38.491 38.000 -0.224 0.000 1.405 162 I HN 0.156 8.298 8.210 -0.114 0.000 0.548 163 L N 6.429 127.666 121.223 0.023 0.000 2.387 163 L HA 0.231 4.559 4.340 -0.020 0.000 0.266 163 L C -0.508 176.376 176.870 0.024 0.000 1.059 163 L CA -0.937 53.909 54.840 0.011 0.000 0.801 163 L CB 0.846 42.921 42.059 0.027 0.000 1.223 163 L HN 0.456 8.641 8.230 0.103 0.107 0.456 164 S N -0.485 115.223 115.700 0.013 0.000 2.585 164 S HA -0.107 4.367 4.470 0.005 0.000 0.273 164 S C 0.626 175.250 174.600 0.040 0.000 1.339 164 S CA -0.028 58.181 58.200 0.016 0.000 1.028 164 S CB 1.350 64.554 63.200 0.008 0.000 0.906 164 S HN 0.002 8.315 8.310 0.005 0.000 0.528 165 D N 2.054 122.478 120.400 0.041 0.000 2.178 165 D HA -0.227 4.463 4.640 0.083 0.000 0.201 165 D C 1.826 178.157 176.300 0.052 0.000 0.980 165 D CA 3.400 57.435 54.000 0.059 0.000 0.842 165 D CB -0.429 40.402 40.800 0.051 0.000 0.948 165 D HN 0.643 9.029 8.370 0.027 0.000 0.472 166 S N -0.908 114.813 115.700 0.036 0.000 2.356 166 S HA -0.259 4.231 4.470 0.034 0.000 0.223 166 S C 1.825 176.443 174.600 0.030 0.000 1.032 166 S CA 3.181 61.399 58.200 0.030 0.000 1.005 166 S CB -0.529 62.682 63.200 0.019 0.000 0.867 166 S HN -0.034 8.281 8.310 0.028 0.012 0.449 167 S N 1.666 117.382 115.700 0.026 0.000 2.382 167 S HA -0.207 4.268 4.470 0.008 0.000 0.228 167 S C 2.281 176.898 174.600 0.028 0.000 1.027 167 S CA 3.015 61.225 58.200 0.018 0.000 0.991 167 S CB -0.993 62.215 63.200 0.012 0.000 0.823 167 S HN 0.001 8.325 8.310 0.025 0.000 0.469 168 c N 3.705 122.341 118.600 0.060 0.000 2.462 168 c HA -0.262 4.375 4.570 0.111 0.000 0.278 168 c C 1.877 176.046 174.090 0.132 0.000 1.253 168 c CA 2.751 59.145 56.329 0.107 0.000 1.713 168 c CB -1.766 40.817 42.510 0.122 0.000 2.049 168 c HN -0.091 8.159 8.230 0.059 0.016 0.477 169 K N -1.144 119.320 120.400 0.106 0.000 2.148 169 K HA -0.303 4.112 4.320 0.158 0.000 0.204 169 K C 2.330 178.978 176.600 0.080 0.000 1.050 169 K CA 2.970 59.324 56.287 0.112 0.000 0.942 169 K CB -0.308 32.243 32.500 0.084 0.000 0.724 169 K HN 0.068 8.371 8.250 0.087 0.000 0.446 170 S N -1.284 114.441 115.700 0.042 0.000 2.406 170 S HA -0.189 4.293 4.470 0.020 0.000 0.228 170 S C 1.348 175.928 174.600 -0.033 0.000 1.020 170 S CA 2.427 60.633 58.200 0.010 0.000 0.965 170 S CB -0.230 62.971 63.200 0.002 0.000 0.798 170 S HN -0.405 7.912 8.310 0.042 0.018 0.488 171 A N -0.420 122.351 122.820 -0.081 0.000 1.970 171 A HA -0.071 4.108 4.320 -0.235 0.000 0.216 171 A C -0.585 176.752 177.584 -0.411 0.000 1.170 171 A CA 1.735 53.602 52.037 -0.284 0.000 0.645 171 A CB 0.919 19.668 19.000 -0.419 0.000 0.816 171 A HN -0.617 7.396 8.150 -0.033 0.117 0.447 172 Y N -5.574 114.763 120.300 0.061 0.000 2.511 172 Y HA 0.447 5.068 4.550 0.119 0.000 0.356 172 Y C -2.467 173.494 175.900 0.102 0.000 1.002 172 Y CA -3.602 54.567 58.100 0.115 0.000 1.127 172 Y CB -0.042 38.530 38.460 0.187 0.000 1.137 172 Y HN -0.554 7.695 8.280 0.097 0.089 0.652 173 P HA -0.094 4.508 4.420 0.110 -0.116 0.265 173 P C 0.903 178.278 177.300 0.124 0.000 1.193 173 P CA 1.032 64.202 63.100 0.117 0.000 0.765 173 P CB 0.221 31.962 31.700 0.068 0.000 0.823 174 G N 3.065 111.925 108.800 0.100 0.000 2.175 174 G HA2 -0.375 3.622 3.960 0.061 0.000 0.265 174 G HA3 -0.375 3.620 3.960 0.058 0.000 0.265 174 G C 0.100 175.051 174.900 0.084 0.000 0.979 174 G CA 0.904 46.049 45.100 0.075 0.000 0.663 174 G HN 0.505 8.850 8.290 0.092 0.000 0.533 175 Q N -2.550 117.337 119.800 0.144 0.000 2.245 175 Q HA 0.096 4.468 4.340 0.054 0.000 0.236 175 Q C -0.409 175.717 176.000 0.210 0.000 0.842 175 Q CA -0.318 55.572 55.803 0.145 0.000 0.945 175 Q CB 1.674 30.529 28.738 0.197 0.000 1.122 175 Q HN -0.357 7.961 8.270 0.189 0.065 0.506 176 I N 0.819 121.511 120.570 0.204 0.000 2.342 176 I HA 0.137 4.446 4.170 0.231 0.000 0.291 176 I C -0.034 176.159 176.117 0.127 0.000 1.010 176 I CA -2.489 58.922 61.300 0.185 0.000 1.308 176 I CB -0.895 37.205 38.000 0.167 0.000 1.400 176 I HN -0.523 7.800 8.210 0.187 0.000 0.488 177 T N 3.704 118.330 114.554 0.120 0.000 2.910 177 T HA 0.314 4.706 4.350 0.070 0.000 0.279 177 T C 0.763 175.515 174.700 0.087 0.000 0.989 177 T CA -1.871 60.279 62.100 0.084 0.000 0.968 177 T CB 1.954 70.865 68.868 0.071 0.000 1.135 177 T HN -0.319 8.007 8.240 0.144 0.000 0.562 178 S N -2.278 113.460 115.700 0.063 0.000 2.547 178 S HA -0.217 4.292 4.470 0.066 0.000 0.235 178 S C 0.132 174.775 174.600 0.073 0.000 0.980 178 S CA 2.152 60.386 58.200 0.057 0.000 0.941 178 S CB -0.275 62.939 63.200 0.024 0.000 0.763 178 S HN 0.259 8.598 8.310 0.048 0.000 0.532 179 N N -0.236 118.521 118.700 0.094 0.000 2.251 179 N HA 0.176 4.991 4.740 0.124 0.000 0.217 179 N C -1.651 173.978 175.510 0.199 0.000 1.124 179 N CA -0.454 52.685 53.050 0.149 0.000 0.843 179 N CB 0.887 39.481 38.487 0.178 0.000 1.024 179 N HN -0.671 7.682 8.380 0.091 0.081 0.501 180 M N -0.996 118.707 119.600 0.171 0.000 2.550 180 M HA 0.790 5.543 4.480 0.088 -0.221 0.292 180 M C -2.224 174.193 176.300 0.195 0.000 1.221 180 M CA -0.314 55.064 55.300 0.129 0.000 0.873 180 M CB 5.033 37.688 32.600 0.092 0.000 1.727 180 M HN -0.757 7.537 8.290 0.154 0.088 0.459 181 F N -5.299 114.695 119.950 0.073 0.000 2.626 181 F HA 0.607 5.162 4.527 0.047 0.000 0.311 181 F C -2.824 173.025 175.800 0.082 0.000 1.088 181 F CA -2.239 55.799 58.000 0.064 0.000 0.949 181 F CB 2.411 41.446 39.000 0.057 0.000 1.322 181 F HN 0.331 8.502 8.300 -0.216 0.000 0.461 182 c N -0.139 118.641 118.600 0.300 0.000 2.391 182 c HA 0.954 5.773 4.570 0.095 -0.193 0.339 182 c C -1.107 173.185 174.090 0.337 0.000 1.205 182 c CA -0.929 55.523 56.329 0.204 0.000 1.937 182 c CB 2.637 45.227 42.510 0.133 0.000 2.341 182 c HN 0.931 9.364 8.230 0.338 0.000 0.516 183 A N 3.061 126.053 122.820 0.287 0.000 2.530 183 A HA 0.611 5.109 4.320 0.079 -0.130 0.279 183 A C -2.324 175.297 177.584 0.063 0.000 1.109 183 A CA -0.285 51.834 52.037 0.137 0.000 0.763 183 A CB 2.581 21.591 19.000 0.016 0.000 1.257 183 A HN 0.412 8.755 8.150 0.323 0.000 0.424 184 Y N 2.745 123.077 120.300 0.054 0.000 2.365 184 Y HA 0.040 4.609 4.550 0.032 0.000 0.340 184 Y C 0.991 176.906 175.900 0.026 0.000 1.016 184 Y CA -0.176 57.946 58.100 0.035 0.000 1.196 184 Y CB 0.492 38.971 38.460 0.031 0.000 1.167 184 Y HN 0.426 8.805 8.280 0.165 0.000 0.509 185 L N 4.239 125.531 121.223 0.115 0.000 2.275 185 L HA -0.363 4.002 4.340 0.042 0.000 0.215 185 L C 1.032 177.943 176.870 0.069 0.000 1.119 185 L CA 2.460 57.337 54.840 0.061 0.000 0.790 185 L CB -0.450 41.627 42.059 0.030 0.000 0.919 185 L HN 0.568 8.854 8.230 0.093 0.000 0.443 186 E N -2.059 118.203 120.200 0.104 0.000 2.274 186 E HA -0.138 4.239 4.350 0.046 0.000 0.194 186 E C 0.694 177.332 176.600 0.063 0.000 0.996 186 E CA 0.388 56.830 56.400 0.070 0.000 0.840 186 E CB -0.281 29.457 29.700 0.063 0.000 0.772 186 E HN 0.060 8.460 8.360 0.153 0.051 0.491 187 G N 0.843 109.703 108.800 0.100 0.000 3.439 187 G HA2 -0.368 3.652 3.960 0.100 0.000 0.684 187 G HA3 -0.368 3.662 3.960 0.052 -0.039 0.684 187 G C -0.805 174.125 174.900 0.050 0.000 1.005 187 G CA -0.253 44.894 45.100 0.078 0.000 0.837 187 G HN -0.482 7.739 8.290 0.156 0.163 0.470 188 K N 1.544 121.969 120.400 0.041 0.000 7.219 188 K HA -0.602 3.991 4.320 0.051 -0.242 0.683 188 K C -1.398 175.316 176.600 0.190 0.000 2.548 188 K CA 0.595 56.934 56.287 0.087 0.000 1.868 188 K CB -0.014 32.491 32.500 0.007 0.000 1.932 188 K HN 0.293 8.591 8.250 0.081 0.000 0.297 189 D N 0.494 120.981 120.400 0.145 0.000 2.764 189 D HA 0.257 5.015 4.640 0.195 0.000 0.293 189 D C -1.782 174.589 176.300 0.118 0.000 1.287 189 D CA -0.572 53.519 54.000 0.151 0.000 0.768 189 D CB 3.719 44.590 40.800 0.118 0.000 1.288 189 D HN 0.166 8.599 8.370 0.104 0.000 0.426 190 S N -1.473 114.308 115.700 0.136 0.000 2.686 190 S HA 0.239 4.763 4.470 0.089 0.000 0.270 190 S C -1.441 173.204 174.600 0.075 0.000 1.194 190 S CA -0.165 58.104 58.200 0.114 0.000 0.990 190 S CB 1.577 64.879 63.200 0.170 0.000 1.029 190 S HN 0.273 8.682 8.310 0.165 0.000 0.560 191 c N -1.947 116.699 118.600 0.076 0.000 3.276 191 c HA 0.261 4.873 4.570 0.069 0.000 0.370 191 c C -1.519 172.644 174.090 0.122 0.000 1.624 191 c CA -0.552 55.822 56.329 0.075 0.000 1.179 191 c CB 3.195 45.726 42.510 0.035 0.000 1.909 191 c HN 0.325 8.888 8.230 0.090 -0.279 0.434 192 Q N 1.899 121.782 119.800 0.140 0.000 2.263 192 Q HA -0.264 4.203 4.340 0.211 0.000 0.289 192 Q C 0.591 176.781 176.000 0.316 0.000 1.061 192 Q CA 2.089 58.023 55.803 0.219 0.000 0.927 192 Q CB 0.452 29.326 28.738 0.226 0.000 1.154 192 Q HN 0.571 8.905 8.270 0.107 0.000 0.378 193 G N 6.843 115.836 108.800 0.321 0.000 2.238 193 G HA2 -0.385 3.781 3.960 0.344 0.000 0.217 193 G HA3 -0.385 3.898 3.960 0.539 0.000 0.217 193 G C 0.496 175.626 174.900 0.384 0.000 0.996 193 G CA 0.865 46.208 45.100 0.406 0.000 0.632 193 G HN 0.806 9.260 8.290 0.273 0.000 0.503 194 D N 1.117 121.677 120.400 0.267 0.000 2.346 194 D HA 0.117 4.902 4.640 0.241 0.000 0.206 194 D C 0.066 176.470 176.300 0.174 0.000 1.001 194 D CA 0.780 54.906 54.000 0.210 0.000 0.871 194 D CB 0.710 41.598 40.800 0.146 0.000 0.943 194 D HN 0.190 8.615 8.370 0.237 0.086 0.518 195 S N -0.537 115.264 115.700 0.169 0.000 2.573 195 S HA -0.567 4.140 4.470 0.156 -0.143 0.297 195 S C 0.924 175.544 174.600 0.034 0.000 1.280 195 S CA 2.689 60.969 58.200 0.132 0.000 1.061 195 S CB 0.160 63.467 63.200 0.179 0.000 0.812 195 S HN -0.373 8.016 8.310 0.198 0.040 0.500 196 G N 4.495 113.308 108.800 0.023 0.000 2.241 196 G HA2 -0.446 3.584 3.960 -0.013 0.000 0.244 196 G HA3 -0.446 3.604 3.960 -0.051 -0.121 0.244 196 G C -0.198 174.743 174.900 0.067 0.000 0.998 196 G CA 0.103 45.202 45.100 -0.001 0.000 0.621 196 G HN 0.845 9.070 8.290 0.066 0.105 0.519 197 G N 1.007 109.870 108.800 0.106 0.000 2.621 197 G HA2 0.331 4.438 3.960 0.132 0.000 0.271 197 G HA3 0.331 4.368 3.960 0.128 0.000 0.271 197 G C -2.657 172.329 174.900 0.144 0.000 1.236 197 G CA -1.825 43.353 45.100 0.130 0.000 0.958 197 G HN -0.349 7.918 8.290 0.111 0.091 0.512 198 P HA 0.395 5.023 4.420 0.133 -0.128 0.284 198 P C -1.641 175.727 177.300 0.113 0.000 1.258 198 P CA -1.071 62.121 63.100 0.155 0.000 0.824 198 P CB 1.864 33.715 31.700 0.251 0.000 1.038 199 V N 2.006 121.965 119.914 0.074 0.000 2.419 199 V HA 0.294 4.574 4.120 -0.011 -0.167 0.287 199 V C -1.306 174.800 176.094 0.020 0.000 1.017 199 V CA -0.453 61.854 62.300 0.011 0.000 0.844 199 V CB 1.803 33.601 31.823 -0.041 0.000 1.011 199 V HN -0.195 8.044 8.190 0.082 0.000 0.429 200 V N 8.011 127.927 119.914 0.004 0.000 2.459 200 V HA 0.627 4.897 4.120 -0.071 -0.192 0.295 200 V C -1.414 174.662 176.094 -0.030 0.000 1.029 200 V CA -1.279 60.994 62.300 -0.046 0.000 0.874 200 V CB 3.074 34.845 31.823 -0.085 0.000 0.985 200 V HN 0.553 8.760 8.190 0.028 0.000 0.438 201 c N 8.161 126.732 118.600 -0.049 0.000 2.397 201 c HA 0.587 5.136 4.570 -0.035 0.000 0.325 201 c C -0.002 174.059 174.090 -0.048 0.000 1.201 201 c CA -0.932 55.367 56.329 -0.050 0.000 1.377 201 c CB 1.120 43.581 42.510 -0.081 0.000 2.038 201 c HN 0.585 8.779 8.230 -0.061 0.000 0.457 202 S N 4.762 120.443 115.700 -0.032 0.000 3.631 202 S HA -0.360 4.101 4.470 -0.015 0.000 0.366 202 S C 0.375 174.957 174.600 -0.030 0.000 0.993 202 S CA 0.951 59.136 58.200 -0.026 0.000 1.167 202 S CB -1.404 61.777 63.200 -0.032 0.000 0.909 202 S HN 0.794 9.091 8.310 -0.022 0.000 0.478 203 G N -5.044 103.736 108.800 -0.033 0.000 2.155 203 G HA2 -0.508 3.422 3.960 -0.050 0.000 0.257 203 G HA3 -0.508 3.434 3.960 -0.030 0.000 0.257 203 G C -1.117 173.733 174.900 -0.082 0.000 0.983 203 G CA 0.407 45.478 45.100 -0.048 0.000 0.676 203 G HN 0.306 8.574 8.290 -0.025 0.008 0.528 210 Q N 1.163 120.988 119.800 0.042 0.000 2.392 210 Q HA 0.201 4.588 4.340 0.079 0.000 0.219 210 Q C -0.205 175.976 176.000 0.301 0.000 0.895 210 Q CA 0.214 56.073 55.803 0.093 0.000 0.929 210 Q CB 2.747 31.466 28.738 -0.032 0.000 1.077 210 Q HN 0.400 8.684 8.270 0.023 0.000 0.532 211 G N -3.111 105.866 108.800 0.295 0.000 2.725 211 G HA2 0.642 5.054 3.960 0.371 0.000 0.288 211 G HA3 0.642 4.817 3.960 0.359 0.000 0.288 211 G C -3.213 171.796 174.900 0.182 0.000 1.399 211 G CA -0.759 44.535 45.100 0.323 0.000 0.859 211 G HN -0.314 8.085 8.290 0.181 0.000 0.479 212 I N -1.321 119.349 120.570 0.166 0.000 2.466 212 I HA 0.593 5.093 4.170 0.154 -0.238 0.289 212 I C -0.426 175.812 176.117 0.203 0.000 1.026 212 I CA -1.418 59.973 61.300 0.152 0.000 1.078 212 I CB 4.121 42.173 38.000 0.088 0.000 1.249 212 I HN -0.346 7.945 8.210 0.135 0.000 0.429 213 V N 7.503 127.559 119.914 0.236 0.000 2.509 213 V HA -0.246 3.913 4.120 0.066 0.000 0.297 213 V C -1.090 175.026 176.094 0.037 0.000 1.014 213 V CA 2.126 64.514 62.300 0.146 0.000 1.127 213 V CB -1.071 30.862 31.823 0.183 0.000 0.925 213 V HN 0.394 8.709 8.190 0.209 0.000 0.480 214 S N 8.181 123.800 115.700 -0.135 0.000 3.066 214 S HA 0.346 5.001 4.470 0.308 0.000 0.235 214 S C -1.137 173.545 174.600 0.137 0.000 0.995 214 S CA 0.312 58.570 58.200 0.096 0.000 0.835 214 S CB 1.973 65.214 63.200 0.068 0.000 0.814 214 S HN -0.027 7.985 8.310 -0.497 0.000 0.594 215 W N -3.438 117.691 121.300 -0.285 0.000 2.923 215 W HA 0.301 4.842 4.660 -0.199 0.000 0.373 215 W C -2.961 173.386 176.519 -0.288 0.000 1.205 215 W CA -0.911 56.275 57.345 -0.264 0.000 1.180 215 W CB 1.960 31.252 29.460 -0.279 0.000 1.477 215 W HN 0.027 7.902 8.180 -0.508 0.000 0.581 216 G N -3.257 105.620 108.800 0.127 0.000 2.451 216 G HA2 0.106 3.846 3.960 -0.366 0.000 0.292 216 G HA3 0.106 4.032 3.960 -0.057 0.000 0.292 216 G C -2.146 172.900 174.900 0.244 0.000 1.427 216 G CA 0.268 45.354 45.100 -0.022 0.000 0.792 216 G HN -0.052 8.462 8.290 0.373 0.000 0.498 220 c N 1.995 120.635 118.600 0.067 0.000 3.471 220 c HA 0.326 5.088 4.570 0.066 -0.153 0.191 220 c C -1.567 172.556 174.090 0.055 0.000 1.480 220 c CA -0.839 55.525 56.329 0.059 0.000 1.281 220 c CB -1.007 41.530 42.510 0.045 0.000 1.898 220 c HN 0.322 8.588 8.230 0.059 0.000 0.533 221 Q N -1.392 118.442 119.800 0.056 0.000 2.920 221 Q HA 0.114 4.474 4.340 0.035 0.000 0.255 221 Q C -1.431 174.590 176.000 0.034 0.000 0.976 221 Q CA -0.524 55.304 55.803 0.041 0.000 0.862 221 Q CB 2.329 31.092 28.738 0.043 0.000 1.952 221 Q HN 0.291 8.600 8.270 0.065 0.000 0.489 222 K N 3.775 124.188 120.400 0.022 0.000 2.448 222 K HA -0.267 4.189 4.320 0.028 -0.119 0.278 222 K C 0.291 176.885 176.600 -0.010 0.000 1.009 222 K CA 1.044 57.340 56.287 0.015 0.000 0.995 222 K CB 0.043 32.549 32.500 0.010 0.000 0.917 222 K HN 0.272 8.534 8.250 0.020 0.000 0.481 223 N N 2.670 121.359 118.700 -0.019 0.000 2.708 223 N HA -0.471 4.236 4.740 -0.056 0.000 0.251 223 N C -1.683 173.736 175.510 -0.152 0.000 1.123 223 N CA 1.776 54.785 53.050 -0.069 0.000 0.739 223 N CB -0.462 37.981 38.487 -0.073 0.000 1.113 223 N HN 0.817 9.083 8.380 0.004 0.117 0.561 224 K N -2.402 117.940 120.400 -0.097 0.000 2.842 224 K HA 0.546 4.601 4.320 -0.441 0.000 0.176 224 K C -2.407 174.232 176.600 0.064 0.000 1.080 224 K CA -3.519 52.698 56.287 -0.118 0.000 0.954 224 K CB -0.084 32.421 32.500 0.009 0.000 1.203 224 K HN -0.727 7.452 8.250 -0.028 0.054 0.611 225 P HA -0.047 4.431 4.420 0.097 0.000 0.273 225 P C -0.565 176.786 177.300 0.084 0.000 1.250 225 P CA -0.399 62.763 63.100 0.103 0.000 0.793 225 P CB 1.159 32.907 31.700 0.080 0.000 1.011 226 G N -2.352 106.466 108.800 0.030 0.000 2.539 226 G HA2 0.312 4.082 3.960 -0.317 0.000 0.258 226 G HA3 0.312 4.202 3.960 -0.217 -0.060 0.258 226 G C -1.803 172.807 174.900 -0.483 0.000 1.202 226 G CA -0.643 44.307 45.100 -0.250 0.000 0.851 226 G HN -0.378 7.985 8.290 0.122 0.000 0.556 227 V N 1.170 120.468 119.914 -1.027 0.000 2.555 227 V HA 0.688 4.608 4.120 -0.620 -0.172 0.302 227 V C -1.031 174.327 176.094 -1.226 0.000 1.038 227 V CA -1.090 60.570 62.300 -1.068 0.000 0.887 227 V CB 2.643 33.393 31.823 -1.788 0.000 0.991 227 V HN 0.294 7.822 8.190 -1.104 0.000 0.434 228 Y N 4.380 124.281 120.300 -0.664 0.000 2.499 228 Y HA 0.575 5.032 4.550 -0.383 -0.137 0.347 228 Y C 0.217 175.820 175.900 -0.496 0.000 0.987 228 Y CA -2.223 55.489 58.100 -0.647 0.000 1.044 228 Y CB 3.967 41.767 38.460 -1.101 0.000 1.245 228 Y HN 1.090 9.019 8.280 -0.585 0.000 0.461 229 T N 4.955 119.456 114.554 -0.088 0.000 2.901 229 T HA 0.023 4.579 4.350 0.079 -0.158 0.301 229 T C -0.672 174.131 174.700 0.172 0.000 1.012 229 T CA 1.546 63.677 62.100 0.051 0.000 1.135 229 T CB 0.508 69.394 68.868 0.032 0.000 0.936 229 T HN 0.417 8.635 8.240 -0.036 0.000 0.539 230 K N 7.806 128.406 120.400 0.333 0.000 2.183 230 K HA 0.130 4.865 4.320 0.693 0.000 0.272 230 K C 1.084 177.942 176.600 0.430 0.000 1.113 230 K CA -0.602 55.971 56.287 0.477 0.000 0.949 230 K CB -0.299 32.438 32.500 0.395 0.000 1.365 230 K HN 0.054 8.392 8.250 0.313 0.100 0.420 231 V N 6.205 126.351 119.914 0.388 0.000 2.469 231 V HA -0.513 3.911 4.120 0.507 0.000 0.251 231 V C 1.362 177.629 176.094 0.288 0.000 1.064 231 V CA 3.816 66.336 62.300 0.367 0.000 1.066 231 V CB -0.319 31.648 31.823 0.239 0.000 0.667 231 V HN 0.262 8.691 8.190 0.398 0.000 0.461 232 c N -3.664 115.041 118.600 0.174 0.000 2.409 232 c HA -0.209 4.411 4.570 0.084 0.000 0.284 232 c C 1.602 175.713 174.090 0.035 0.000 1.354 232 c CA 1.551 57.930 56.329 0.084 0.000 1.787 232 c CB -2.115 40.416 42.510 0.035 0.000 1.900 232 c HN 0.507 8.820 8.230 0.177 0.024 0.520 233 N N 0.813 119.498 118.700 -0.024 0.000 2.467 233 N HA -0.072 4.572 4.740 -0.159 0.000 0.184 233 N C 0.196 175.458 175.510 -0.414 0.000 1.106 233 N CA 0.989 53.883 53.050 -0.260 0.000 0.892 233 N CB -0.158 38.051 38.487 -0.463 0.000 0.969 233 N HN -0.446 7.928 8.380 0.063 0.044 0.454 234 Y N -4.357 116.021 120.300 0.130 0.000 2.531 234 Y HA 0.175 4.878 4.550 0.255 0.000 0.249 234 Y C -0.053 175.995 175.900 0.245 0.000 1.168 234 Y CA -0.731 57.510 58.100 0.235 0.000 1.226 234 Y CB -0.185 38.449 38.460 0.289 0.000 1.177 234 Y HN -0.071 8.126 8.280 0.183 0.193 0.527 235 V N 1.376 121.424 119.914 0.223 0.000 2.332 235 V HA -0.568 3.642 4.120 0.151 0.000 0.248 235 V C 1.547 177.710 176.094 0.115 0.000 1.055 235 V CA 5.006 67.393 62.300 0.145 0.000 1.038 235 V CB -0.409 31.462 31.823 0.079 0.000 0.651 235 V HN -0.817 7.465 8.190 0.153 0.000 0.450 236 S N -0.677 115.094 115.700 0.120 0.000 2.368 236 S HA -0.330 4.164 4.470 0.041 0.000 0.225 236 S C 1.660 176.338 174.600 0.130 0.000 1.030 236 S CA 3.279 61.534 58.200 0.091 0.000 0.999 236 S CB -0.418 62.833 63.200 0.084 0.000 0.844 236 S HN 0.137 8.515 8.310 0.115 0.000 0.459 237 W N 1.802 123.137 121.300 0.058 0.000 2.355 237 W HA -0.268 4.406 4.660 0.024 0.000 0.309 237 W C 1.291 177.816 176.519 0.010 0.000 1.206 237 W CA 3.318 60.700 57.345 0.061 0.000 1.284 237 W CB -0.131 29.437 29.460 0.180 0.000 1.145 237 W HN -0.301 8.115 8.180 0.394 0.000 0.502 238 I N -0.735 119.787 120.570 -0.081 0.000 2.127 238 I HA -0.765 2.899 4.170 -0.843 0.000 0.241 238 I C 1.944 177.808 176.117 -0.422 0.000 1.075 238 I CA 4.540 65.598 61.300 -0.404 0.000 1.334 238 I CB -0.263 37.676 38.000 -0.102 0.000 1.040 238 I HN 0.342 8.720 8.210 0.279 0.000 0.405 239 K N -1.264 119.000 120.400 -0.227 0.000 2.097 239 K HA -0.409 3.756 4.320 -0.259 0.000 0.206 239 K C 2.636 179.089 176.600 -0.245 0.000 1.049 239 K CA 3.721 59.878 56.287 -0.217 0.000 0.933 239 K CB -0.263 32.170 32.500 -0.111 0.000 0.717 239 K HN 0.012 8.194 8.250 -0.114 0.000 0.442 240 Q N -2.145 117.526 119.800 -0.215 0.000 2.123 240 Q HA -0.211 4.043 4.340 -0.143 0.000 0.199 240 Q C 2.351 178.184 176.000 -0.279 0.000 0.966 240 Q CA 2.935 58.627 55.803 -0.185 0.000 0.845 240 Q CB -0.644 28.037 28.738 -0.096 0.000 0.907 240 Q HN -0.038 8.126 8.270 -0.177 0.000 0.439 241 T N 3.296 117.569 114.554 -0.469 0.000 2.737 241 T HA -0.306 3.830 4.350 -0.356 0.000 0.265 241 T C 2.453 176.813 174.700 -0.566 0.000 1.038 241 T CA 4.754 66.527 62.100 -0.544 0.000 1.144 241 T CB -0.200 68.120 68.868 -0.914 0.000 0.866 241 T HN -0.111 7.797 8.240 -0.553 0.000 0.434 242 I N 0.956 121.054 120.570 -0.786 0.000 2.264 242 I HA -0.466 2.848 4.170 -1.428 0.000 0.248 242 I C 1.813 177.714 176.117 -0.360 0.000 1.111 242 I CA 3.738 64.484 61.300 -0.923 0.000 1.382 242 I CB -0.359 37.063 38.000 -0.965 0.000 1.060 242 I HN 0.022 7.769 8.210 -0.772 0.000 0.418 243 A N -1.562 121.100 122.820 -0.264 0.000 2.019 243 A HA -0.197 4.070 4.320 -0.089 0.000 0.219 243 A C 0.769 178.315 177.584 -0.064 0.000 1.164 243 A CA 2.532 54.495 52.037 -0.123 0.000 0.644 243 A CB -0.572 18.362 19.000 -0.109 0.000 0.805 243 A HN -0.221 7.727 8.150 -0.315 0.013 0.449 244 S N -4.673 110.981 115.700 -0.075 0.000 2.578 244 S HA 0.112 4.579 4.470 -0.004 0.000 0.231 244 S C -0.628 173.992 174.600 0.033 0.000 0.994 244 S CA -0.274 57.914 58.200 -0.020 0.000 0.956 244 S CB 0.625 63.802 63.200 -0.037 0.000 0.870 244 S HN -0.471 7.607 8.310 -0.141 0.148 0.494 245 N N 0.000 118.755 118.700 0.092 0.000 1.763 245 N HA 0.000 4.827 4.740 0.145 0.000 0.220 245 N CA 0.000 53.183 53.050 0.221 0.000 0.885 245 N CB 0.000 38.679 38.487 0.320 0.000 1.341 245 N HN 0.000 8.415 8.380 0.058 0.000 0.667