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 1o32_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 4.183 4.170 0.022 0.000 0.288 16 I C 0.000 176.109 176.117 -0.014 0.000 1.063 16 I CA 0.000 61.296 61.300 -0.007 0.000 1.566 16 I CB 0.000 37.961 38.000 -0.065 0.000 1.214 17 V N 5.266 125.182 119.914 0.003 0.000 2.459 17 V HA 0.275 4.518 4.120 -0.018 -0.134 0.295 17 V C 0.415 176.506 176.094 -0.005 0.000 1.029 17 V CA -1.671 60.626 62.300 -0.005 0.000 0.874 17 V CB 1.477 33.304 31.823 0.006 0.000 0.985 17 V HN 0.730 8.934 8.190 0.023 0.000 0.438 18 G N 6.304 115.096 108.800 -0.014 0.000 2.143 18 G HA2 -0.390 3.558 3.960 -0.020 0.000 0.248 18 G HA3 -0.390 3.699 3.960 -0.039 -0.152 0.248 18 G C -0.604 174.296 174.900 -0.000 0.000 0.991 18 G CA 0.451 45.539 45.100 -0.021 0.000 0.689 18 G HN 0.741 9.021 8.290 -0.015 0.000 0.522 19 G N -1.081 107.716 108.800 -0.004 0.000 2.583 19 G HA2 0.492 4.477 3.960 0.043 0.000 0.280 19 G HA3 0.492 4.447 3.960 -0.113 -0.063 0.280 19 G C -1.610 173.320 174.900 0.050 0.000 1.376 19 G CA -1.032 44.057 45.100 -0.018 0.000 1.043 19 G HN -0.697 7.539 8.290 -0.019 0.043 0.538 20 Y N -6.022 114.258 120.300 -0.032 0.000 2.665 20 Y HA 0.394 4.927 4.550 -0.027 0.000 0.336 20 Y C -1.783 174.093 175.900 -0.040 0.000 1.085 20 Y CA -2.851 55.231 58.100 -0.031 0.000 1.096 20 Y CB 1.142 39.586 38.460 -0.026 0.000 1.301 20 Y HN 0.350 8.277 8.280 -0.588 0.000 0.493 21 T N 2.317 116.951 114.554 0.132 0.000 2.779 21 T HA 0.128 4.569 4.350 -0.067 -0.131 0.296 21 T C 0.185 174.936 174.700 0.084 0.000 0.938 21 T CA 0.864 62.984 62.100 0.034 0.000 1.119 21 T CB -0.030 68.876 68.868 0.063 0.000 0.891 21 T HN 0.003 8.371 8.240 0.213 0.000 0.526 22 c N 6.265 124.819 118.600 -0.077 0.000 2.425 22 c HA -0.069 4.556 4.570 0.092 0.000 0.277 22 c C 0.253 174.370 174.090 0.046 0.000 1.280 22 c CA 0.402 56.717 56.329 -0.024 0.000 1.744 22 c CB 0.257 42.673 42.510 -0.156 0.000 1.989 22 c HN 0.000 8.127 8.230 -0.172 0.000 0.491 23 G N -1.530 107.283 108.800 0.021 0.000 3.069 23 G HA2 -0.178 3.803 3.960 0.035 0.000 0.686 23 G HA3 -0.178 3.804 3.960 0.037 0.000 0.686 23 G C -1.737 173.171 174.900 0.012 0.000 1.161 23 G CA -0.747 44.371 45.100 0.029 0.000 0.804 23 G HN -0.327 7.963 8.290 -0.000 0.000 0.608 24 A N 4.052 126.886 122.820 0.024 0.000 2.565 24 A HA -0.247 4.280 4.320 0.040 -0.183 0.237 24 A C -0.259 177.334 177.584 0.015 0.000 1.053 24 A CA 1.018 53.072 52.037 0.029 0.000 0.755 24 A CB 0.104 19.126 19.000 0.036 0.000 0.980 24 A HN 0.315 8.483 8.150 0.029 0.000 0.506 25 N N -2.997 115.711 118.700 0.013 0.000 2.693 25 N HA -0.381 4.353 4.740 -0.009 0.000 0.249 25 N C 0.547 176.042 175.510 -0.026 0.000 1.119 25 N CA 1.753 54.800 53.050 -0.004 0.000 0.717 25 N CB -1.269 37.224 38.487 0.011 0.000 1.071 25 N HN 0.577 8.975 8.380 0.030 0.000 0.555 26 T N -3.567 110.963 114.554 -0.039 0.000 3.081 26 T HA 0.008 4.352 4.350 -0.010 0.000 0.255 26 T C 0.077 174.726 174.700 -0.084 0.000 1.113 26 T CA 2.149 64.230 62.100 -0.032 0.000 1.082 26 T CB 0.460 69.324 68.868 -0.007 0.000 0.939 26 T HN -0.489 7.693 8.240 -0.042 0.033 0.506 27 V N 2.566 122.372 119.914 -0.180 0.000 2.260 27 V HA 0.399 4.273 4.120 -0.410 0.000 0.263 27 V C -1.486 174.321 176.094 -0.479 0.000 1.036 27 V CA -3.384 58.661 62.300 -0.425 0.000 0.874 27 V CB 0.415 31.962 31.823 -0.460 0.000 1.116 27 V HN -0.460 7.587 8.190 -0.149 0.053 0.454 28 P HA 0.073 4.559 4.420 -0.076 -0.112 0.230 28 P C -0.069 177.194 177.300 -0.062 0.000 1.158 28 P CA 1.524 64.560 63.100 -0.107 0.000 0.769 28 P CB 0.122 31.828 31.700 0.010 0.000 0.807 29 Y N -6.165 114.161 120.300 0.043 0.000 2.457 29 Y HA 0.501 5.200 4.550 0.057 -0.114 0.263 29 Y C -0.628 175.309 175.900 0.061 0.000 1.164 29 Y CA -3.426 54.705 58.100 0.051 0.000 1.274 29 Y CB -1.204 37.282 38.460 0.043 0.000 1.097 29 Y HN -0.426 7.245 8.280 -0.913 0.061 0.523 30 Q N 2.969 122.644 119.800 -0.208 0.000 2.304 30 Q HA 0.229 4.754 4.340 0.086 -0.133 0.260 30 Q C -0.339 175.747 176.000 0.143 0.000 0.965 30 Q CA 0.061 55.849 55.803 -0.025 0.000 0.898 30 Q CB 1.160 29.778 28.738 -0.200 0.000 1.196 30 Q HN -0.628 7.306 8.270 -0.468 0.056 0.402 31 V N 0.936 120.969 119.914 0.197 0.000 3.046 31 V HA 0.874 5.231 4.120 0.185 -0.127 0.316 31 V C -1.786 174.458 176.094 0.249 0.000 1.104 31 V CA -3.104 59.306 62.300 0.183 0.000 1.006 31 V CB 3.823 35.706 31.823 0.099 0.000 1.058 31 V HN 0.329 8.630 8.190 0.186 0.000 0.440 32 S N -0.212 115.543 115.700 0.091 0.000 2.503 32 S HA 0.446 5.167 4.470 0.252 -0.100 0.301 32 S C -1.167 173.332 174.600 -0.168 0.000 1.087 32 S CA -1.961 56.246 58.200 0.012 0.000 1.042 32 S CB 2.151 65.142 63.200 -0.348 0.000 1.043 32 S HN -0.138 8.180 8.310 0.014 0.000 0.489 33 L N 5.471 126.455 121.223 -0.398 0.000 2.296 33 L HA 0.565 4.811 4.340 -0.356 -0.120 0.286 33 L C -1.723 174.702 176.870 -0.743 0.000 1.023 33 L CA -0.974 53.496 54.840 -0.616 0.000 0.812 33 L CB 1.593 43.073 42.059 -0.965 0.000 1.223 33 L HN 0.658 8.605 8.230 -0.472 0.000 0.421 38 G N 0.573 109.298 108.800 -0.124 0.000 2.179 38 G HA2 -0.329 3.628 3.960 -0.004 0.000 0.220 38 G HA3 -0.329 3.710 3.960 0.131 0.000 0.220 38 G C -1.881 173.122 174.900 0.172 0.000 0.990 38 G CA 0.180 45.309 45.100 0.047 0.000 0.646 38 G HN 0.268 8.741 8.290 -0.170 -0.285 0.517 39 Y N -7.320 112.962 120.300 -0.031 0.000 2.702 39 Y HA 0.211 4.730 4.550 -0.051 0.000 0.336 39 Y C -2.567 173.338 175.900 0.008 0.000 1.203 39 Y CA -3.524 54.560 58.100 -0.027 0.000 1.072 39 Y CB 0.757 39.199 38.460 -0.030 0.000 1.327 39 Y HN -1.245 6.843 8.280 -0.362 -0.025 0.456 40 H N 2.251 121.269 119.070 -0.086 0.000 2.646 40 H HA 0.109 4.620 4.556 -0.337 -0.158 0.325 40 H C -0.461 174.828 175.328 -0.064 0.000 1.075 40 H CA -0.574 55.352 56.048 -0.204 0.000 1.421 40 H CB 0.634 30.270 29.762 -0.209 0.000 1.461 40 H HN 0.278 8.662 8.280 0.174 0.000 0.525 41 F N 2.133 121.609 119.950 -0.790 0.000 2.819 41 F HA 0.321 4.710 4.527 -0.230 0.000 0.325 41 F C -1.490 174.034 175.800 -0.461 0.000 1.041 41 F CA -0.550 57.175 58.000 -0.457 0.000 1.184 41 F CB 1.696 40.490 39.000 -0.344 0.000 1.019 41 F HN -0.100 7.469 8.300 -1.218 0.000 0.590 42 c N -1.746 116.184 118.600 -1.116 0.000 3.321 42 c HA 0.279 4.726 4.570 -0.205 0.000 0.329 42 c C -1.782 172.126 174.090 -0.303 0.000 1.394 42 c CA -0.109 55.917 56.329 -0.506 0.000 1.291 42 c CB 4.099 46.385 42.510 -0.373 0.000 1.606 42 c HN -0.846 6.419 8.230 -1.608 0.000 0.463 43 G N -1.151 107.644 108.800 -0.009 0.000 2.705 43 G HA2 0.816 5.057 3.960 0.233 0.000 0.299 43 G HA3 0.816 4.901 3.960 0.208 0.000 0.299 43 G C -2.582 172.348 174.900 0.049 0.000 1.315 43 G CA -1.691 43.493 45.100 0.140 0.000 1.045 43 G HN 0.834 9.123 8.290 -0.001 0.000 0.517 44 G N -4.111 104.748 108.800 0.098 0.000 2.506 44 G HA2 0.495 4.779 3.960 0.072 0.000 0.292 44 G HA3 0.495 4.488 3.960 0.055 0.000 0.292 44 G C -2.883 172.099 174.900 0.137 0.000 1.425 44 G CA 0.347 45.497 45.100 0.084 0.000 0.788 44 G HN -0.624 7.756 8.290 0.150 0.000 0.490 45 S N -0.241 115.546 115.700 0.144 0.000 2.500 45 S HA 0.816 5.643 4.470 0.266 -0.197 0.301 45 S C -1.162 173.540 174.600 0.169 0.000 1.092 45 S CA -0.984 57.332 58.200 0.194 0.000 1.030 45 S CB 3.468 66.764 63.200 0.161 0.000 1.031 45 S HN 0.514 8.895 8.310 0.119 0.000 0.483 46 L N 6.046 127.385 121.223 0.195 0.000 2.319 46 L HA 0.160 4.587 4.340 0.146 0.000 0.280 46 L C -0.800 176.154 176.870 0.141 0.000 1.099 46 L CA -0.132 54.804 54.840 0.158 0.000 0.828 46 L CB 1.169 43.320 42.059 0.155 0.000 1.150 46 L HN 0.313 8.698 8.230 0.258 0.000 0.442 47 I N -0.100 120.550 120.570 0.133 0.000 4.187 47 I HA 0.509 4.867 4.170 0.067 -0.147 0.326 47 I C -0.878 175.300 176.117 0.102 0.000 1.302 47 I CA -0.563 60.793 61.300 0.095 0.000 1.196 47 I CB 1.220 39.266 38.000 0.076 0.000 1.095 47 I HN 0.251 8.558 8.210 0.161 0.000 0.411 48 N N -2.242 116.543 118.700 0.141 0.000 3.020 48 N HA 0.193 4.991 4.740 0.097 0.000 0.248 48 N C -0.439 175.149 175.510 0.130 0.000 1.480 48 N CA -0.740 52.389 53.050 0.132 0.000 0.874 48 N CB 0.999 39.581 38.487 0.158 0.000 1.433 48 N HN -0.907 7.574 8.380 0.167 0.000 0.530 49 S N -3.259 112.502 115.700 0.102 0.000 2.507 49 S HA -0.337 4.172 4.470 0.066 0.000 0.235 49 S C 0.856 175.483 174.600 0.045 0.000 0.988 49 S CA 2.801 61.043 58.200 0.069 0.000 0.944 49 S CB -0.136 63.093 63.200 0.050 0.000 0.762 49 S HN 0.409 8.776 8.310 0.095 0.000 0.526 50 Q N -0.469 119.364 119.800 0.055 0.000 2.149 50 Q HA 0.319 4.591 4.340 -0.113 0.000 0.221 50 Q C -2.111 173.747 176.000 -0.236 0.000 0.807 50 Q CA -0.532 55.204 55.803 -0.112 0.000 1.000 50 Q CB 2.563 31.197 28.738 -0.174 0.000 1.157 50 Q HN 0.100 8.745 8.270 0.147 -0.287 0.487 51 W N -1.986 119.320 121.300 0.010 0.000 2.915 51 W HA 0.552 5.392 4.660 0.006 -0.176 0.337 51 W C -1.582 174.950 176.519 0.021 0.000 1.102 51 W CA -0.982 56.367 57.345 0.008 0.000 1.224 51 W CB 3.912 33.367 29.460 -0.008 0.000 1.416 51 W HN -0.199 8.242 8.180 0.235 -0.121 0.503 52 V N 1.617 121.691 119.914 0.266 0.000 2.823 52 V HA 0.798 5.191 4.120 0.168 -0.173 0.312 52 V C -1.511 174.693 176.094 0.185 0.000 1.072 52 V CA -1.791 60.615 62.300 0.177 0.000 0.937 52 V CB 3.839 35.725 31.823 0.104 0.000 1.013 52 V HN 0.532 8.894 8.190 0.286 0.000 0.430 53 V N 5.739 125.740 119.914 0.144 0.000 2.555 53 V HA 0.710 5.081 4.120 0.150 -0.161 0.302 53 V C -1.354 174.795 176.094 0.093 0.000 1.038 53 V CA -1.277 61.100 62.300 0.128 0.000 0.887 53 V CB 2.380 34.271 31.823 0.114 0.000 0.991 53 V HN 0.592 8.862 8.190 0.133 0.000 0.434 54 S N 4.500 120.241 115.700 0.068 0.000 2.998 54 S HA 0.581 5.274 4.470 0.025 -0.208 0.321 54 S C -1.989 172.594 174.600 -0.028 0.000 1.171 54 S CA -2.634 55.577 58.200 0.018 0.000 0.882 54 S CB 2.409 65.609 63.200 -0.000 0.000 1.301 54 S HN 0.621 8.982 8.310 0.085 0.000 0.629 55 A N -0.891 121.865 122.820 -0.108 0.000 2.312 55 A HA 0.519 4.918 4.320 -0.136 -0.160 0.328 55 A C 0.351 177.789 177.584 -0.244 0.000 1.158 55 A CA -1.855 50.065 52.037 -0.195 0.000 0.821 55 A CB 1.801 20.596 19.000 -0.342 0.000 1.170 55 A HN 0.273 8.347 8.150 -0.126 0.000 0.490 56 A N 4.341 126.961 122.820 -0.333 0.000 1.969 56 A HA -0.214 3.956 4.320 -0.251 0.000 0.218 56 A C 1.211 178.543 177.584 -0.420 0.000 1.169 56 A CA 2.703 54.439 52.037 -0.503 0.000 0.635 56 A CB -0.219 18.100 19.000 -1.135 0.000 0.810 56 A HN 0.548 8.545 8.150 -0.321 -0.040 0.445 57 H N -4.886 114.017 119.070 -0.277 0.000 2.563 57 H HA -0.075 4.505 4.556 0.041 0.000 0.272 57 H C 0.027 175.401 175.328 0.077 0.000 1.005 57 H CA 1.286 57.330 56.048 -0.006 0.000 1.171 57 H CB -1.295 28.531 29.762 0.107 0.000 1.351 57 H HN -0.080 8.315 8.280 -0.259 -0.271 0.602 58 c N -1.380 117.159 118.600 -0.102 0.000 2.791 58 c HA 0.005 4.682 4.570 0.178 0.000 0.270 58 c C -0.963 173.231 174.090 0.172 0.000 1.257 58 c CA 0.098 56.474 56.329 0.078 0.000 1.699 58 c CB -1.263 41.240 42.510 -0.012 0.000 1.904 58 c HN -0.634 7.287 8.230 -0.204 0.186 0.603 59 Y N 2.403 122.712 120.300 0.014 0.000 2.578 59 Y HA -0.185 4.389 4.550 0.040 0.000 0.339 59 Y C -1.509 174.375 175.900 -0.026 0.000 1.231 59 Y CA 1.575 59.682 58.100 0.012 0.000 1.461 59 Y CB 1.043 39.495 38.460 -0.013 0.000 1.323 59 Y HN -0.532 7.776 8.280 0.171 0.074 0.590 60 K N 5.152 124.856 120.400 -1.160 0.000 2.772 60 K HA 0.175 4.115 4.320 -0.633 0.000 0.292 60 K C -2.572 173.515 176.600 -0.854 0.000 1.049 60 K CA -1.045 54.748 56.287 -0.823 0.000 0.846 60 K CB 2.159 34.322 32.500 -0.562 0.000 1.514 60 K HN -0.062 7.289 8.250 -1.499 0.000 0.373 61 S N -0.166 115.256 115.700 -0.463 0.000 2.690 61 S HA 0.144 4.436 4.470 -0.296 0.000 0.291 61 S C 0.991 175.464 174.600 -0.212 0.000 1.138 61 S CA -0.558 57.477 58.200 -0.275 0.000 1.013 61 S CB 1.037 64.164 63.200 -0.122 0.000 1.053 61 S HN -0.023 8.086 8.310 -0.336 0.000 0.539 62 G N -0.200 108.515 108.800 -0.142 0.000 2.341 62 G HA2 -0.366 3.542 3.960 -0.086 0.000 0.278 62 G HA3 -0.366 3.522 3.960 -0.119 0.000 0.278 62 G C -1.901 172.930 174.900 -0.115 0.000 1.111 62 G CA 0.007 45.038 45.100 -0.116 0.000 0.982 62 G HN 0.378 8.598 8.290 -0.116 0.000 0.502 63 I N -1.425 119.092 120.570 -0.089 0.000 2.412 63 I HA 0.240 4.550 4.170 0.014 -0.132 0.296 63 I C -1.769 174.313 176.117 -0.059 0.000 0.987 63 I CA -1.180 60.101 61.300 -0.031 0.000 1.180 63 I CB 1.793 39.798 38.000 0.009 0.000 1.340 63 I HN -0.510 7.645 8.210 -0.092 0.000 0.455 64 Q N 6.274 126.024 119.800 -0.083 0.000 3.184 64 Q HA 0.600 4.988 4.340 -0.080 -0.096 0.236 64 Q C -1.702 174.215 176.000 -0.139 0.000 1.038 64 Q CA -2.041 53.693 55.803 -0.114 0.000 0.857 64 Q CB 4.355 32.990 28.738 -0.172 0.000 1.957 64 Q HN 0.500 8.722 8.270 -0.079 0.000 0.453 65 R N -2.481 117.968 120.500 -0.085 0.000 2.937 65 R HA 0.421 5.018 4.340 0.160 -0.161 0.273 65 R C -1.376 174.965 176.300 0.070 0.000 1.176 65 R CA 0.045 56.143 56.100 -0.004 0.000 1.132 65 R CB 2.451 32.620 30.300 -0.217 0.000 1.270 65 R HN 0.603 8.807 8.270 -0.111 0.000 0.425 70 E N -0.653 119.636 120.200 0.149 0.000 2.319 70 E HA 0.153 4.568 4.350 0.108 0.000 0.268 70 E C -1.476 175.308 176.600 0.307 0.000 1.050 70 E CA 0.350 56.845 56.400 0.159 0.000 0.878 70 E CB 1.485 31.185 29.700 0.001 0.000 1.066 70 E HN -0.539 7.892 8.360 0.170 0.032 0.406 71 D N 1.412 121.968 120.400 0.261 0.000 2.887 71 D HA 0.049 4.949 4.640 0.433 0.000 0.162 71 D C -1.238 175.257 176.300 0.325 0.000 1.495 71 D CA 1.448 55.636 54.000 0.314 0.000 1.531 71 D CB 2.408 43.300 40.800 0.152 0.000 1.459 71 D HN 0.180 8.638 8.370 0.146 0.000 0.256 72 N N 0.850 119.641 118.700 0.151 0.000 2.420 72 N HA 0.262 5.222 4.740 0.151 -0.129 0.249 72 N C 1.835 177.329 175.510 -0.026 0.000 1.033 72 N CA -1.006 52.100 53.050 0.094 0.000 0.944 72 N CB 0.636 39.161 38.487 0.064 0.000 1.113 72 N HN -0.563 7.884 8.380 0.112 0.000 0.502 73 I N 0.682 121.140 120.570 -0.186 0.000 3.291 73 I HA -0.108 4.014 4.170 -0.314 -0.141 0.279 73 I C -0.523 175.501 176.117 -0.155 0.000 1.294 73 I CA 1.381 62.483 61.300 -0.331 0.000 1.428 73 I CB -0.749 36.841 38.000 -0.684 0.000 1.070 73 I HN 0.434 8.543 8.210 -0.168 0.000 0.478 74 N N -1.885 116.773 118.700 -0.069 0.000 2.236 74 N HA 0.120 4.840 4.740 -0.034 0.000 0.196 74 N C -0.536 174.977 175.510 0.006 0.000 1.114 74 N CA 0.756 53.791 53.050 -0.025 0.000 0.859 74 N CB 1.672 40.157 38.487 -0.004 0.000 0.982 74 N HN -0.034 8.584 8.380 -0.048 -0.267 0.493 75 V N 0.044 119.966 119.914 0.013 0.000 2.604 75 V HA 0.033 4.168 4.120 0.026 0.000 0.305 75 V C -1.339 174.775 176.094 0.033 0.000 1.043 75 V CA -1.200 61.114 62.300 0.025 0.000 0.888 75 V CB 2.957 34.794 31.823 0.022 0.000 0.995 75 V HN -0.804 7.451 8.190 0.003 -0.064 0.429 76 V N 6.765 126.696 119.914 0.028 0.000 2.432 76 V HA -0.140 4.188 4.120 0.021 -0.195 0.275 76 V C -0.064 176.026 176.094 -0.008 0.000 1.043 76 V CA 0.390 62.693 62.300 0.006 0.000 0.925 76 V CB 0.383 32.189 31.823 -0.028 0.000 0.985 76 V HN 0.199 8.403 8.190 0.024 0.000 0.466 77 E N 7.137 127.331 120.200 -0.010 0.000 2.606 77 E HA 0.183 4.529 4.350 -0.006 0.000 0.224 77 E C -0.448 176.141 176.600 -0.017 0.000 0.930 77 E CA -0.587 55.809 56.400 -0.006 0.000 1.125 77 E CB 1.169 30.876 29.700 0.011 0.000 1.123 77 E HN 0.281 9.130 8.360 -0.012 -0.496 0.522 78 G N 0.265 109.044 108.800 -0.035 0.000 2.539 78 G HA2 -0.221 3.701 3.960 -0.064 0.000 0.686 78 G HA3 -0.221 3.721 3.960 -0.030 0.000 0.686 78 G C -1.838 173.040 174.900 -0.036 0.000 1.258 78 G CA -0.635 44.439 45.100 -0.043 0.000 0.846 78 G HN -0.351 8.200 8.290 -0.047 -0.290 0.647 79 N N -3.971 114.703 118.700 -0.043 0.000 2.967 79 N HA -0.302 4.422 4.740 -0.027 0.000 0.212 79 N C -0.886 174.603 175.510 -0.035 0.000 0.884 79 N CA 1.396 54.430 53.050 -0.027 0.000 1.030 79 N CB -0.263 38.223 38.487 -0.001 0.000 1.018 79 N HN 0.155 8.503 8.380 -0.053 0.000 0.596 80 E N -1.254 118.901 120.200 -0.074 0.000 2.383 80 E HA 0.219 4.796 4.350 0.006 -0.223 0.264 80 E C -0.050 176.455 176.600 -0.160 0.000 1.050 80 E CA 0.593 56.938 56.400 -0.092 0.000 0.896 80 E CB 0.573 30.155 29.700 -0.197 0.000 0.982 80 E HN -0.199 8.004 8.360 -0.091 0.102 0.424 81 Q N 2.807 122.583 119.800 -0.039 0.000 2.304 81 Q HA 0.329 4.590 4.340 -0.131 0.000 0.270 81 Q C -1.665 174.454 176.000 0.198 0.000 1.035 81 Q CA -1.241 54.548 55.803 -0.023 0.000 0.781 81 Q CB 3.733 32.481 28.738 0.017 0.000 1.261 81 Q HN 0.546 8.768 8.270 0.080 0.096 0.444 82 F N 3.480 123.409 119.950 -0.035 0.000 2.402 82 F HA 0.375 5.054 4.527 -0.049 -0.181 0.355 82 F C -0.117 175.659 175.800 -0.041 0.000 1.123 82 F CA -3.089 54.885 58.000 -0.043 0.000 1.021 82 F CB 0.617 39.590 39.000 -0.045 0.000 1.160 82 F HN 0.318 8.633 8.300 0.024 0.000 0.451 83 I N 4.044 124.694 120.570 0.132 0.000 2.582 83 I HA 0.251 4.451 4.170 0.049 0.000 0.292 83 I C -1.302 174.817 176.117 0.002 0.000 1.066 83 I CA -1.368 59.960 61.300 0.046 0.000 1.053 83 I CB 4.078 42.089 38.000 0.019 0.000 1.241 83 I HN 0.702 8.977 8.210 0.108 0.000 0.421 84 S N 5.477 121.169 115.700 -0.013 0.000 2.592 84 S HA 0.095 4.539 4.470 -0.044 0.000 0.271 84 S C -0.538 174.029 174.600 -0.055 0.000 1.326 84 S CA 0.645 58.823 58.200 -0.037 0.000 1.024 84 S CB 1.050 64.230 63.200 -0.033 0.000 0.921 84 S HN 0.421 8.728 8.310 -0.005 0.000 0.527 85 A N 3.171 125.954 122.820 -0.061 0.000 2.363 85 A HA 0.189 4.556 4.320 -0.094 -0.104 0.270 85 A C -0.153 177.384 177.584 -0.078 0.000 1.121 85 A CA -0.289 51.703 52.037 -0.075 0.000 0.800 85 A CB 0.566 19.532 19.000 -0.056 0.000 1.052 85 A HN -0.177 7.939 8.150 -0.057 0.000 0.493 86 S N 3.867 119.502 115.700 -0.109 0.000 2.387 86 S HA 0.020 4.449 4.470 -0.068 0.000 0.221 86 S C 0.341 174.903 174.600 -0.063 0.000 1.041 86 S CA 1.542 59.686 58.200 -0.093 0.000 0.959 86 S CB 0.787 63.907 63.200 -0.133 0.000 0.843 86 S HN 0.694 8.794 8.310 -0.156 0.116 0.488 87 K N -0.417 119.941 120.400 -0.071 0.000 2.532 87 K HA 0.317 4.658 4.320 0.037 0.000 0.265 87 K C -2.452 174.182 176.600 0.056 0.000 0.948 87 K CA -0.991 55.303 56.287 0.010 0.000 0.842 87 K CB 2.836 35.353 32.500 0.029 0.000 1.392 87 K HN -0.808 7.362 8.250 -0.134 0.000 0.436 88 S N 1.267 117.056 115.700 0.148 0.000 2.502 88 S HA 0.642 5.385 4.470 0.186 -0.161 0.304 88 S C -0.798 173.943 174.600 0.234 0.000 1.097 88 S CA -0.403 57.929 58.200 0.220 0.000 1.045 88 S CB 2.318 65.714 63.200 0.327 0.000 1.019 88 S HN 0.203 8.615 8.310 0.170 0.000 0.481 89 I N 7.787 128.500 120.570 0.239 0.000 2.371 89 I HA 0.090 4.360 4.170 0.167 0.000 0.282 89 I C -1.495 174.766 176.117 0.239 0.000 1.031 89 I CA -0.855 60.577 61.300 0.221 0.000 1.180 89 I CB 1.010 39.150 38.000 0.232 0.000 1.336 89 I HN 1.033 9.292 8.210 0.263 0.109 0.467 90 V N 7.808 127.795 119.914 0.123 0.000 2.649 90 V HA -0.169 3.994 4.120 0.071 0.000 0.292 90 V C -0.305 175.867 176.094 0.129 0.000 1.055 90 V CA -0.515 61.820 62.300 0.059 0.000 1.023 90 V CB 0.902 32.664 31.823 -0.101 0.000 0.992 90 V HN 0.349 8.568 8.190 0.049 0.000 0.480 91 H N 8.668 127.718 119.070 -0.034 0.000 3.001 91 H HA -0.048 4.342 4.556 -0.276 0.000 0.334 91 H C -0.423 174.870 175.328 -0.058 0.000 1.034 91 H CA 0.644 56.553 56.048 -0.232 0.000 1.420 91 H CB 1.487 30.953 29.762 -0.493 0.000 1.405 91 H HN -0.153 8.162 8.280 0.059 0.000 0.593 92 P HA -0.102 4.323 4.420 0.009 0.000 0.218 92 P C -0.439 176.906 177.300 0.074 0.000 1.148 92 P CA 1.496 64.564 63.100 -0.052 0.000 0.822 92 P CB 0.369 32.010 31.700 -0.098 0.000 0.784 93 S N -3.766 112.089 115.700 0.258 0.000 2.582 93 S HA 0.037 4.566 4.470 0.098 0.000 0.234 93 S C -0.574 174.126 174.600 0.167 0.000 0.961 93 S CA 0.023 58.346 58.200 0.206 0.000 0.953 93 S CB 0.404 63.722 63.200 0.197 0.000 0.800 93 S HN -0.375 8.209 8.310 0.506 0.029 0.471 94 Y N 3.654 123.998 120.300 0.073 0.000 2.511 94 Y HA -0.282 4.449 4.550 -0.045 -0.208 0.332 94 Y C -0.898 174.994 175.900 -0.013 0.000 1.177 94 Y CA 0.766 58.863 58.100 -0.004 0.000 1.422 94 Y CB 0.858 39.318 38.460 0.001 0.000 1.271 94 Y HN -0.729 7.572 8.280 0.323 0.173 0.550 95 N N 7.071 125.395 118.700 -0.627 0.000 2.479 95 N HA 0.208 4.677 4.740 -0.451 0.000 0.261 95 N C -0.191 174.791 175.510 -0.879 0.000 0.979 95 N CA -1.267 51.444 53.050 -0.565 0.000 0.930 95 N CB 1.836 40.154 38.487 -0.281 0.000 1.172 95 N HN -0.261 7.847 8.380 -0.454 0.000 0.499 96 S N 6.673 121.884 115.700 -0.815 0.000 2.515 96 S HA -0.047 4.059 4.470 -0.607 0.000 0.231 96 S C 0.646 175.077 174.600 -0.281 0.000 0.987 96 S CA 2.200 60.087 58.200 -0.521 0.000 0.936 96 S CB -0.165 62.900 63.200 -0.225 0.000 0.766 96 S HN 0.616 8.558 8.310 -0.614 0.000 0.528 97 N N 1.878 120.416 118.700 -0.270 0.000 2.402 97 N HA 0.060 4.684 4.740 -0.193 0.000 0.174 97 N C 0.937 176.297 175.510 -0.251 0.000 1.027 97 N CA 2.197 55.119 53.050 -0.213 0.000 0.891 97 N CB 0.671 39.059 38.487 -0.165 0.000 1.016 97 N HN 0.296 8.752 8.380 -0.301 -0.256 0.439 98 T N -4.087 110.315 114.554 -0.253 0.000 3.014 98 T HA 0.081 4.247 4.350 -0.306 0.000 0.250 98 T C 0.028 174.564 174.700 -0.273 0.000 1.060 98 T CA 0.363 62.309 62.100 -0.256 0.000 1.040 98 T CB 1.803 70.572 68.868 -0.166 0.000 0.971 98 T HN -0.529 7.792 8.240 -0.257 -0.235 0.497 99 L N -3.376 117.719 121.223 -0.214 0.000 4.140 99 L HA -0.499 3.974 4.340 0.088 -0.080 0.406 99 L C -1.931 174.988 176.870 0.082 0.000 1.175 99 L CA 0.302 55.130 54.840 -0.020 0.000 0.939 99 L CB -2.580 39.440 42.059 -0.065 0.000 2.105 99 L HN -0.210 7.859 8.230 -0.268 0.000 0.803 100 N N -1.087 117.612 118.700 -0.001 0.000 2.525 100 N HA -0.130 4.666 4.740 0.093 0.000 0.271 100 N C 0.039 175.596 175.510 0.078 0.000 1.194 100 N CA 0.420 53.498 53.050 0.046 0.000 0.964 100 N CB 1.369 39.853 38.487 -0.004 0.000 1.126 100 N HN -0.782 7.502 8.380 -0.100 0.037 0.452 101 N N -1.243 117.491 118.700 0.056 0.000 2.756 101 N HA -0.465 4.177 4.740 -0.164 0.000 0.248 101 N C -1.487 173.998 175.510 -0.042 0.000 1.062 101 N CA 1.355 54.335 53.050 -0.116 0.000 0.696 101 N CB -1.608 36.712 38.487 -0.279 0.000 0.946 101 N HN 0.614 9.051 8.380 0.095 0.000 0.548 102 D N -1.086 119.323 120.400 0.016 0.000 2.608 102 D HA 0.056 4.697 4.640 0.001 0.000 0.224 102 D C -1.707 174.488 176.300 -0.177 0.000 1.123 102 D CA -0.474 53.531 54.000 0.009 0.000 1.030 102 D CB -0.695 40.208 40.800 0.171 0.000 1.093 102 D HN -0.033 8.358 8.370 0.035 0.000 0.497 103 I N 1.529 121.939 120.570 -0.267 0.000 2.802 103 I HA 0.582 4.830 4.170 -0.139 -0.161 0.298 103 I C -3.085 172.994 176.117 -0.063 0.000 1.176 103 I CA -1.679 59.500 61.300 -0.202 0.000 1.025 103 I CB 4.150 41.903 38.000 -0.413 0.000 1.243 103 I HN -0.185 7.824 8.210 -0.271 0.039 0.424 104 M N 6.405 126.036 119.600 0.051 0.000 2.433 104 M HA 0.730 5.533 4.480 0.233 -0.183 0.290 104 M C -2.734 173.692 176.300 0.210 0.000 1.173 104 M CA -1.093 54.298 55.300 0.152 0.000 0.905 104 M CB 4.733 37.378 32.600 0.075 0.000 1.692 104 M HN 0.229 8.541 8.290 0.038 0.000 0.462 105 L N 3.250 124.634 121.223 0.268 0.000 2.334 105 L HA 0.842 5.499 4.340 0.254 -0.165 0.276 105 L C -1.286 175.780 176.870 0.325 0.000 1.014 105 L CA -1.543 53.469 54.840 0.287 0.000 0.815 105 L CB 3.284 45.480 42.059 0.228 0.000 1.268 105 L HN 0.340 8.752 8.230 0.303 0.000 0.428 106 I N 0.553 121.302 120.570 0.299 0.000 2.465 106 I HA 0.596 5.012 4.170 0.124 -0.171 0.291 106 I C -1.591 174.490 176.117 -0.060 0.000 1.014 106 I CA -1.420 59.955 61.300 0.124 0.000 1.093 106 I CB 3.200 41.237 38.000 0.063 0.000 1.267 106 I HN 0.517 8.925 8.210 0.330 0.000 0.431 107 K N 5.914 126.089 120.400 -0.375 0.000 2.130 107 K HA 0.617 4.247 4.320 -1.388 -0.143 0.268 107 K C -1.037 175.284 176.600 -0.466 0.000 0.983 107 K CA -1.844 53.859 56.287 -0.972 0.000 0.893 107 K CB 3.090 34.878 32.500 -1.187 0.000 1.066 107 K HN 0.705 8.822 8.250 -0.222 0.000 0.450 108 L N 2.866 123.843 121.223 -0.411 0.000 2.379 108 L HA 0.285 4.630 4.340 -0.162 -0.102 0.269 108 L C 1.734 178.490 176.870 -0.190 0.000 1.084 108 L CA -0.469 54.243 54.840 -0.214 0.000 0.802 108 L CB 0.655 42.628 42.059 -0.143 0.000 1.175 108 L HN 0.503 8.408 8.230 -0.540 0.000 0.448 109 K N 2.503 122.831 120.400 -0.121 0.000 2.097 109 K HA -0.303 3.953 4.320 -0.105 0.000 0.206 109 K C -0.606 175.945 176.600 -0.082 0.000 1.049 109 K CA 2.527 58.758 56.287 -0.093 0.000 0.933 109 K CB 0.404 32.868 32.500 -0.060 0.000 0.717 109 K HN 0.603 8.795 8.250 -0.097 0.000 0.442 110 S N -3.991 111.667 115.700 -0.070 0.000 2.595 110 S HA 0.124 4.561 4.470 -0.055 0.000 0.281 110 S C -1.675 172.894 174.600 -0.052 0.000 1.117 110 S CA -1.091 57.077 58.200 -0.053 0.000 0.873 110 S CB 2.739 65.920 63.200 -0.031 0.000 1.108 110 S HN -0.402 7.868 8.310 -0.067 0.000 0.477 111 A N -0.360 122.437 122.820 -0.038 0.000 2.425 111 A HA 0.014 4.459 4.320 -0.037 -0.147 0.242 111 A C -0.320 177.258 177.584 -0.009 0.000 1.077 111 A CA 0.024 52.046 52.037 -0.024 0.000 0.781 111 A CB 0.524 19.520 19.000 -0.007 0.000 1.020 111 A HN 0.215 8.346 8.150 -0.032 0.000 0.494 112 A N 0.306 123.129 122.820 0.004 0.000 2.286 112 A HA 0.213 4.614 4.320 0.009 -0.075 0.286 112 A C -0.599 176.995 177.584 0.016 0.000 1.097 112 A CA -1.390 50.655 52.037 0.014 0.000 0.821 112 A CB 1.532 20.549 19.000 0.029 0.000 1.076 112 A HN 0.250 8.290 8.150 0.008 0.115 0.490 113 S N 0.204 115.911 115.700 0.013 0.000 2.452 113 S HA 0.086 4.564 4.470 0.013 0.000 0.284 113 S C -0.543 174.069 174.600 0.020 0.000 1.171 113 S CA -0.523 57.684 58.200 0.012 0.000 1.064 113 S CB 0.591 63.793 63.200 0.003 0.000 0.967 113 S HN -0.088 8.541 8.310 0.011 -0.313 0.484 114 L N 4.573 125.811 121.223 0.025 0.000 2.379 114 L HA 0.098 4.566 4.340 0.038 -0.105 0.269 114 L C -0.333 176.554 176.870 0.027 0.000 1.084 114 L CA -0.498 54.362 54.840 0.033 0.000 0.802 114 L CB 1.033 43.116 42.059 0.040 0.000 1.175 114 L HN 0.140 8.384 8.230 0.024 0.000 0.448 115 N N 0.893 119.611 118.700 0.030 0.000 3.622 115 N HA 0.109 4.863 4.740 0.022 0.000 0.352 115 N C -1.790 173.738 175.510 0.029 0.000 1.559 115 N CA -0.251 52.813 53.050 0.024 0.000 0.801 115 N CB 0.877 39.374 38.487 0.017 0.000 2.399 115 N HN 0.520 8.922 8.380 0.037 0.000 0.545 116 S N -3.441 112.274 115.700 0.025 0.000 2.501 116 S HA -0.053 4.438 4.470 0.035 0.000 0.220 116 S C 0.638 175.255 174.600 0.028 0.000 0.997 116 S CA 1.773 59.990 58.200 0.029 0.000 0.919 116 S CB 0.242 63.455 63.200 0.023 0.000 0.778 116 S HN 0.052 8.374 8.310 0.020 0.000 0.523 117 R N -1.029 119.486 120.500 0.024 0.000 2.223 117 R HA 0.159 4.508 4.340 0.015 0.000 0.198 117 R C -1.173 175.143 176.300 0.026 0.000 0.984 117 R CA 0.170 56.282 56.100 0.020 0.000 1.018 117 R CB 1.085 31.395 30.300 0.017 0.000 0.945 117 R HN 0.031 8.600 8.270 0.022 -0.285 0.479 118 V N -1.645 118.290 119.914 0.036 0.000 2.443 118 V HA 0.300 4.641 4.120 0.050 -0.191 0.293 118 V C -2.187 173.946 176.094 0.064 0.000 1.021 118 V CA -1.082 61.248 62.300 0.049 0.000 0.848 118 V CB 2.603 34.453 31.823 0.045 0.000 0.998 118 V HN -0.524 7.886 8.190 0.034 -0.199 0.424 119 A N 6.401 129.276 122.820 0.092 0.000 2.587 119 A HA 0.484 4.854 4.320 0.084 0.000 0.293 119 A C -2.764 174.909 177.584 0.148 0.000 1.087 119 A CA -0.995 51.106 52.037 0.107 0.000 0.692 119 A CB 3.381 22.445 19.000 0.108 0.000 1.291 119 A HN 0.464 8.558 8.150 0.103 0.118 0.407 120 S N -1.397 114.374 115.700 0.119 0.000 2.669 120 S HA 0.509 5.224 4.470 0.152 -0.154 0.270 120 S C -0.551 174.098 174.600 0.082 0.000 1.225 120 S CA -1.128 57.141 58.200 0.116 0.000 0.991 120 S CB 1.508 64.758 63.200 0.083 0.000 0.987 120 S HN 0.003 8.368 8.310 0.092 0.000 0.552 121 I N 0.417 120.992 120.570 0.007 0.000 2.693 121 I HA 0.235 4.332 4.170 -0.120 0.000 0.303 121 I C -1.248 174.819 176.117 -0.084 0.000 1.025 121 I CA -1.617 59.594 61.300 -0.148 0.000 1.086 121 I CB 3.987 41.691 38.000 -0.492 0.000 1.268 121 I HN -0.092 8.135 8.210 0.030 0.000 0.440 122 S N 5.753 121.402 115.700 -0.085 0.000 2.586 122 S HA 0.271 4.724 4.470 -0.028 0.000 0.274 122 S C -0.672 173.901 174.600 -0.046 0.000 1.281 122 S CA -0.494 57.677 58.200 -0.047 0.000 1.035 122 S CB 0.875 64.052 63.200 -0.037 0.000 0.962 122 S HN 0.232 8.477 8.310 -0.108 0.000 0.512 123 L N 2.622 123.832 121.223 -0.022 0.000 2.439 123 L HA 0.143 4.481 4.340 -0.004 0.000 0.261 123 L C -1.282 175.582 176.870 -0.009 0.000 1.153 123 L CA -1.897 52.940 54.840 -0.005 0.000 0.808 123 L CB -0.077 41.987 42.059 0.010 0.000 1.126 123 L HN 0.237 8.457 8.230 -0.017 0.000 0.460 124 P HA 0.150 4.556 4.420 -0.023 0.000 0.278 124 P C -1.309 175.986 177.300 -0.007 0.000 1.258 124 P CA -0.829 62.264 63.100 -0.012 0.000 0.811 124 P CB 0.931 32.621 31.700 -0.016 0.000 1.063 128 c N 0.495 119.065 118.600 -0.050 0.000 2.480 128 c HA 0.095 4.620 4.570 -0.074 0.000 0.358 128 c C -0.140 173.884 174.090 -0.110 0.000 1.309 128 c CA -0.596 55.687 56.329 -0.077 0.000 2.465 128 c CB 0.601 43.072 42.510 -0.065 0.000 2.379 128 c HN -0.036 8.168 8.230 -0.043 0.000 0.642 129 A N 0.144 122.859 122.820 -0.176 0.000 2.269 129 A HA 0.135 4.377 4.320 -0.130 0.000 0.319 129 A C -1.080 176.397 177.584 -0.177 0.000 1.110 129 A CA -0.554 51.374 52.037 -0.181 0.000 0.847 129 A CB 1.556 20.409 19.000 -0.245 0.000 1.161 129 A HN 0.208 8.219 8.150 -0.232 0.000 0.497 133 G N 0.763 109.525 108.800 -0.063 0.000 2.284 133 G HA2 -0.278 3.651 3.960 -0.052 0.000 0.230 133 G HA3 -0.278 3.655 3.960 -0.045 0.000 0.230 133 G C 0.204 175.067 174.900 -0.062 0.000 1.021 133 G CA -0.003 45.064 45.100 -0.054 0.000 0.619 133 G HN 0.751 8.898 8.290 -0.066 0.103 0.510 134 T N 4.313 118.819 114.554 -0.080 0.000 2.928 134 T HA -0.183 4.130 4.350 -0.061 0.000 0.305 134 T C -0.971 173.684 174.700 -0.074 0.000 1.035 134 T CA 2.388 64.439 62.100 -0.080 0.000 1.145 134 T CB 0.742 69.544 68.868 -0.111 0.000 0.963 134 T HN -0.418 7.676 8.240 -0.092 0.091 0.545 135 Q N 5.549 125.320 119.800 -0.049 0.000 2.243 135 Q HA 0.242 4.680 4.340 -0.041 -0.123 0.252 135 Q C -0.887 175.096 176.000 -0.029 0.000 0.909 135 Q CA 0.301 56.086 55.803 -0.030 0.000 0.922 135 Q CB 1.569 30.305 28.738 -0.002 0.000 1.215 135 Q HN 0.196 8.441 8.270 -0.041 0.000 0.427 136 c N 2.857 121.443 118.600 -0.024 0.000 2.971 136 c HA 0.500 5.150 4.570 -0.017 -0.091 0.310 136 c C -1.896 172.201 174.090 0.011 0.000 1.285 136 c CA -1.475 54.842 56.329 -0.021 0.000 1.593 136 c CB 4.236 46.714 42.510 -0.054 0.000 2.076 136 c HN 0.938 9.042 8.230 -0.022 0.113 0.472 137 L N 0.812 122.050 121.223 0.025 0.000 2.296 137 L HA 0.824 5.360 4.340 0.054 -0.164 0.286 137 L C -2.162 174.722 176.870 0.024 0.000 1.023 137 L CA -1.312 53.555 54.840 0.046 0.000 0.812 137 L CB 2.917 45.025 42.059 0.081 0.000 1.223 137 L HN 0.694 8.828 8.230 0.019 0.108 0.421 138 I N 7.191 127.760 120.570 -0.001 0.000 2.474 138 I HA 0.779 5.174 4.170 0.013 -0.216 0.294 138 I C -1.354 174.732 176.117 -0.052 0.000 1.005 138 I CA -1.451 59.846 61.300 -0.006 0.000 1.113 138 I CB 2.587 40.591 38.000 0.008 0.000 1.289 138 I HN 0.989 9.198 8.210 -0.001 0.000 0.436 139 S N 2.374 118.033 115.700 -0.069 0.000 2.618 139 S HA 1.107 5.624 4.470 -0.229 -0.185 0.277 139 S C -1.092 173.378 174.600 -0.216 0.000 1.138 139 S CA -1.878 56.204 58.200 -0.196 0.000 0.844 139 S CB 3.790 66.840 63.200 -0.250 0.000 1.127 139 S HN -0.219 8.081 8.310 -0.017 0.000 0.474 140 G N -1.453 107.123 108.800 -0.373 0.000 2.316 140 G HA2 0.153 3.858 3.960 -0.425 0.000 0.296 140 G HA3 0.153 4.205 3.960 -0.078 -0.139 0.296 140 G C -2.479 172.177 174.900 -0.407 0.000 1.399 140 G CA 0.557 45.463 45.100 -0.324 0.000 0.833 140 G HN 0.052 8.062 8.290 -0.467 0.000 0.565 141 W N 0.962 122.229 121.300 -0.055 0.000 2.862 141 W HA 0.412 5.037 4.660 -0.059 0.000 0.426 141 W C -0.405 176.174 176.519 0.099 0.000 0.950 141 W CA -1.054 56.232 57.345 -0.098 0.000 2.150 141 W CB 0.197 29.392 29.460 -0.442 0.000 1.161 141 W HN 0.599 8.909 8.180 0.216 0.000 0.696 142 G N 0.710 109.692 108.800 0.304 0.000 2.557 142 G HA2 0.036 4.351 3.960 0.618 0.000 0.292 142 G HA3 0.036 4.351 3.960 0.327 -0.160 0.292 142 G C -0.900 174.147 174.900 0.244 0.000 1.237 142 G CA -1.001 44.339 45.100 0.401 0.000 0.978 142 G HN -0.478 8.079 8.290 0.179 -0.160 0.498 143 N N -0.405 118.358 118.700 0.105 0.000 2.293 143 N HA -0.322 4.163 4.740 -0.737 -0.188 0.253 143 N C 0.826 176.254 175.510 -0.138 0.000 1.248 143 N CA 1.325 54.184 53.050 -0.319 0.000 0.845 143 N CB 0.525 38.826 38.487 -0.310 0.000 1.073 143 N HN 0.162 8.743 8.380 0.335 0.000 0.464 144 T N 0.411 114.869 114.554 -0.160 0.000 3.054 144 T HA 0.217 4.689 4.350 -0.051 -0.152 0.255 144 T C 0.163 174.821 174.700 -0.070 0.000 1.035 144 T CA 0.358 62.411 62.100 -0.078 0.000 0.941 144 T CB 1.393 70.227 68.868 -0.057 0.000 1.026 144 T HN 0.229 8.322 8.240 -0.244 0.000 0.533 145 K N 2.381 122.724 120.400 -0.095 0.000 2.259 145 K HA 0.288 4.583 4.320 -0.042 0.000 0.252 145 K C -0.353 176.221 176.600 -0.044 0.000 0.936 145 K CA -1.093 55.156 56.287 -0.062 0.000 0.810 145 K CB 2.677 35.135 32.500 -0.070 0.000 1.143 145 K HN -0.589 7.814 8.250 -0.149 -0.243 0.427 146 S N 0.056 115.744 115.700 -0.019 0.000 2.458 146 S HA -0.086 4.387 4.470 0.004 0.000 0.223 146 S C -0.043 174.558 174.600 0.002 0.000 1.019 146 S CA 1.398 59.598 58.200 -0.000 0.000 0.937 146 S CB 0.848 64.054 63.200 0.009 0.000 0.788 146 S HN 0.137 8.437 8.310 -0.017 0.000 0.511 147 S N 1.718 117.415 115.700 -0.005 0.000 2.532 147 S HA 0.175 4.650 4.470 0.008 0.000 0.256 147 S C -1.065 173.531 174.600 -0.007 0.000 1.298 147 S CA -0.268 57.932 58.200 0.001 0.000 1.166 147 S CB 0.067 63.269 63.200 0.003 0.000 1.022 147 S HN -0.580 7.699 8.310 -0.011 0.024 0.480 148 G N 2.091 110.887 108.800 -0.007 0.000 2.440 148 G HA2 -0.218 3.746 3.960 0.007 0.000 0.684 148 G HA3 -0.218 3.735 3.960 -0.012 0.000 0.684 148 G C -2.666 172.208 174.900 -0.043 0.000 1.309 148 G CA -0.829 44.265 45.100 -0.010 0.000 0.931 148 G HN -0.187 8.103 8.290 0.001 0.000 0.612 149 T N -3.266 111.262 114.554 -0.042 0.000 2.771 149 T HA 0.083 4.398 4.350 -0.284 -0.135 0.281 149 T C -1.293 173.286 174.700 -0.201 0.000 0.982 149 T CA -1.348 60.662 62.100 -0.149 0.000 0.978 149 T CB 1.534 70.453 68.868 0.085 0.000 0.930 149 T HN -0.160 8.079 8.240 -0.002 0.000 0.447 150 S N 4.622 120.086 115.700 -0.394 0.000 2.775 150 S HA 0.221 4.653 4.470 -0.062 0.000 0.277 150 S C -2.091 172.305 174.600 -0.340 0.000 1.156 150 S CA -0.549 57.532 58.200 -0.198 0.000 1.081 150 S CB 1.069 64.203 63.200 -0.111 0.000 1.054 150 S HN 0.692 9.042 8.310 -0.606 -0.403 0.482 151 Y N 5.675 126.016 120.300 0.069 0.000 2.342 151 Y HA 0.199 4.808 4.550 0.098 0.000 0.334 151 Y C -0.863 175.089 175.900 0.086 0.000 1.067 151 Y CA -2.664 55.491 58.100 0.092 0.000 1.128 151 Y CB 1.029 39.556 38.460 0.112 0.000 1.200 151 Y HN 0.095 8.488 8.280 0.189 0.000 0.464 152 P HA 0.269 4.765 4.420 0.127 0.000 0.279 152 P C -1.609 175.815 177.300 0.206 0.000 1.276 152 P CA -1.099 62.103 63.100 0.169 0.000 0.801 152 P CB 1.971 33.743 31.700 0.120 0.000 1.127 153 D N -2.903 117.595 120.400 0.165 0.000 2.323 153 D HA -0.020 4.683 4.640 0.106 0.000 0.218 153 D C -0.722 175.719 176.300 0.235 0.000 0.973 153 D CA 1.864 55.948 54.000 0.141 0.000 0.890 153 D CB 0.971 41.826 40.800 0.091 0.000 1.011 153 D HN 0.371 8.820 8.370 0.132 0.000 0.499 154 V N -7.897 112.156 119.914 0.231 0.000 2.966 154 V HA 0.705 5.364 4.120 0.410 -0.293 0.317 154 V C -0.671 175.510 176.094 0.146 0.000 1.070 154 V CA -2.861 59.598 62.300 0.265 0.000 1.008 154 V CB 2.027 33.925 31.823 0.125 0.000 1.070 154 V HN -0.892 7.394 8.190 0.161 0.000 0.457 155 L N 1.656 122.847 121.223 -0.054 0.000 2.455 155 L HA -0.073 3.483 4.340 -1.308 0.000 0.272 155 L C -0.264 176.362 176.870 -0.407 0.000 1.174 155 L CA 0.883 55.331 54.840 -0.654 0.000 0.869 155 L CB 0.505 42.164 42.059 -0.666 0.000 1.130 155 L HN 0.019 8.494 8.230 0.148 -0.156 0.474 156 K N 5.947 126.085 120.400 -0.438 0.000 2.203 156 K HA 0.734 5.034 4.320 -0.315 -0.169 0.251 156 K C -1.126 175.221 176.600 -0.421 0.000 0.944 156 K CA -2.614 53.468 56.287 -0.341 0.000 0.829 156 K CB 2.421 34.786 32.500 -0.226 0.000 1.125 156 K HN 0.016 7.935 8.250 -0.553 0.000 0.430 157 c N -0.084 118.159 118.600 -0.595 0.000 2.614 157 c HA 0.931 5.434 4.570 -0.405 -0.176 0.320 157 c C -1.768 171.940 174.090 -0.636 0.000 1.200 157 c CA -0.715 55.211 56.329 -0.671 0.000 1.700 157 c CB 3.385 45.348 42.510 -0.912 0.000 2.275 157 c HN 0.743 8.550 8.230 -0.706 0.000 0.492 158 L N 0.447 121.512 121.223 -0.263 0.000 2.482 158 L HA 0.390 4.752 4.340 0.037 0.000 0.263 158 L C -2.512 174.414 176.870 0.094 0.000 0.957 158 L CA 0.029 54.856 54.840 -0.021 0.000 0.836 158 L CB 4.539 46.611 42.059 0.022 0.000 1.324 158 L HN 0.630 8.746 8.230 -0.191 0.000 0.406 159 K N 5.416 125.937 120.400 0.201 0.000 2.240 159 K HA 0.769 5.358 4.320 0.126 -0.193 0.271 159 K C -1.083 175.649 176.600 0.221 0.000 1.018 159 K CA -1.371 55.025 56.287 0.182 0.000 0.874 159 K CB 1.145 33.762 32.500 0.195 0.000 1.098 159 K HN 0.368 8.768 8.250 0.249 0.000 0.458 160 A N 4.636 127.525 122.820 0.114 0.000 2.475 160 A HA 0.685 5.021 4.320 0.027 0.000 0.301 160 A C -3.356 174.164 177.584 -0.107 0.000 1.059 160 A CA -3.079 48.962 52.037 0.006 0.000 0.710 160 A CB 3.031 22.038 19.000 0.012 0.000 1.288 160 A HN 0.886 9.071 8.150 0.058 0.000 0.408 161 P HA 0.699 5.271 4.420 -0.101 -0.213 0.284 161 P C -0.973 176.261 177.300 -0.111 0.000 1.258 161 P CA -1.400 61.609 63.100 -0.150 0.000 0.824 161 P CB 1.498 33.103 31.700 -0.158 0.000 1.038 162 I N 0.360 120.883 120.570 -0.078 0.000 2.496 162 I HA -0.036 4.309 4.170 0.094 -0.119 0.285 162 I C 0.094 176.202 176.117 -0.015 0.000 1.080 162 I CA 0.487 61.772 61.300 -0.024 0.000 1.404 162 I CB 0.249 38.150 38.000 -0.165 0.000 1.403 162 I HN 0.062 8.214 8.210 -0.096 0.000 0.539 163 L N 6.732 127.981 121.223 0.043 0.000 2.431 163 L HA 0.255 4.587 4.340 -0.015 0.000 0.260 163 L C -0.139 176.748 176.870 0.029 0.000 1.098 163 L CA -0.985 53.866 54.840 0.019 0.000 0.800 163 L CB 0.618 42.697 42.059 0.033 0.000 1.210 163 L HN 0.316 8.508 8.230 0.122 0.111 0.465 164 S N -1.847 113.863 115.700 0.017 0.000 2.600 164 S HA -0.083 4.392 4.470 0.010 0.000 0.265 164 S C 0.365 174.988 174.600 0.038 0.000 1.325 164 S CA -0.958 57.253 58.200 0.018 0.000 1.002 164 S CB 1.734 64.939 63.200 0.009 0.000 0.921 164 S HN -0.029 8.286 8.310 0.008 0.000 0.554 165 D N 1.253 121.676 120.400 0.039 0.000 2.144 165 D HA -0.211 4.474 4.640 0.075 0.000 0.200 165 D C 1.731 178.060 176.300 0.049 0.000 0.978 165 D CA 3.158 57.191 54.000 0.055 0.000 0.833 165 D CB -0.301 40.527 40.800 0.047 0.000 0.961 165 D HN 0.542 8.928 8.370 0.027 0.000 0.470 166 S N -1.226 114.494 115.700 0.033 0.000 2.382 166 S HA -0.311 4.179 4.470 0.032 0.000 0.228 166 S C 2.106 176.723 174.600 0.027 0.000 1.027 166 S CA 3.604 61.821 58.200 0.028 0.000 0.991 166 S CB -0.256 62.955 63.200 0.018 0.000 0.823 166 S HN 0.025 8.351 8.310 0.026 0.000 0.469 167 S N 3.233 118.948 115.700 0.024 0.000 2.387 167 S HA -0.206 4.267 4.470 0.005 0.000 0.226 167 S C 1.848 176.464 174.600 0.027 0.000 1.026 167 S CA 3.843 62.053 58.200 0.015 0.000 0.972 167 S CB -0.174 63.033 63.200 0.011 0.000 0.814 167 S HN -0.545 7.779 8.310 0.024 0.000 0.477 168 c N 3.557 122.193 118.600 0.059 0.000 2.432 168 c HA -0.291 4.347 4.570 0.114 0.000 0.277 168 c C 1.655 175.822 174.090 0.127 0.000 1.249 168 c CA 2.801 59.194 56.329 0.106 0.000 1.725 168 c CB -1.741 40.840 42.510 0.119 0.000 2.028 168 c HN -0.277 7.988 8.230 0.059 0.000 0.477 169 K N -1.163 119.297 120.400 0.100 0.000 2.148 169 K HA -0.275 4.133 4.320 0.148 0.000 0.204 169 K C 2.389 179.030 176.600 0.069 0.000 1.050 169 K CA 2.907 59.256 56.287 0.103 0.000 0.942 169 K CB -0.237 32.310 32.500 0.079 0.000 0.724 169 K HN 0.139 8.438 8.250 0.082 0.000 0.446 170 S N -1.256 114.464 115.700 0.033 0.000 2.406 170 S HA -0.180 4.298 4.470 0.014 0.000 0.228 170 S C 1.271 175.848 174.600 -0.038 0.000 1.020 170 S CA 2.525 60.728 58.200 0.004 0.000 0.965 170 S CB -0.054 63.143 63.200 -0.005 0.000 0.798 170 S HN -0.227 8.005 8.310 0.034 0.098 0.488 171 A N -0.026 122.745 122.820 -0.081 0.000 1.897 171 A HA -0.110 4.060 4.320 -0.251 0.000 0.215 171 A C -0.101 177.226 177.584 -0.428 0.000 1.181 171 A CA 2.052 53.915 52.037 -0.291 0.000 0.620 171 A CB 0.827 19.589 19.000 -0.397 0.000 0.821 171 A HN -0.529 7.486 8.150 -0.032 0.116 0.443 172 Y N -5.391 114.949 120.300 0.067 0.000 2.638 172 Y HA 0.455 5.083 4.550 0.130 0.000 0.367 172 Y C -2.397 173.567 175.900 0.107 0.000 1.001 172 Y CA -3.621 54.555 58.100 0.127 0.000 1.133 172 Y CB -0.359 38.229 38.460 0.213 0.000 1.199 172 Y HN -0.491 7.850 8.280 0.101 0.000 0.642 173 P HA -0.112 4.505 4.420 0.107 -0.133 0.262 173 P C 0.874 178.245 177.300 0.118 0.000 1.182 173 P CA 1.109 64.276 63.100 0.112 0.000 0.761 173 P CB 0.061 31.799 31.700 0.063 0.000 0.795 174 G N 3.968 112.829 108.800 0.101 0.000 2.175 174 G HA2 -0.368 3.630 3.960 0.064 0.000 0.265 174 G HA3 -0.368 3.627 3.960 0.058 0.000 0.265 174 G C 0.128 175.081 174.900 0.089 0.000 0.979 174 G CA 0.702 45.848 45.100 0.077 0.000 0.663 174 G HN 0.521 8.868 8.290 0.096 0.000 0.533 175 Q N -2.457 117.434 119.800 0.152 0.000 2.189 175 Q HA 0.075 4.448 4.340 0.056 0.000 0.223 175 Q C -0.788 175.350 176.000 0.229 0.000 0.828 175 Q CA -0.539 55.354 55.803 0.151 0.000 0.967 175 Q CB 1.340 30.191 28.738 0.189 0.000 1.139 175 Q HN -0.276 8.053 8.270 0.200 0.061 0.497 176 I N 0.170 120.864 120.570 0.207 0.000 2.321 176 I HA 0.083 4.399 4.170 0.243 0.000 0.291 176 I C -0.151 176.043 176.117 0.129 0.000 0.998 176 I CA -2.114 59.300 61.300 0.191 0.000 1.227 176 I CB -0.500 37.601 38.000 0.170 0.000 1.368 176 I HN -0.366 7.950 8.210 0.177 0.000 0.466 177 T N 2.753 117.380 114.554 0.120 0.000 2.893 177 T HA 0.326 4.716 4.350 0.067 0.000 0.279 177 T C 0.528 175.278 174.700 0.082 0.000 0.991 177 T CA -1.969 60.180 62.100 0.082 0.000 0.950 177 T CB 2.114 71.023 68.868 0.069 0.000 1.223 177 T HN -0.385 7.943 8.240 0.147 0.000 0.585 178 S N -2.417 113.318 115.700 0.059 0.000 2.660 178 S HA -0.097 4.414 4.470 0.068 0.000 0.223 178 S C -0.263 174.378 174.600 0.067 0.000 0.963 178 S CA 1.142 59.375 58.200 0.055 0.000 0.932 178 S CB -0.268 62.946 63.200 0.023 0.000 0.775 178 S HN 0.210 8.545 8.310 0.042 0.000 0.531 179 N N 0.390 119.147 118.700 0.095 0.000 2.275 179 N HA 0.168 4.983 4.740 0.124 0.000 0.236 179 N C -1.895 173.731 175.510 0.193 0.000 1.154 179 N CA -0.441 52.698 53.050 0.148 0.000 0.866 179 N CB 1.166 39.768 38.487 0.192 0.000 1.093 179 N HN -0.621 7.715 8.380 0.094 0.100 0.515 180 M N -0.887 118.811 119.600 0.163 0.000 2.572 180 M HA 0.832 5.578 4.480 0.080 -0.217 0.299 180 M C -2.419 173.981 176.300 0.167 0.000 1.205 180 M CA -0.385 54.983 55.300 0.114 0.000 0.876 180 M CB 5.048 37.694 32.600 0.078 0.000 1.728 180 M HN -0.838 7.459 8.290 0.147 0.081 0.458 181 F N -5.419 114.569 119.950 0.063 0.000 2.626 181 F HA 0.621 5.174 4.527 0.043 0.000 0.311 181 F C -2.693 173.152 175.800 0.075 0.000 1.088 181 F CA -1.790 56.245 58.000 0.059 0.000 0.949 181 F CB 2.525 41.558 39.000 0.055 0.000 1.322 181 F HN -0.008 8.139 8.300 -0.253 0.000 0.461 182 c N -0.111 118.639 118.600 0.249 0.000 2.391 182 c HA 0.994 5.782 4.570 0.034 -0.197 0.339 182 c C -1.033 173.239 174.090 0.303 0.000 1.205 182 c CA -0.904 55.520 56.329 0.158 0.000 1.937 182 c CB 2.811 45.390 42.510 0.116 0.000 2.341 182 c HN 0.823 9.240 8.230 0.313 0.000 0.516 183 A N 3.032 126.018 122.820 0.277 0.000 2.476 183 A HA 0.678 5.212 4.320 0.098 -0.155 0.280 183 A C -2.363 175.283 177.584 0.103 0.000 1.081 183 A CA -0.303 51.830 52.037 0.159 0.000 0.753 183 A CB 2.671 21.708 19.000 0.063 0.000 1.248 183 A HN 0.273 8.607 8.150 0.308 0.000 0.424 184 Y N 2.730 123.065 120.300 0.058 0.000 2.367 184 Y HA 0.132 4.705 4.550 0.037 0.000 0.342 184 Y C 0.869 176.787 175.900 0.030 0.000 0.979 184 Y CA -0.425 57.698 58.100 0.040 0.000 1.161 184 Y CB 0.874 39.355 38.460 0.035 0.000 1.155 184 Y HN 0.201 8.646 8.280 0.275 0.000 0.503 185 L N 3.950 125.243 121.223 0.117 0.000 2.275 185 L HA -0.313 4.058 4.340 0.051 0.000 0.215 185 L C 1.023 177.937 176.870 0.074 0.000 1.119 185 L CA 2.270 57.150 54.840 0.067 0.000 0.790 185 L CB -0.389 41.689 42.059 0.032 0.000 0.919 185 L HN 0.538 8.819 8.230 0.085 0.000 0.443 186 E N -2.331 117.932 120.200 0.106 0.000 2.427 186 E HA -0.102 4.277 4.350 0.048 0.000 0.196 186 E C 0.784 177.421 176.600 0.062 0.000 1.028 186 E CA 0.111 56.553 56.400 0.070 0.000 0.864 186 E CB -0.508 29.231 29.700 0.066 0.000 0.813 186 E HN 0.080 8.495 8.360 0.154 0.038 0.514 187 G N 0.797 109.652 108.800 0.091 0.000 3.405 187 G HA2 -0.383 3.666 3.960 0.084 0.000 0.676 187 G HA3 -0.383 3.623 3.960 0.044 -0.020 0.676 187 G C -0.842 174.079 174.900 0.035 0.000 1.039 187 G CA -0.165 44.975 45.100 0.067 0.000 0.855 187 G HN -0.423 7.768 8.290 0.138 0.182 0.443 188 K N 1.388 121.778 120.400 -0.016 0.000 7.396 188 K HA -0.599 3.876 4.320 -0.005 -0.158 0.647 188 K C -1.272 175.409 176.600 0.135 0.000 2.584 188 K CA 0.466 56.756 56.287 0.005 0.000 1.938 188 K CB 0.008 32.405 32.500 -0.172 0.000 1.962 188 K HN 0.179 8.443 8.250 0.024 0.000 0.295 189 D N -0.214 120.258 120.400 0.120 0.000 2.808 189 D HA 0.259 5.020 4.640 0.203 0.000 0.294 189 D C -1.944 174.424 176.300 0.114 0.000 1.278 189 D CA -0.501 53.587 54.000 0.147 0.000 0.756 189 D CB 4.088 44.957 40.800 0.115 0.000 1.271 189 D HN 0.219 8.636 8.370 0.078 0.000 0.425 190 S N -1.696 114.081 115.700 0.129 0.000 2.707 190 S HA 0.350 4.935 4.470 0.091 -0.060 0.276 190 S C -1.372 173.275 174.600 0.077 0.000 1.179 190 S CA -0.602 57.664 58.200 0.110 0.000 0.992 190 S CB 1.822 65.122 63.200 0.166 0.000 1.030 190 S HN 0.290 8.688 8.310 0.147 0.000 0.554 191 c N -1.219 117.433 118.600 0.087 0.000 3.292 191 c HA 0.395 5.009 4.570 0.073 0.000 0.369 191 c C -1.269 172.904 174.090 0.138 0.000 1.664 191 c CA -1.030 55.352 56.329 0.088 0.000 1.204 191 c CB 2.740 45.286 42.510 0.061 0.000 1.978 191 c HN 0.286 8.869 8.230 0.104 -0.291 0.435 192 Q N 1.386 121.284 119.800 0.164 0.000 2.386 192 Q HA -0.194 4.271 4.340 0.207 0.000 0.282 192 Q C 0.768 176.966 176.000 0.329 0.000 1.050 192 Q CA 1.336 57.277 55.803 0.230 0.000 0.918 192 Q CB 0.025 28.904 28.738 0.236 0.000 1.266 192 Q HN 0.482 8.832 8.270 0.135 0.000 0.423 193 G N 4.026 113.015 108.800 0.314 0.000 2.254 193 G HA2 -0.429 3.691 3.960 0.267 0.000 0.225 193 G HA3 -0.429 3.831 3.960 0.500 0.000 0.225 193 G C 0.571 175.688 174.900 0.362 0.000 1.003 193 G CA 1.125 46.447 45.100 0.370 0.000 0.622 193 G HN 0.844 9.292 8.290 0.264 0.000 0.507 194 D N 1.564 122.126 120.400 0.269 0.000 2.333 194 D HA 0.073 4.850 4.640 0.229 0.000 0.208 194 D C 0.170 176.573 176.300 0.171 0.000 0.984 194 D CA 1.047 55.172 54.000 0.207 0.000 0.873 194 D CB 0.182 41.072 40.800 0.151 0.000 0.935 194 D HN -0.222 8.178 8.370 0.250 0.119 0.521 195 S N -0.982 114.825 115.700 0.177 0.000 2.599 195 S HA -0.493 4.228 4.470 0.174 -0.147 0.303 195 S C 1.260 175.882 174.600 0.037 0.000 1.267 195 S CA 2.532 60.825 58.200 0.155 0.000 1.055 195 S CB -0.406 62.972 63.200 0.295 0.000 0.790 195 S HN -0.428 7.973 8.310 0.207 0.033 0.500 196 G N 4.509 113.306 108.800 -0.006 0.000 2.284 196 G HA2 -0.451 3.556 3.960 -0.060 0.000 0.247 196 G HA3 -0.451 3.591 3.960 -0.066 -0.122 0.247 196 G C -0.187 174.740 174.900 0.045 0.000 1.012 196 G CA 0.375 45.458 45.100 -0.029 0.000 0.618 196 G HN 0.821 9.125 8.290 0.023 0.000 0.521 197 G N 1.033 109.886 108.800 0.088 0.000 2.621 197 G HA2 0.367 4.465 3.960 0.113 0.000 0.271 197 G HA3 0.367 4.394 3.960 0.111 0.000 0.271 197 G C -2.640 172.337 174.900 0.128 0.000 1.236 197 G CA -1.915 43.253 45.100 0.112 0.000 0.958 197 G HN -0.394 7.860 8.290 0.096 0.093 0.512 198 P HA 0.363 4.978 4.420 0.121 -0.122 0.282 198 P C -1.542 175.818 177.300 0.100 0.000 1.259 198 P CA -0.988 62.197 63.100 0.142 0.000 0.826 198 P CB 1.935 33.780 31.700 0.242 0.000 1.064 199 V N 1.416 121.367 119.914 0.062 0.000 2.445 199 V HA 0.237 4.491 4.120 -0.030 -0.151 0.283 199 V C -1.388 174.712 176.094 0.009 0.000 1.014 199 V CA -0.331 61.965 62.300 -0.008 0.000 0.852 199 V CB 1.486 33.270 31.823 -0.063 0.000 1.021 199 V HN -0.275 7.957 8.190 0.069 0.000 0.435 200 V N 7.632 127.547 119.914 0.002 0.000 2.435 200 V HA 0.669 4.944 4.120 -0.069 -0.196 0.290 200 V C -1.317 174.757 176.094 -0.034 0.000 1.030 200 V CA -1.322 60.952 62.300 -0.045 0.000 0.881 200 V CB 2.809 34.585 31.823 -0.078 0.000 0.983 200 V HN 0.449 8.657 8.190 0.029 0.000 0.445 201 c N 7.196 125.763 118.600 -0.055 0.000 2.482 201 c HA 0.561 5.109 4.570 -0.037 0.000 0.317 201 c C 0.199 174.259 174.090 -0.051 0.000 1.197 201 c CA -1.172 55.124 56.329 -0.055 0.000 1.432 201 c CB 2.407 44.864 42.510 -0.089 0.000 2.062 201 c HN 0.612 8.801 8.230 -0.068 0.000 0.471 202 S N 5.117 120.796 115.700 -0.035 0.000 3.549 202 S HA -0.351 4.108 4.470 -0.018 0.000 0.366 202 S C 0.353 174.933 174.600 -0.033 0.000 1.012 202 S CA 1.055 59.238 58.200 -0.030 0.000 1.141 202 S CB -1.238 61.941 63.200 -0.036 0.000 0.910 202 S HN 1.134 9.428 8.310 -0.027 0.000 0.471 203 G N -5.356 103.424 108.800 -0.034 0.000 2.155 203 G HA2 -0.359 3.572 3.960 -0.047 0.000 0.257 203 G HA3 -0.359 3.581 3.960 -0.033 0.000 0.257 203 G C -0.804 174.047 174.900 -0.082 0.000 0.983 203 G CA 0.443 45.514 45.100 -0.048 0.000 0.676 203 G HN 0.300 8.567 8.290 -0.025 0.009 0.528 210 Q N 0.993 120.804 119.800 0.018 0.000 2.373 210 Q HA 0.174 4.538 4.340 0.040 0.000 0.210 210 Q C -0.129 176.019 176.000 0.246 0.000 0.913 210 Q CA 0.379 56.211 55.803 0.049 0.000 0.911 210 Q CB 2.545 31.232 28.738 -0.085 0.000 1.040 210 Q HN 0.222 8.491 8.270 -0.001 0.000 0.521 211 G N -3.510 105.466 108.800 0.293 0.000 2.725 211 G HA2 0.607 5.064 3.960 0.429 0.000 0.288 211 G HA3 0.607 4.833 3.960 0.442 0.000 0.288 211 G C -3.172 171.844 174.900 0.195 0.000 1.399 211 G CA -0.894 44.427 45.100 0.368 0.000 0.859 211 G HN -0.472 7.923 8.290 0.175 0.000 0.479 212 I N -1.906 118.775 120.570 0.184 0.000 2.533 212 I HA 0.563 5.057 4.170 0.153 -0.232 0.290 212 I C -0.462 175.787 176.117 0.221 0.000 1.056 212 I CA -1.474 59.921 61.300 0.158 0.000 1.057 212 I CB 4.566 42.617 38.000 0.085 0.000 1.240 212 I HN -0.457 7.937 8.210 0.168 -0.083 0.423 213 V N 6.848 126.905 119.914 0.238 0.000 2.458 213 V HA -0.220 3.967 4.120 0.111 0.000 0.287 213 V C -1.143 174.986 176.094 0.058 0.000 1.009 213 V CA 2.135 64.529 62.300 0.156 0.000 1.091 213 V CB -1.245 30.685 31.823 0.179 0.000 0.960 213 V HN 0.313 8.623 8.190 0.201 0.000 0.476 214 S N 7.673 123.326 115.700 -0.078 0.000 3.142 214 S HA 0.271 4.976 4.470 0.391 0.000 0.223 214 S C -0.837 173.866 174.600 0.172 0.000 0.939 214 S CA 1.018 59.312 58.200 0.158 0.000 0.826 214 S CB 2.414 65.688 63.200 0.123 0.000 0.823 214 S HN -0.055 8.014 8.310 -0.401 0.000 0.612 215 W N -4.288 116.860 121.300 -0.253 0.000 2.871 215 W HA 0.258 4.806 4.660 -0.185 0.000 0.416 215 W C -2.969 173.377 176.519 -0.288 0.000 1.108 215 W CA -0.615 56.584 57.345 -0.243 0.000 1.179 215 W CB 0.562 29.877 29.460 -0.240 0.000 1.479 215 W HN -0.331 7.527 8.180 -0.536 0.000 0.598 216 G N -3.159 105.714 108.800 0.122 0.000 2.328 216 G HA2 0.056 3.757 3.960 -0.432 0.000 0.295 216 G HA3 0.056 3.955 3.960 -0.102 0.000 0.295 216 G C -2.331 172.713 174.900 0.241 0.000 1.413 216 G CA 0.297 45.368 45.100 -0.049 0.000 0.817 216 G HN -0.059 8.479 8.290 0.413 0.000 0.546 220 c N 1.924 120.561 118.600 0.061 0.000 3.290 220 c HA 0.284 5.024 4.570 0.061 -0.133 0.206 220 c C -1.455 172.666 174.090 0.051 0.000 1.639 220 c CA -0.849 55.513 56.329 0.055 0.000 1.408 220 c CB -1.457 41.080 42.510 0.044 0.000 2.197 220 c HN 0.336 8.598 8.230 0.053 0.000 0.508 221 Q N -2.179 117.653 119.800 0.054 0.000 2.889 221 Q HA 0.152 4.512 4.340 0.034 0.000 0.262 221 Q C -1.643 174.380 176.000 0.038 0.000 0.966 221 Q CA -0.777 55.051 55.803 0.042 0.000 0.858 221 Q CB 1.913 30.677 28.738 0.044 0.000 1.845 221 Q HN -0.152 8.156 8.270 0.064 0.000 0.464 222 K N 3.683 124.098 120.400 0.026 0.000 2.436 222 K HA -0.251 4.207 4.320 0.033 -0.118 0.275 222 K C 0.242 176.841 176.600 -0.001 0.000 0.999 222 K CA 0.671 56.969 56.287 0.019 0.000 0.980 222 K CB 0.028 32.536 32.500 0.014 0.000 0.919 222 K HN 0.256 8.519 8.250 0.022 0.000 0.484 223 N N 1.808 120.504 118.700 -0.008 0.000 2.732 223 N HA -0.485 4.230 4.740 -0.042 0.000 0.250 223 N C -1.552 173.891 175.510 -0.112 0.000 1.097 223 N CA 1.788 54.806 53.050 -0.052 0.000 0.812 223 N CB -0.447 38.003 38.487 -0.061 0.000 1.148 223 N HN 0.795 9.058 8.380 0.012 0.124 0.572 224 K N -1.692 118.671 120.400 -0.063 0.000 2.606 224 K HA 0.531 4.646 4.320 -0.342 0.000 0.196 224 K C -2.336 174.308 176.600 0.074 0.000 1.048 224 K CA -3.506 52.735 56.287 -0.077 0.000 1.017 224 K CB -0.231 32.289 32.500 0.034 0.000 1.413 224 K HN -0.744 7.445 8.250 -0.007 0.057 0.568 225 P HA -0.031 4.451 4.420 0.104 0.000 0.273 225 P C -0.503 176.852 177.300 0.091 0.000 1.250 225 P CA -0.463 62.706 63.100 0.115 0.000 0.793 225 P CB 1.228 32.983 31.700 0.091 0.000 1.011 226 G N -2.247 106.559 108.800 0.010 0.000 2.507 226 G HA2 0.323 4.078 3.960 -0.342 0.000 0.271 226 G HA3 0.323 4.122 3.960 -0.269 0.000 0.271 226 G C -1.831 172.720 174.900 -0.581 0.000 1.189 226 G CA -0.733 44.191 45.100 -0.293 0.000 0.859 226 G HN -0.378 7.974 8.290 0.104 0.000 0.542 227 V N 0.982 120.230 119.914 -1.110 0.000 2.555 227 V HA 0.610 4.450 4.120 -0.736 -0.161 0.302 227 V C -0.911 174.413 176.094 -1.283 0.000 1.038 227 V CA -1.053 60.548 62.300 -1.165 0.000 0.887 227 V CB 2.568 33.236 31.823 -1.926 0.000 0.991 227 V HN 0.475 7.980 8.190 -1.140 0.000 0.434 228 Y N 4.212 124.100 120.300 -0.686 0.000 2.536 228 Y HA 0.582 5.055 4.550 -0.367 -0.143 0.347 228 Y C 0.222 175.859 175.900 -0.438 0.000 1.000 228 Y CA -2.154 55.574 58.100 -0.621 0.000 1.051 228 Y CB 3.971 41.797 38.460 -1.056 0.000 1.259 228 Y HN 0.783 8.678 8.280 -0.643 0.000 0.468 229 T N 4.552 119.085 114.554 -0.035 0.000 2.901 229 T HA 0.001 4.555 4.350 0.097 -0.146 0.301 229 T C -0.625 174.205 174.700 0.217 0.000 1.012 229 T CA 1.542 63.691 62.100 0.082 0.000 1.135 229 T CB 0.574 69.469 68.868 0.046 0.000 0.936 229 T HN 0.349 8.597 8.240 0.013 0.000 0.539 230 K N 8.316 128.927 120.400 0.352 0.000 2.127 230 K HA 0.118 4.849 4.320 0.685 0.000 0.261 230 K C 0.731 177.578 176.600 0.412 0.000 1.129 230 K CA -0.753 55.816 56.287 0.470 0.000 0.993 230 K CB -0.422 32.303 32.500 0.375 0.000 1.410 230 K HN 0.021 8.363 8.250 0.322 0.101 0.380 231 V N 5.534 125.672 119.914 0.373 0.000 2.453 231 V HA -0.533 3.871 4.120 0.472 0.000 0.252 231 V C 1.378 177.635 176.094 0.270 0.000 1.068 231 V CA 3.683 66.189 62.300 0.344 0.000 1.070 231 V CB -0.271 31.685 31.823 0.222 0.000 0.664 231 V HN 0.153 8.573 8.190 0.384 0.000 0.461 232 c N -3.656 115.039 118.600 0.158 0.000 2.409 232 c HA -0.201 4.411 4.570 0.070 0.000 0.284 232 c C 1.395 175.503 174.090 0.029 0.000 1.354 232 c CA 1.462 57.834 56.329 0.072 0.000 1.787 232 c CB -2.134 40.388 42.510 0.019 0.000 1.900 232 c HN 0.459 8.759 8.230 0.154 0.023 0.520 233 N N 0.575 119.261 118.700 -0.023 0.000 2.412 233 N HA -0.034 4.605 4.740 -0.169 0.000 0.184 233 N C 0.218 175.476 175.510 -0.420 0.000 1.101 233 N CA 0.975 53.865 53.050 -0.266 0.000 0.881 233 N CB -0.034 38.157 38.487 -0.493 0.000 0.969 233 N HN -0.313 8.053 8.380 0.066 0.054 0.459 234 Y N -4.355 116.013 120.300 0.113 0.000 2.500 234 Y HA 0.168 4.855 4.550 0.228 0.000 0.246 234 Y C 0.229 176.264 175.900 0.226 0.000 1.146 234 Y CA -0.432 57.794 58.100 0.209 0.000 1.230 234 Y CB 0.239 38.843 38.460 0.241 0.000 1.214 234 Y HN -0.189 8.026 8.280 0.193 0.180 0.526 235 V N 0.867 120.915 119.914 0.223 0.000 2.332 235 V HA -0.561 3.652 4.120 0.155 0.000 0.248 235 V C 1.472 177.636 176.094 0.116 0.000 1.055 235 V CA 4.992 67.380 62.300 0.146 0.000 1.038 235 V CB -0.565 31.307 31.823 0.080 0.000 0.651 235 V HN -0.649 7.634 8.190 0.155 0.000 0.450 236 S N -0.039 115.731 115.700 0.115 0.000 2.356 236 S HA -0.351 4.141 4.470 0.038 0.000 0.223 236 S C 1.797 176.470 174.600 0.121 0.000 1.032 236 S CA 3.061 61.312 58.200 0.086 0.000 1.005 236 S CB -0.482 62.765 63.200 0.078 0.000 0.867 236 S HN 0.066 8.441 8.310 0.109 0.000 0.449 237 W N 4.338 125.671 121.300 0.055 0.000 2.335 237 W HA -0.169 4.512 4.660 0.036 0.000 0.311 237 W C 1.523 178.054 176.519 0.020 0.000 1.213 237 W CA 3.113 60.501 57.345 0.072 0.000 1.274 237 W CB -0.116 29.469 29.460 0.209 0.000 1.148 237 W HN -0.372 8.035 8.180 0.378 0.000 0.498 238 I N -1.097 119.478 120.570 0.008 0.000 2.099 238 I HA -0.769 2.999 4.170 -0.669 0.000 0.239 238 I C 1.851 177.743 176.117 -0.374 0.000 1.066 238 I CA 4.621 65.741 61.300 -0.300 0.000 1.324 238 I CB -0.240 37.743 38.000 -0.029 0.000 1.037 238 I HN 0.544 8.953 8.210 0.331 0.000 0.401 239 K N -1.121 119.158 120.400 -0.202 0.000 2.063 239 K HA -0.447 3.733 4.320 -0.234 0.000 0.208 239 K C 2.820 179.278 176.600 -0.237 0.000 1.048 239 K CA 3.787 59.955 56.287 -0.199 0.000 0.928 239 K CB -0.387 32.053 32.500 -0.100 0.000 0.713 239 K HN -0.134 8.061 8.250 -0.092 0.000 0.442 240 Q N -1.748 117.921 119.800 -0.219 0.000 2.046 240 Q HA -0.291 3.958 4.340 -0.151 0.000 0.200 240 Q C 2.612 178.421 176.000 -0.318 0.000 0.975 240 Q CA 3.523 59.204 55.803 -0.203 0.000 0.836 240 Q CB 0.076 28.742 28.738 -0.119 0.000 0.896 240 Q HN 0.360 8.418 8.270 -0.175 0.108 0.428 241 T N 2.924 117.157 114.554 -0.535 0.000 2.746 241 T HA -0.269 3.839 4.350 -0.403 0.000 0.267 241 T C 2.478 176.839 174.700 -0.565 0.000 1.039 241 T CA 4.917 66.660 62.100 -0.596 0.000 1.142 241 T CB -0.196 68.041 68.868 -1.051 0.000 0.866 241 T HN 0.185 7.918 8.240 -0.666 0.108 0.444 242 I N 1.126 121.261 120.570 -0.726 0.000 2.202 242 I HA -0.461 2.959 4.170 -1.250 0.000 0.242 242 I C 1.606 177.510 176.117 -0.355 0.000 1.091 242 I CA 3.796 64.574 61.300 -0.871 0.000 1.368 242 I CB -0.427 36.982 38.000 -0.984 0.000 1.058 242 I HN 0.194 7.979 8.210 -0.708 0.000 0.410 243 A N -0.349 122.311 122.820 -0.267 0.000 1.978 243 A HA -0.256 4.010 4.320 -0.090 0.000 0.220 243 A C 1.499 179.035 177.584 -0.079 0.000 1.170 243 A CA 2.849 54.808 52.037 -0.130 0.000 0.636 243 A CB -0.490 18.442 19.000 -0.112 0.000 0.810 243 A HN -0.029 7.933 8.150 -0.314 0.000 0.448 244 S N -4.730 110.912 115.700 -0.097 0.000 2.577 244 S HA 0.109 4.567 4.470 -0.020 0.000 0.219 244 S C -0.507 174.099 174.600 0.010 0.000 0.962 244 S CA 0.794 58.971 58.200 -0.040 0.000 0.921 244 S CB 0.811 63.979 63.200 -0.052 0.000 0.789 244 S HN -0.338 7.765 8.310 -0.162 0.110 0.497 245 N N 0.000 118.735 118.700 0.058 0.000 1.763 245 N HA 0.000 4.812 4.740 0.121 0.000 0.220 245 N CA 0.000 53.158 53.050 0.179 0.000 0.885 245 N CB 0.000 38.661 38.487 0.291 0.000 1.341 245 N HN 0.000 8.231 8.380 0.024 0.164 0.667