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 1tpo_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQV DATA SEQUENCE RLXGEDNINV 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 4.170 4.170 0.000 0.000 0.288 16 I C 0.000 176.099 176.117 -0.029 0.000 1.063 16 I CA 0.000 61.283 61.300 -0.029 0.000 1.566 16 I CB 0.000 37.959 38.000 -0.068 0.000 1.214 17 V N 3.872 123.785 119.914 -0.002 0.000 2.427 17 V HA 0.752 4.874 4.120 0.003 0.000 0.286 17 V C 1.118 177.218 176.094 0.010 0.000 1.034 17 V CA 0.497 62.796 62.300 -0.003 0.000 0.893 17 V CB 1.217 33.044 31.823 0.007 0.000 0.982 17 V HN 1.170 9.360 8.190 0.000 0.000 0.452 18 G N 3.189 111.990 108.800 0.002 0.000 2.141 18 G HA2 -0.120 3.842 3.960 0.003 0.000 0.242 18 G HA3 -0.120 3.842 3.960 0.003 0.000 0.242 18 G C 0.414 175.331 174.900 0.029 0.000 0.982 18 G CA 0.179 45.281 45.100 0.003 0.000 0.662 18 G HN 1.321 9.611 8.290 0.000 0.000 0.527 19 G N -0.750 108.070 108.800 0.033 0.000 3.008 19 G HA2 0.890 4.852 3.960 0.003 0.000 0.181 19 G HA3 0.890 4.852 3.960 0.003 0.000 0.181 19 G C -0.401 174.574 174.900 0.126 0.000 1.309 19 G CA -0.422 44.726 45.100 0.079 0.000 1.009 19 G HN 1.260 9.550 8.290 0.000 0.000 0.584 20 Y N -2.929 117.353 120.300 -0.031 0.000 2.609 20 Y HA 0.689 5.240 4.550 0.001 0.000 0.342 20 Y C -0.270 175.605 175.900 -0.042 0.000 1.058 20 Y CA -1.286 56.795 58.100 -0.031 0.000 1.055 20 Y CB 0.942 39.386 38.460 -0.025 0.000 1.292 20 Y HN 0.366 8.646 8.280 0.000 0.000 0.476 21 T N 1.772 116.350 114.554 0.041 0.000 2.738 21 T HA 0.080 4.432 4.350 0.003 0.000 0.293 21 T C 0.840 175.509 174.700 -0.051 0.000 0.913 21 T CA -0.334 61.734 62.100 -0.052 0.000 1.103 21 T CB 0.187 69.067 68.868 0.020 0.000 0.880 21 T HN 0.920 9.160 8.240 0.000 0.000 0.526 22 c N 2.843 121.312 118.600 -0.218 0.000 2.385 22 c HA 0.224 4.796 4.570 0.003 0.000 0.275 22 c C 1.751 175.832 174.090 -0.015 0.000 1.207 22 c CA 0.834 57.059 56.329 -0.173 0.000 1.760 22 c CB -1.611 40.755 42.510 -0.240 0.000 2.051 22 c HN 1.256 9.486 8.230 0.000 0.000 0.467 23 G N -1.115 107.669 108.800 -0.026 0.000 2.770 23 G HA2 0.412 4.374 3.960 0.003 0.000 0.686 23 G HA3 0.412 4.374 3.960 0.003 0.000 0.686 23 G C -0.487 174.407 174.900 -0.011 0.000 1.180 23 G CA -0.442 44.660 45.100 0.004 0.000 0.767 23 G HN 1.159 9.449 8.290 0.000 0.000 0.646 24 A N 2.222 125.047 122.820 0.007 0.000 2.545 24 A HA 0.484 4.806 4.320 0.003 0.000 0.253 24 A C 1.455 179.040 177.584 0.001 0.000 1.074 24 A CA 1.090 53.136 52.037 0.014 0.000 0.760 24 A CB -0.217 18.800 19.000 0.028 0.000 1.005 24 A HN 2.040 10.190 8.150 0.000 0.000 0.506 25 N N 1.097 119.792 118.700 -0.008 0.000 2.725 25 N HA -0.187 4.555 4.740 0.003 0.000 0.249 25 N C 0.889 176.374 175.510 -0.041 0.000 1.103 25 N CA 1.607 54.644 53.050 -0.023 0.000 0.707 25 N CB -1.815 36.670 38.487 -0.003 0.000 1.043 25 N HN 1.083 9.463 8.380 0.000 0.000 0.553 26 T N -4.194 110.328 114.554 -0.054 0.000 3.113 26 T HA 0.197 4.549 4.350 0.003 0.000 0.256 26 T C 0.829 175.467 174.700 -0.104 0.000 1.131 26 T CA 0.463 62.534 62.100 -0.049 0.000 1.074 26 T CB 0.348 69.204 68.868 -0.021 0.000 0.944 26 T HN 0.035 8.275 8.240 0.000 0.000 0.516 27 V N 3.127 122.916 119.914 -0.207 0.000 2.271 27 V HA 0.313 4.435 4.120 0.003 0.000 0.259 27 V C -1.835 173.903 176.094 -0.594 0.000 1.030 27 V CA -1.575 60.456 62.300 -0.449 0.000 0.957 27 V CB 0.909 32.443 31.823 -0.482 0.000 1.186 27 V HN 0.173 8.363 8.190 0.000 0.000 0.471 28 P HA -0.107 4.313 4.420 0.000 0.000 0.226 28 P C 1.101 178.335 177.300 -0.110 0.000 1.153 28 P CA 0.999 64.009 63.100 -0.151 0.000 0.777 28 P CB -0.031 31.661 31.700 -0.014 0.000 0.794 29 Y N -1.267 119.054 120.300 0.036 0.000 2.490 29 Y HA 0.319 4.871 4.550 0.002 0.000 0.281 29 Y C 1.028 176.962 175.900 0.057 0.000 1.174 29 Y CA -1.026 57.101 58.100 0.046 0.000 1.295 29 Y CB -1.322 37.162 38.460 0.039 0.000 1.062 29 Y HN -0.136 8.144 8.280 0.000 0.000 0.522 30 Q N 2.661 122.332 119.800 -0.215 0.000 2.288 30 Q HA 0.422 4.764 4.340 0.003 0.000 0.258 30 Q C -0.438 175.634 176.000 0.120 0.000 0.957 30 Q CA -0.544 55.229 55.803 -0.049 0.000 0.919 30 Q CB 1.348 29.953 28.738 -0.222 0.000 1.185 30 Q HN 0.356 8.626 8.270 0.000 0.000 0.408 31 V N 1.494 121.520 119.914 0.188 0.000 2.994 31 V HA 0.865 4.987 4.120 0.003 0.000 0.318 31 V C -0.831 175.449 176.094 0.309 0.000 1.085 31 V CA -0.480 61.948 62.300 0.212 0.000 0.998 31 V CB 2.062 33.965 31.823 0.132 0.000 1.063 31 V HN 0.783 8.973 8.190 0.000 0.000 0.447 32 S N 2.924 118.735 115.700 0.185 0.000 2.473 32 S HA 0.676 5.148 4.470 0.003 0.000 0.307 32 S C -0.840 173.717 174.600 -0.071 0.000 1.094 32 S CA -0.795 57.478 58.200 0.121 0.000 1.070 32 S CB 0.871 63.980 63.200 -0.152 0.000 1.019 32 S HN 0.837 9.147 8.310 0.000 0.000 0.480 33 L N 5.211 126.274 121.223 -0.267 0.000 2.264 33 L HA 0.499 4.840 4.340 0.003 0.000 0.289 33 L C 0.615 177.130 176.870 -0.591 0.000 1.044 33 L CA -0.628 53.925 54.840 -0.479 0.000 0.807 33 L CB 0.862 42.431 42.059 -0.817 0.000 1.192 33 L HN 0.681 8.911 8.230 0.000 0.000 0.425 38 G N 0.530 109.133 108.800 -0.328 0.000 2.201 38 G HA2 -0.037 3.925 3.960 0.003 0.000 0.212 38 G HA3 -0.037 3.925 3.960 0.003 0.000 0.212 38 G C -0.217 174.680 174.900 -0.006 0.000 0.994 38 G CA 0.529 45.548 45.100 -0.135 0.000 0.644 38 G HN 1.957 10.247 8.290 0.000 0.000 0.508 39 Y N -2.365 117.916 120.300 -0.032 0.000 2.687 39 Y HA 0.679 5.230 4.550 0.003 0.000 0.338 39 Y C -0.509 175.406 175.900 0.025 0.000 1.189 39 Y CA -1.380 56.708 58.100 -0.021 0.000 1.097 39 Y CB 0.105 38.550 38.460 -0.024 0.000 1.342 39 Y HN 0.439 8.719 8.280 0.000 0.000 0.461 40 H N 2.741 121.846 119.070 0.059 0.000 2.929 40 H HA 0.303 4.860 4.556 0.003 0.000 0.317 40 H C -0.078 175.356 175.328 0.176 0.000 1.031 40 H CA 0.306 56.326 56.048 -0.047 0.000 1.466 40 H CB 0.522 30.196 29.762 -0.146 0.000 1.482 40 H HN 0.671 8.951 8.280 0.000 0.000 0.561 41 F N 1.008 120.557 119.950 -0.669 0.000 2.747 41 F HA 0.424 4.953 4.527 0.003 0.000 0.305 41 F C -0.283 175.253 175.800 -0.439 0.000 1.065 41 F CA -0.640 57.138 58.000 -0.370 0.000 1.230 41 F CB 0.176 39.122 39.000 -0.091 0.000 1.027 41 F HN 0.459 8.759 8.300 0.000 0.000 0.607 42 c N 0.798 118.680 118.600 -1.197 0.000 3.239 42 c HA 0.769 5.341 4.570 0.003 0.000 0.317 42 c C 0.773 174.714 174.090 -0.248 0.000 1.310 42 c CA -0.477 55.542 56.329 -0.517 0.000 1.371 42 c CB 1.133 43.372 42.510 -0.452 0.000 1.714 42 c HN 0.717 8.947 8.230 0.000 0.000 0.473 43 G N 0.101 108.948 108.800 0.079 0.000 2.531 43 G HA2 0.793 4.755 3.960 0.003 0.000 0.281 43 G HA3 0.793 4.755 3.960 0.003 0.000 0.281 43 G C -0.115 174.828 174.900 0.072 0.000 1.382 43 G CA 0.250 45.470 45.100 0.201 0.000 1.045 43 G HN 1.486 9.776 8.290 0.000 0.000 0.533 44 G N -2.340 106.533 108.800 0.121 0.000 2.441 44 G HA2 0.492 4.454 3.960 0.003 0.000 0.294 44 G HA3 0.492 4.454 3.960 0.003 0.000 0.294 44 G C -1.483 173.508 174.900 0.151 0.000 1.393 44 G CA -0.232 44.930 45.100 0.103 0.000 0.796 44 G HN 0.883 9.173 8.290 0.000 0.000 0.494 45 S N -0.638 115.155 115.700 0.155 0.000 2.594 45 S HA 0.502 4.974 4.470 0.003 0.000 0.296 45 S C -0.782 173.923 174.600 0.175 0.000 1.124 45 S CA -0.476 57.845 58.200 0.202 0.000 1.011 45 S CB 1.622 64.921 63.200 0.165 0.000 1.016 45 S HN 0.765 9.075 8.310 0.000 0.000 0.485 46 L N 5.517 126.860 121.223 0.201 0.000 2.385 46 L HA 0.400 4.742 4.340 0.003 0.000 0.281 46 L C 0.707 177.665 176.870 0.147 0.000 1.106 46 L CA 0.328 55.269 54.840 0.168 0.000 0.856 46 L CB -0.064 42.091 42.059 0.160 0.000 1.186 46 L HN 0.811 9.041 8.230 0.000 0.000 0.453 47 I N 1.952 122.603 120.570 0.135 0.000 3.941 47 I HA 0.302 4.474 4.170 0.003 0.000 0.321 47 I C 0.326 176.501 176.117 0.097 0.000 1.284 47 I CA -0.090 61.268 61.300 0.096 0.000 1.226 47 I CB -0.252 37.790 38.000 0.071 0.000 1.045 47 I HN 0.708 8.918 8.210 0.000 0.000 0.420 48 N N 0.351 119.134 118.700 0.138 0.000 3.378 48 N HA 0.032 4.774 4.740 0.003 0.000 0.294 48 N C 0.284 175.875 175.510 0.134 0.000 1.544 48 N CA 0.116 53.241 53.050 0.125 0.000 0.872 48 N CB 0.742 39.304 38.487 0.125 0.000 1.670 48 N HN -0.044 8.336 8.380 0.000 0.000 0.551 49 S N -1.133 114.634 115.700 0.110 0.000 2.442 49 S HA -0.158 4.314 4.470 0.003 0.000 0.236 49 S C 1.056 175.693 174.600 0.062 0.000 1.007 49 S CA 1.134 59.382 58.200 0.079 0.000 0.965 49 S CB -0.349 62.884 63.200 0.056 0.000 0.773 49 S HN 0.608 8.918 8.310 0.000 0.000 0.504 50 Q N -1.196 118.659 119.800 0.091 0.000 2.164 50 Q HA 0.270 4.612 4.340 0.003 0.000 0.226 50 Q C -1.353 174.529 176.000 -0.196 0.000 0.813 50 Q CA -0.259 55.507 55.803 -0.061 0.000 0.978 50 Q CB 0.739 29.409 28.738 -0.113 0.000 1.149 50 Q HN 0.620 8.890 8.270 0.000 0.000 0.489 51 W N 0.206 121.511 121.300 0.008 0.000 2.785 51 W HA 0.527 5.189 4.660 0.003 0.000 0.333 51 W C -0.713 175.818 176.519 0.020 0.000 1.062 51 W CA -0.596 56.751 57.345 0.004 0.000 1.233 51 W CB 1.505 30.955 29.460 -0.017 0.000 1.413 51 W HN -0.349 7.831 8.180 0.000 0.000 0.489 52 V N 3.757 123.837 119.914 0.276 0.000 2.555 52 V HA 0.500 4.622 4.120 0.003 0.000 0.302 52 V C -0.820 175.391 176.094 0.195 0.000 1.038 52 V CA -1.163 61.250 62.300 0.190 0.000 0.887 52 V CB 1.799 33.693 31.823 0.118 0.000 0.991 52 V HN 0.314 8.504 8.190 0.000 0.000 0.434 53 V N 4.511 124.519 119.914 0.155 0.000 2.435 53 V HA 0.796 4.918 4.120 0.003 0.000 0.290 53 V C 0.039 176.198 176.094 0.107 0.000 1.030 53 V CA 0.497 62.880 62.300 0.139 0.000 0.881 53 V CB 1.832 33.731 31.823 0.128 0.000 0.983 53 V HN 1.006 9.196 8.190 0.000 0.000 0.445 54 S N 4.445 120.197 115.700 0.086 0.000 2.851 54 S HA 0.887 5.359 4.470 0.003 0.000 0.317 54 S C -0.398 174.196 174.600 -0.010 0.000 1.144 54 S CA -0.060 58.161 58.200 0.034 0.000 0.862 54 S CB 1.794 65.000 63.200 0.010 0.000 1.259 54 S HN 1.354 9.664 8.310 0.000 0.000 0.564 55 A N 0.747 123.516 122.820 -0.086 0.000 2.301 55 A HA 0.695 5.017 4.320 0.003 0.000 0.298 55 A C 1.139 178.590 177.584 -0.222 0.000 1.185 55 A CA 0.154 52.089 52.037 -0.170 0.000 0.830 55 A CB 0.304 19.096 19.000 -0.345 0.000 1.112 55 A HN 1.213 9.363 8.150 0.000 0.000 0.508 56 A N 1.592 124.234 122.820 -0.296 0.000 1.978 56 A HA -0.202 4.120 4.320 0.003 0.000 0.220 56 A C 1.775 179.115 177.584 -0.408 0.000 1.170 56 A CA 1.864 53.603 52.037 -0.496 0.000 0.636 56 A CB -1.015 17.305 19.000 -1.133 0.000 0.810 56 A HN 1.116 9.266 8.150 0.000 0.000 0.448 57 H N -2.133 116.790 119.070 -0.244 0.000 2.567 57 H HA -0.018 4.540 4.556 0.002 0.000 0.276 57 H C 1.264 176.651 175.328 0.099 0.000 1.016 57 H CA 1.193 57.260 56.048 0.031 0.000 1.186 57 H CB -0.497 29.347 29.762 0.136 0.000 1.351 57 H HN 0.419 8.699 8.280 0.000 0.000 0.605 58 c N 0.749 119.251 118.600 -0.164 0.000 2.696 58 c HA 0.070 4.642 4.570 0.003 0.000 0.264 58 c C 0.920 175.103 174.090 0.155 0.000 1.288 58 c CA -0.641 55.718 56.329 0.050 0.000 1.717 58 c CB -1.977 40.520 42.510 -0.021 0.000 1.893 58 c HN 0.605 8.835 8.230 0.000 0.000 0.577 59 Y N 3.261 123.568 120.300 0.012 0.000 2.810 59 Y HA 0.143 4.694 4.550 0.003 0.000 0.332 59 Y C 0.449 176.339 175.900 -0.017 0.000 1.243 59 Y CA 1.166 59.274 58.100 0.013 0.000 1.537 59 Y CB 0.106 38.558 38.460 -0.012 0.000 1.265 59 Y HN 0.229 8.509 8.280 0.000 0.000 0.572 60 K N 3.770 123.612 120.400 -0.931 0.000 2.533 60 K HA 0.300 4.622 4.320 0.003 0.000 0.272 60 K C -1.169 174.876 176.600 -0.925 0.000 0.985 60 K CA -1.070 54.709 56.287 -0.847 0.000 0.876 60 K CB 2.153 34.263 32.500 -0.649 0.000 1.452 60 K HN 0.580 8.830 8.250 0.000 0.000 0.439 61 S N -0.741 114.623 115.700 -0.561 0.000 2.610 61 S HA 0.494 4.966 4.470 0.003 0.000 0.273 61 S C 0.595 175.065 174.600 -0.216 0.000 1.274 61 S CA 0.948 58.974 58.200 -0.290 0.000 1.023 61 S CB 0.628 63.748 63.200 -0.135 0.000 0.962 61 S HN 0.837 9.147 8.310 0.000 0.000 0.523 62 G N 2.930 111.646 108.800 -0.139 0.000 2.225 62 G HA2 -0.192 3.770 3.960 0.003 0.000 0.264 62 G HA3 -0.192 3.770 3.960 0.003 0.000 0.264 62 G C -0.060 174.767 174.900 -0.121 0.000 1.060 62 G CA 0.199 45.227 45.100 -0.120 0.000 0.833 62 G HN 0.737 9.027 8.290 0.000 0.000 0.498 63 I N 0.135 120.651 120.570 -0.091 0.000 2.474 63 I HA 0.277 4.449 4.170 0.003 0.000 0.287 63 I C 0.737 176.827 176.117 -0.045 0.000 1.048 63 I CA -0.152 61.131 61.300 -0.028 0.000 1.383 63 I CB 1.413 39.429 38.000 0.026 0.000 1.412 63 I HN 0.292 8.502 8.210 0.000 0.000 0.531 64 Q N 5.482 125.246 119.800 -0.060 0.000 2.293 64 Q HA 0.446 4.788 4.340 0.003 0.000 0.261 64 Q C -1.382 174.571 176.000 -0.078 0.000 0.960 64 Q CA -0.757 55.002 55.803 -0.074 0.000 0.882 64 Q CB 2.005 30.675 28.738 -0.115 0.000 1.275 64 Q HN 0.505 8.775 8.270 0.000 0.000 0.445 65 V N 4.839 124.729 119.914 -0.040 0.000 2.461 65 V HA 0.370 4.492 4.120 0.003 0.000 0.275 65 V C -0.075 176.036 176.094 0.028 0.000 1.047 65 V CA -0.331 61.957 62.300 -0.019 0.000 0.955 65 V CB 1.004 32.829 31.823 0.002 0.000 0.988 65 V HN 0.725 8.915 8.190 0.000 0.000 0.471 66 R N 5.514 126.020 120.500 0.010 0.000 2.246 66 R HA 0.634 4.976 4.340 0.003 0.000 0.332 66 R C -0.874 175.522 176.300 0.161 0.000 0.974 66 R CA -0.473 55.700 56.100 0.121 0.000 0.837 66 R CB 1.200 31.440 30.300 -0.100 0.000 1.145 66 R HN 0.596 8.866 8.270 0.000 0.000 0.467 70 E N 0.435 120.733 120.200 0.163 0.000 2.313 70 E HA 0.400 4.752 4.350 0.003 0.000 0.272 70 E C 0.058 176.824 176.600 0.277 0.000 1.038 70 E CA -0.233 56.278 56.400 0.185 0.000 0.863 70 E CB 2.522 32.274 29.700 0.087 0.000 1.060 70 E HN 0.160 8.520 8.360 0.000 0.000 0.402 71 D N 0.517 121.055 120.400 0.230 0.000 3.203 71 D HA -0.066 4.576 4.640 0.003 0.000 0.249 71 D C -0.069 176.424 176.300 0.322 0.000 1.522 71 D CA -0.021 54.144 54.000 0.276 0.000 1.248 71 D CB 0.305 41.186 40.800 0.135 0.000 1.126 71 D HN 0.225 8.595 8.370 0.000 0.000 0.326 72 N N 1.502 120.299 118.700 0.161 0.000 2.439 72 N HA 0.069 4.811 4.740 0.003 0.000 0.243 72 N C 1.248 176.745 175.510 -0.022 0.000 1.088 72 N CA -0.095 53.013 53.050 0.097 0.000 0.940 72 N CB 0.410 38.938 38.487 0.068 0.000 1.180 72 N HN 0.433 8.813 8.380 0.000 0.000 0.505 73 I N 0.032 120.488 120.570 -0.191 0.000 3.164 73 I HA -0.033 4.139 4.170 0.003 0.000 0.278 73 I C 0.329 176.344 176.117 -0.170 0.000 1.320 73 I CA 0.790 61.882 61.300 -0.347 0.000 1.422 73 I CB -0.077 37.491 38.000 -0.720 0.000 1.066 73 I HN 0.174 8.384 8.210 0.000 0.000 0.503 74 N N 0.548 119.201 118.700 -0.079 0.000 2.184 74 N HA 0.255 4.997 4.740 0.003 0.000 0.206 74 N C -0.317 175.190 175.510 -0.004 0.000 1.151 74 N CA 0.252 53.279 53.050 -0.039 0.000 0.878 74 N CB 1.641 40.118 38.487 -0.017 0.000 1.014 74 N HN 0.185 8.565 8.380 0.000 0.000 0.512 75 V N 1.169 121.089 119.914 0.010 0.000 2.656 75 V HA 0.369 4.491 4.120 0.003 0.000 0.307 75 V C 0.059 176.181 176.094 0.047 0.000 1.051 75 V CA -0.904 61.413 62.300 0.028 0.000 0.893 75 V CB 2.640 34.479 31.823 0.027 0.000 0.999 75 V HN -0.300 7.890 8.190 0.000 0.000 0.426 76 V N 4.135 124.079 119.914 0.051 0.000 2.389 76 V HA 0.236 4.358 4.120 0.003 0.000 0.264 76 V C 0.883 176.986 176.094 0.015 0.000 1.049 76 V CA 0.211 62.538 62.300 0.046 0.000 0.932 76 V CB 0.658 32.507 31.823 0.044 0.000 1.011 76 V HN 1.032 9.222 8.190 0.000 0.000 0.475 77 E N 3.401 123.607 120.200 0.011 0.000 2.526 77 E HA 0.309 4.661 4.350 0.003 0.000 0.208 77 E C 1.556 178.151 176.600 -0.008 0.000 0.997 77 E CA 0.612 57.016 56.400 0.008 0.000 0.961 77 E CB 1.008 30.721 29.700 0.021 0.000 1.030 77 E HN 1.001 9.361 8.360 0.000 0.000 0.483 78 G N 1.546 110.328 108.800 -0.030 0.000 2.352 78 G HA2 -0.195 3.766 3.960 0.003 0.000 0.204 78 G HA3 -0.195 3.766 3.960 0.003 0.000 0.204 78 G C 0.790 175.657 174.900 -0.054 0.000 1.004 78 G CA -0.180 44.895 45.100 -0.042 0.000 0.648 78 G HN 0.133 8.423 8.290 0.000 0.000 0.491 79 N N 1.220 119.895 118.700 -0.042 0.000 2.236 79 N HA 0.178 4.920 4.740 0.003 0.000 0.196 79 N C 0.047 175.518 175.510 -0.065 0.000 1.114 79 N CA 0.313 53.340 53.050 -0.040 0.000 0.859 79 N CB 0.603 39.084 38.487 -0.009 0.000 0.982 79 N HN 0.570 8.950 8.380 0.000 0.000 0.493 80 E N 1.029 121.154 120.200 -0.127 0.000 2.366 80 E HA 0.179 4.530 4.350 0.003 0.000 0.266 80 E C -0.222 176.199 176.600 -0.298 0.000 1.051 80 E CA 0.249 56.526 56.400 -0.204 0.000 0.884 80 E CB 0.813 30.293 29.700 -0.367 0.000 1.006 80 E HN 0.073 8.433 8.360 0.000 0.000 0.417 81 Q N 2.018 121.699 119.800 -0.198 0.000 2.309 81 Q HA 0.389 4.731 4.340 0.003 0.000 0.270 81 Q C -1.089 174.957 176.000 0.076 0.000 1.023 81 Q CA -0.231 55.488 55.803 -0.140 0.000 0.758 81 Q CB 1.478 30.197 28.738 -0.033 0.000 1.247 81 Q HN 0.492 8.762 8.270 0.000 0.000 0.455 82 F N 3.978 123.913 119.950 -0.025 0.000 2.347 82 F HA 0.546 5.075 4.527 0.003 0.000 0.366 82 F C -0.053 175.727 175.800 -0.033 0.000 1.107 82 F CA -0.934 57.047 58.000 -0.033 0.000 1.058 82 F CB 0.965 39.943 39.000 -0.037 0.000 1.236 82 F HN 0.286 8.586 8.300 0.000 0.000 0.456 83 I N 2.218 122.874 120.570 0.143 0.000 2.466 83 I HA 0.239 4.411 4.170 0.003 0.000 0.289 83 I C -0.173 175.954 176.117 0.016 0.000 1.026 83 I CA -0.590 60.743 61.300 0.054 0.000 1.078 83 I CB 2.076 40.090 38.000 0.024 0.000 1.249 83 I HN 0.411 8.621 8.210 0.000 0.000 0.429 84 S N 3.717 119.415 115.700 -0.004 0.000 2.579 84 S HA 0.436 4.908 4.470 0.003 0.000 0.275 84 S C 0.334 174.904 174.600 -0.049 0.000 1.345 84 S CA -0.684 57.499 58.200 -0.029 0.000 1.031 84 S CB 1.104 64.286 63.200 -0.030 0.000 0.892 84 S HN 0.700 9.010 8.310 0.000 0.000 0.529 85 A N 1.480 124.268 122.820 -0.054 0.000 2.363 85 A HA 0.436 4.758 4.320 0.003 0.000 0.270 85 A C 1.239 178.777 177.584 -0.076 0.000 1.121 85 A CA -0.360 51.633 52.037 -0.073 0.000 0.800 85 A CB 0.470 19.440 19.000 -0.050 0.000 1.052 85 A HN 0.775 8.925 8.150 0.000 0.000 0.493 86 S N 1.175 116.808 115.700 -0.112 0.000 2.421 86 S HA 0.121 4.593 4.470 0.003 0.000 0.224 86 S C 0.723 175.280 174.600 -0.071 0.000 1.035 86 S CA 1.089 59.232 58.200 -0.096 0.000 0.953 86 S CB -0.227 62.890 63.200 -0.139 0.000 0.810 86 S HN 0.771 9.081 8.310 0.000 0.000 0.497 87 K N 0.213 120.560 120.400 -0.089 0.000 2.542 87 K HA 0.448 4.770 4.320 0.003 0.000 0.259 87 K C -1.863 174.748 176.600 0.020 0.000 0.932 87 K CA -0.440 55.834 56.287 -0.022 0.000 0.820 87 K CB 1.908 34.384 32.500 -0.039 0.000 1.345 87 K HN 0.049 8.299 8.250 0.000 0.000 0.432 88 S N 4.132 119.899 115.700 0.111 0.000 2.532 88 S HA 0.615 5.087 4.470 0.003 0.000 0.299 88 S C -1.045 173.676 174.600 0.202 0.000 1.105 88 S CA -0.731 57.580 58.200 0.185 0.000 1.018 88 S CB 0.565 63.910 63.200 0.242 0.000 1.021 88 S HN 0.502 8.812 8.310 0.000 0.000 0.483 89 I N 4.735 125.443 120.570 0.230 0.000 2.382 89 I HA 0.381 4.553 4.170 0.003 0.000 0.285 89 I C -0.528 175.739 176.117 0.250 0.000 1.007 89 I CA -0.836 60.600 61.300 0.226 0.000 1.142 89 I CB 1.829 39.983 38.000 0.257 0.000 1.289 89 I HN 0.276 8.486 8.210 0.000 0.000 0.453 90 V N 5.445 125.436 119.914 0.129 0.000 2.546 90 V HA 0.120 4.242 4.120 0.003 0.000 0.284 90 V C 0.671 176.825 176.094 0.100 0.000 1.050 90 V CA -0.534 61.809 62.300 0.072 0.000 0.981 90 V CB 1.041 32.813 31.823 -0.085 0.000 0.990 90 V HN 0.626 8.816 8.190 0.000 0.000 0.474 91 H N 7.653 126.664 119.070 -0.099 0.000 3.140 91 H HA -0.018 4.540 4.556 0.004 0.000 0.316 91 H C -1.529 173.699 175.328 -0.166 0.000 0.986 91 H CA -0.688 55.108 56.048 -0.420 0.000 1.397 91 H CB 1.493 30.883 29.762 -0.621 0.000 1.377 91 H HN 0.410 8.690 8.280 0.000 0.000 0.585 92 P HA -0.091 4.329 4.420 0.000 0.000 0.219 92 P C 0.684 177.974 177.300 -0.016 0.000 1.146 92 P CA 1.086 64.064 63.100 -0.203 0.000 0.808 92 P CB 0.359 31.921 31.700 -0.232 0.000 0.779 93 S N -2.096 113.719 115.700 0.192 0.000 2.574 93 S HA 0.113 4.585 4.470 0.003 0.000 0.242 93 S C 0.109 174.825 174.600 0.193 0.000 0.982 93 S CA -0.629 57.695 58.200 0.208 0.000 0.977 93 S CB -0.920 62.406 63.200 0.210 0.000 0.814 93 S HN 0.180 8.490 8.310 0.000 0.000 0.464 94 Y N 3.280 123.631 120.300 0.085 0.000 2.544 94 Y HA 0.192 4.743 4.550 0.002 0.000 0.330 94 Y C 0.223 176.118 175.900 -0.009 0.000 1.136 94 Y CA 0.012 58.119 58.100 0.010 0.000 1.417 94 Y CB 0.318 38.780 38.460 0.003 0.000 1.229 94 Y HN 0.074 8.354 8.280 0.000 0.000 0.532 95 N N 3.987 122.298 118.700 -0.649 0.000 2.518 95 N HA 0.041 4.782 4.740 0.003 0.000 0.254 95 N C 0.187 175.180 175.510 -0.861 0.000 0.979 95 N CA 0.155 52.828 53.050 -0.629 0.000 0.930 95 N CB 1.456 39.769 38.487 -0.290 0.000 1.152 95 N HN 0.835 9.215 8.380 0.000 0.000 0.505 96 S N 2.701 117.890 115.700 -0.851 0.000 2.481 96 S HA -0.043 4.429 4.470 0.003 0.000 0.231 96 S C 1.099 175.525 174.600 -0.290 0.000 0.996 96 S CA 0.697 58.571 58.200 -0.543 0.000 0.942 96 S CB -0.149 62.926 63.200 -0.208 0.000 0.768 96 S HN 0.620 8.930 8.310 0.000 0.000 0.520 97 N N 1.217 119.752 118.700 -0.274 0.000 2.333 97 N HA -0.007 4.735 4.740 0.003 0.000 0.178 97 N C 1.754 177.106 175.510 -0.262 0.000 1.018 97 N CA 1.386 54.306 53.050 -0.217 0.000 0.882 97 N CB -0.064 38.322 38.487 -0.168 0.000 0.984 97 N HN 0.708 9.088 8.380 0.000 0.000 0.434 98 T N -1.650 112.741 114.554 -0.272 0.000 3.044 98 T HA 0.221 4.573 4.350 0.003 0.000 0.250 98 T C 0.935 175.434 174.700 -0.335 0.000 1.081 98 T CA -0.094 61.834 62.100 -0.286 0.000 1.040 98 T CB -0.027 68.731 68.868 -0.184 0.000 0.962 98 T HN 0.143 8.383 8.240 0.000 0.000 0.506 99 L N 0.450 121.504 121.223 -0.282 0.000 4.429 99 L HA -0.200 4.142 4.340 0.003 0.000 0.422 99 L C 0.442 177.333 176.870 0.036 0.000 1.149 99 L CA 0.319 55.094 54.840 -0.107 0.000 0.972 99 L CB -2.359 39.564 42.059 -0.226 0.000 2.059 99 L HN 0.577 8.807 8.230 0.000 0.000 0.870 100 N N 1.303 119.984 118.700 -0.032 0.000 2.492 100 N HA 0.072 4.814 4.740 0.003 0.000 0.262 100 N C 0.502 176.052 175.510 0.067 0.000 1.202 100 N CA 0.629 53.698 53.050 0.032 0.000 0.926 100 N CB 0.232 38.713 38.487 -0.009 0.000 1.078 100 N HN 0.355 8.735 8.380 0.000 0.000 0.454 101 N N 1.101 119.838 118.700 0.062 0.000 2.758 101 N HA -0.206 4.536 4.740 0.003 0.000 0.248 101 N C -1.485 174.000 175.510 -0.042 0.000 1.076 101 N CA 0.308 53.294 53.050 -0.106 0.000 0.696 101 N CB -0.848 37.480 38.487 -0.264 0.000 0.979 101 N HN 0.600 8.980 8.380 0.000 0.000 0.550 102 D N 1.189 121.616 120.400 0.045 0.000 2.551 102 D HA 0.385 5.027 4.640 0.003 0.000 0.223 102 D C -0.477 175.744 176.300 -0.131 0.000 1.144 102 D CA 0.188 54.219 54.000 0.052 0.000 1.025 102 D CB 0.060 41.006 40.800 0.242 0.000 1.085 102 D HN 0.447 8.817 8.370 0.000 0.000 0.506 103 I N 2.374 122.796 120.570 -0.247 0.000 2.722 103 I HA 0.359 4.531 4.170 0.003 0.000 0.292 103 I C -1.854 174.221 176.117 -0.070 0.000 1.267 103 I CA -0.822 60.354 61.300 -0.207 0.000 1.036 103 I CB 1.651 39.400 38.000 -0.419 0.000 1.281 103 I HN 0.155 8.365 8.210 0.000 0.000 0.423 104 M N 7.829 127.472 119.600 0.071 0.000 2.433 104 M HA 0.542 5.024 4.480 0.003 0.000 0.290 104 M C -2.205 174.246 176.300 0.251 0.000 1.173 104 M CA -0.597 54.816 55.300 0.187 0.000 0.905 104 M CB 2.341 34.991 32.600 0.082 0.000 1.692 104 M HN 0.486 8.776 8.290 0.000 0.000 0.462 105 L N 5.317 126.726 121.223 0.310 0.000 2.295 105 L HA 0.595 4.937 4.340 0.003 0.000 0.285 105 L C -1.101 175.965 176.870 0.327 0.000 1.035 105 L CA -0.570 54.449 54.840 0.298 0.000 0.806 105 L CB 1.742 43.914 42.059 0.189 0.000 1.214 105 L HN 0.670 8.900 8.230 0.000 0.000 0.426 106 I N 3.707 124.454 120.570 0.294 0.000 2.410 106 I HA 0.285 4.457 4.170 0.003 0.000 0.286 106 I C -0.163 175.904 176.117 -0.083 0.000 1.009 106 I CA -0.561 60.810 61.300 0.117 0.000 1.111 106 I CB 1.750 39.794 38.000 0.074 0.000 1.262 106 I HN 0.497 8.707 8.210 0.000 0.000 0.443 107 K N 7.007 127.119 120.400 -0.481 0.000 2.276 107 K HA 0.482 4.804 4.320 0.003 0.000 0.283 107 K C -0.680 175.629 176.600 -0.485 0.000 1.044 107 K CA -0.485 55.205 56.287 -0.996 0.000 0.944 107 K CB 0.807 32.432 32.500 -1.457 0.000 1.012 107 K HN 0.555 8.805 8.250 0.000 0.000 0.472 108 L N 5.016 125.992 121.223 -0.411 0.000 2.397 108 L HA 0.115 4.457 4.340 0.003 0.000 0.271 108 L C 1.429 178.179 176.870 -0.200 0.000 1.148 108 L CA -0.172 54.538 54.840 -0.218 0.000 0.825 108 L CB 0.818 42.791 42.059 -0.143 0.000 1.117 108 L HN 0.743 8.973 8.230 0.000 0.000 0.456 109 K N 0.686 121.010 120.400 -0.128 0.000 2.147 109 K HA -0.037 4.285 4.320 0.003 0.000 0.205 109 K C 0.175 176.727 176.600 -0.080 0.000 1.049 109 K CA 0.916 57.145 56.287 -0.097 0.000 0.936 109 K CB 0.080 32.543 32.500 -0.062 0.000 0.722 109 K HN 0.543 8.793 8.250 0.000 0.000 0.446 110 S N -0.626 115.032 115.700 -0.069 0.000 2.548 110 S HA 0.498 4.970 4.470 0.003 0.000 0.286 110 S C -1.037 173.534 174.600 -0.049 0.000 1.098 110 S CA -1.029 57.142 58.200 -0.049 0.000 0.930 110 S CB 2.044 65.226 63.200 -0.030 0.000 1.070 110 S HN 0.280 8.590 8.310 0.000 0.000 0.480 111 A N 1.724 124.523 122.820 -0.035 0.000 2.511 111 A HA 0.603 4.925 4.320 0.003 0.000 0.242 111 A C 0.629 178.210 177.584 -0.006 0.000 1.069 111 A CA -0.136 51.891 52.037 -0.017 0.000 0.763 111 A CB -0.326 18.674 19.000 -0.000 0.000 1.001 111 A HN 1.095 9.245 8.150 0.000 0.000 0.498 112 A N 2.582 125.405 122.820 0.006 0.000 2.425 112 A HA 0.502 4.824 4.320 0.003 0.000 0.242 112 A C 0.657 178.249 177.584 0.014 0.000 1.077 112 A CA -0.046 51.999 52.037 0.013 0.000 0.781 112 A CB 0.010 19.027 19.000 0.029 0.000 1.020 112 A HN 0.979 9.129 8.150 0.000 0.000 0.494 113 S N 1.563 117.268 115.700 0.008 0.000 2.404 113 S HA 0.396 4.867 4.470 0.003 0.000 0.309 113 S C -0.295 174.314 174.600 0.014 0.000 1.076 113 S CA -0.277 57.928 58.200 0.008 0.000 1.095 113 S CB -0.050 63.148 63.200 -0.003 0.000 0.972 113 S HN 0.487 8.797 8.310 0.000 0.000 0.484 114 L N 5.494 126.730 121.223 0.022 0.000 2.281 114 L HA 0.417 4.759 4.340 0.003 0.000 0.285 114 L C 0.724 177.609 176.870 0.025 0.000 1.074 114 L CA -0.497 54.361 54.840 0.030 0.000 0.817 114 L CB 0.216 42.298 42.059 0.039 0.000 1.168 114 L HN 0.666 8.896 8.230 0.000 0.000 0.434 115 N N 0.930 119.644 118.700 0.024 0.000 3.369 115 N HA 0.212 4.954 4.740 0.003 0.000 0.362 115 N C 0.760 176.285 175.510 0.025 0.000 1.523 115 N CA -0.089 52.974 53.050 0.020 0.000 0.684 115 N CB 0.519 39.013 38.487 0.012 0.000 1.796 115 N HN 0.360 8.740 8.380 0.000 0.000 0.641 116 S N -0.275 115.437 115.700 0.020 0.000 2.406 116 S HA -0.006 4.466 4.470 0.003 0.000 0.228 116 S C 1.580 176.193 174.600 0.021 0.000 1.020 116 S CA 0.554 58.768 58.200 0.023 0.000 0.965 116 S CB -0.320 62.890 63.200 0.017 0.000 0.798 116 S HN 0.544 8.854 8.310 0.000 0.000 0.488 117 R N 0.274 120.782 120.500 0.015 0.000 2.254 117 R HA 0.302 4.644 4.340 0.003 0.000 0.195 117 R C -0.571 175.736 176.300 0.012 0.000 0.957 117 R CA 0.264 56.369 56.100 0.009 0.000 1.024 117 R CB 0.380 30.684 30.300 0.006 0.000 0.952 117 R HN 0.267 8.537 8.270 0.000 0.000 0.484 118 V N 1.126 121.053 119.914 0.023 0.000 2.380 118 V HA 0.597 4.719 4.120 0.003 0.000 0.286 118 V C -0.595 175.531 176.094 0.053 0.000 1.015 118 V CA -0.763 61.559 62.300 0.036 0.000 0.834 118 V CB 1.295 33.138 31.823 0.033 0.000 1.009 118 V HN 0.169 8.359 8.190 0.000 0.000 0.428 119 A N 3.532 126.398 122.820 0.078 0.000 2.515 119 A HA 0.967 5.288 4.320 0.003 0.000 0.296 119 A C -0.061 177.608 177.584 0.141 0.000 1.094 119 A CA -0.449 51.647 52.037 0.099 0.000 0.718 119 A CB 2.050 21.111 19.000 0.102 0.000 1.307 119 A HN 0.908 9.058 8.150 0.000 0.000 0.408 120 S N 0.041 115.813 115.700 0.120 0.000 2.646 120 S HA 0.687 5.159 4.470 0.003 0.000 0.276 120 S C -0.297 174.363 174.600 0.100 0.000 1.222 120 S CA -0.405 57.870 58.200 0.126 0.000 1.014 120 S CB 1.081 64.334 63.200 0.089 0.000 0.991 120 S HN 1.096 9.406 8.310 0.000 0.000 0.533 121 I N 1.554 122.151 120.570 0.045 0.000 2.392 121 I HA 0.419 4.591 4.170 0.003 0.000 0.295 121 I C -0.018 176.056 176.117 -0.072 0.000 0.985 121 I CA -0.130 61.102 61.300 -0.113 0.000 1.221 121 I CB 1.567 39.304 38.000 -0.438 0.000 1.366 121 I HN 0.786 8.996 8.210 0.000 0.000 0.467 122 S N 6.871 122.528 115.700 -0.072 0.000 2.562 122 S HA 0.305 4.777 4.470 0.003 0.000 0.281 122 S C -0.211 174.362 174.600 -0.046 0.000 1.333 122 S CA -0.512 57.662 58.200 -0.043 0.000 1.052 122 S CB 0.353 63.532 63.200 -0.035 0.000 0.884 122 S HN 0.424 8.734 8.310 0.000 0.000 0.506 123 L N 4.470 125.680 121.223 -0.022 0.000 2.436 123 L HA 0.408 4.749 4.340 0.003 0.000 0.265 123 L C -1.851 175.015 176.870 -0.007 0.000 1.168 123 L CA -1.971 52.866 54.840 -0.005 0.000 0.815 123 L CB -0.485 41.576 42.059 0.003 0.000 1.109 123 L HN 0.394 8.624 8.230 0.000 0.000 0.462 124 P HA 0.275 4.695 4.420 0.000 0.000 0.276 124 P C -0.585 176.713 177.300 -0.003 0.000 1.244 124 P CA -0.431 62.666 63.100 -0.006 0.000 0.801 124 P CB 0.559 32.258 31.700 -0.002 0.000 1.006 128 c N 2.347 120.920 118.600 -0.045 0.000 2.527 128 c HA 0.835 5.407 4.570 0.003 0.000 0.396 128 c C 1.406 175.436 174.090 -0.100 0.000 1.289 128 c CA 0.125 56.413 56.329 -0.068 0.000 2.047 128 c CB -0.251 42.222 42.510 -0.061 0.000 2.568 128 c HN 1.092 9.322 8.230 0.000 0.000 0.573 129 A N 3.738 126.468 122.820 -0.150 0.000 2.371 129 A HA 0.582 4.903 4.320 0.003 0.000 0.257 129 A C 0.442 177.906 177.584 -0.201 0.000 1.089 129 A CA 0.019 51.953 52.037 -0.172 0.000 0.794 129 A CB 0.319 19.191 19.000 -0.213 0.000 1.029 129 A HN 0.877 9.027 8.150 0.000 0.000 0.488 133 G N 0.883 109.637 108.800 -0.076 0.000 2.232 133 G HA2 -0.071 3.891 3.960 0.003 0.000 0.226 133 G HA3 -0.071 3.891 3.960 0.003 0.000 0.226 133 G C 0.486 175.347 174.900 -0.066 0.000 0.996 133 G CA 0.475 45.539 45.100 -0.061 0.000 0.626 133 G HN 1.670 9.960 8.290 0.000 0.000 0.509 134 T N 1.838 116.340 114.554 -0.086 0.000 2.901 134 T HA 0.448 4.800 4.350 0.003 0.000 0.301 134 T C 0.234 174.888 174.700 -0.078 0.000 1.012 134 T CA 0.317 62.367 62.100 -0.083 0.000 1.135 134 T CB 1.697 70.500 68.868 -0.108 0.000 0.936 134 T HN 0.440 8.680 8.240 0.000 0.000 0.539 135 Q N 1.460 121.229 119.800 -0.052 0.000 2.256 135 Q HA 0.430 4.772 4.340 0.003 0.000 0.254 135 Q C -1.080 174.901 176.000 -0.031 0.000 0.916 135 Q CA -0.553 55.229 55.803 -0.034 0.000 0.932 135 Q CB 0.516 29.250 28.738 -0.006 0.000 1.207 135 Q HN 0.776 9.046 8.270 0.000 0.000 0.426 136 c N 2.677 121.260 118.600 -0.029 0.000 2.913 136 c HA 0.660 5.232 4.570 0.003 0.000 0.322 136 c C -0.974 173.121 174.090 0.007 0.000 1.292 136 c CA -0.904 55.410 56.329 -0.026 0.000 1.649 136 c CB 1.366 43.840 42.510 -0.059 0.000 2.139 136 c HN 0.843 9.073 8.230 0.000 0.000 0.475 137 L N 1.778 123.013 121.223 0.019 0.000 2.333 137 L HA 0.744 5.086 4.340 0.003 0.000 0.280 137 L C -0.970 175.911 176.870 0.019 0.000 1.004 137 L CA -0.039 54.826 54.840 0.042 0.000 0.820 137 L CB 0.694 42.799 42.059 0.077 0.000 1.247 137 L HN 0.582 8.812 8.230 0.000 0.000 0.416 138 I N 4.135 124.703 120.570 -0.003 0.000 2.441 138 I HA 0.643 4.815 4.170 0.003 0.000 0.295 138 I C -0.342 175.746 176.117 -0.049 0.000 0.994 138 I CA -0.169 61.124 61.300 -0.013 0.000 1.144 138 I CB 1.953 39.947 38.000 -0.010 0.000 1.314 138 I HN 0.748 8.958 8.210 0.000 0.000 0.445 139 S N 3.270 118.933 115.700 -0.061 0.000 2.588 139 S HA 1.010 5.482 4.470 0.003 0.000 0.275 139 S C -0.512 173.961 174.600 -0.211 0.000 1.130 139 S CA -0.757 57.331 58.200 -0.187 0.000 0.855 139 S CB 2.368 65.413 63.200 -0.258 0.000 1.116 139 S HN 1.109 9.419 8.310 0.000 0.000 0.472 140 G N -0.261 108.324 108.800 -0.359 0.000 2.313 140 G HA2 0.383 4.345 3.960 0.003 0.000 0.296 140 G HA3 0.383 4.345 3.960 0.003 0.000 0.296 140 G C -1.411 173.245 174.900 -0.407 0.000 1.356 140 G CA -0.819 44.072 45.100 -0.348 0.000 0.833 140 G HN 0.642 8.932 8.290 0.000 0.000 0.552 141 W N 1.204 122.448 121.300 -0.093 0.000 3.223 141 W HA 0.388 5.052 4.660 0.006 0.000 0.389 141 W C 1.102 177.637 176.519 0.028 0.000 1.118 141 W CA -0.094 57.174 57.345 -0.128 0.000 1.902 141 W CB 0.746 29.954 29.460 -0.419 0.000 1.094 141 W HN 0.801 8.981 8.180 0.000 0.000 0.666 142 G N 1.251 110.171 108.800 0.199 0.000 2.611 142 G HA2 -0.074 3.888 3.960 0.003 0.000 0.273 142 G HA3 -0.074 3.888 3.960 0.003 0.000 0.273 142 G C -0.020 174.763 174.900 -0.195 0.000 1.305 142 G CA -0.421 44.765 45.100 0.142 0.000 1.010 142 G HN -0.004 8.286 8.290 0.000 0.000 0.509 143 N N -0.954 117.433 118.700 -0.521 0.000 2.356 143 N HA 0.013 4.755 4.740 0.003 0.000 0.252 143 N C 1.450 176.796 175.510 -0.273 0.000 1.241 143 N CA 0.841 53.480 53.050 -0.684 0.000 0.861 143 N CB 0.858 39.020 38.487 -0.542 0.000 1.075 143 N HN 0.452 8.832 8.380 0.000 0.000 0.461 144 T N -0.826 113.600 114.554 -0.213 0.000 3.069 144 T HA 0.255 4.606 4.350 0.003 0.000 0.252 144 T C 0.099 174.760 174.700 -0.065 0.000 1.053 144 T CA -0.002 62.037 62.100 -0.101 0.000 0.964 144 T CB 0.121 68.948 68.868 -0.068 0.000 1.005 144 T HN 0.178 8.418 8.240 0.000 0.000 0.532 145 K N 1.745 122.101 120.400 -0.074 0.000 2.259 145 K HA 0.485 4.807 4.320 0.003 0.000 0.252 145 K C 1.037 177.626 176.600 -0.019 0.000 0.936 145 K CA -0.355 55.912 56.287 -0.033 0.000 0.810 145 K CB 1.937 34.424 32.500 -0.021 0.000 1.143 145 K HN 0.176 8.426 8.250 0.000 0.000 0.427 146 S N -0.242 115.457 115.700 -0.002 0.000 2.446 146 S HA 0.050 4.522 4.470 0.003 0.000 0.225 146 S C 0.430 175.040 174.600 0.016 0.000 1.016 146 S CA 0.215 58.422 58.200 0.011 0.000 0.943 146 S CB 0.180 63.389 63.200 0.015 0.000 0.786 146 S HN 0.360 8.670 8.310 0.000 0.000 0.508 147 S N 0.838 116.546 115.700 0.013 0.000 2.561 147 S HA 0.725 5.197 4.470 0.003 0.000 0.303 147 S C 0.192 174.804 174.600 0.019 0.000 1.110 147 S CA -0.304 57.907 58.200 0.018 0.000 1.034 147 S CB 1.183 64.393 63.200 0.017 0.000 1.010 147 S HN 1.125 9.435 8.310 0.000 0.000 0.482 148 G N 2.353 111.170 108.800 0.027 0.000 2.782 148 G HA2 -0.126 3.836 3.960 0.003 0.000 0.228 148 G HA3 -0.126 3.836 3.960 0.003 0.000 0.228 148 G C -0.703 174.219 174.900 0.036 0.000 1.372 148 G CA -0.618 44.503 45.100 0.035 0.000 0.862 148 G HN 0.817 9.107 8.290 0.000 0.000 0.547 149 T N 0.299 114.887 114.554 0.057 0.000 2.847 149 T HA 0.661 5.013 4.350 0.003 0.000 0.291 149 T C -0.344 174.413 174.700 0.095 0.000 0.998 149 T CA 0.398 62.558 62.100 0.100 0.000 0.967 149 T CB 1.531 70.503 68.868 0.174 0.000 0.954 149 T HN 1.448 9.688 8.240 0.000 0.000 0.441 150 S N 3.197 118.911 115.700 0.023 0.000 2.680 150 S HA 0.479 4.950 4.470 0.003 0.000 0.262 150 S C -1.586 173.013 174.600 -0.003 0.000 1.138 150 S CA -0.598 57.640 58.200 0.064 0.000 1.072 150 S CB 0.334 63.548 63.200 0.024 0.000 1.097 150 S HN 0.592 8.902 8.310 0.000 0.000 0.468 151 Y N 4.682 125.018 120.300 0.060 0.000 2.320 151 Y HA 0.473 5.026 4.550 0.005 0.000 0.334 151 Y C -1.662 174.284 175.900 0.077 0.000 1.055 151 Y CA -1.584 56.564 58.100 0.080 0.000 1.143 151 Y CB 1.124 39.639 38.460 0.091 0.000 1.193 151 Y HN 0.501 8.781 8.280 0.000 0.000 0.477 152 P HA 0.137 4.557 4.420 0.000 0.000 0.276 152 P C -0.498 176.927 177.300 0.208 0.000 1.244 152 P CA -0.265 62.923 63.100 0.147 0.000 0.801 152 P CB 1.460 33.219 31.700 0.099 0.000 1.006 153 D N -0.563 119.937 120.400 0.166 0.000 2.355 153 D HA 0.032 4.674 4.640 0.003 0.000 0.206 153 D C 0.705 177.161 176.300 0.260 0.000 1.010 153 D CA 0.614 54.709 54.000 0.158 0.000 0.875 153 D CB 0.288 41.138 40.800 0.084 0.000 0.966 153 D HN 0.256 8.626 8.370 0.000 0.000 0.512 154 V N -0.608 119.455 119.914 0.247 0.000 2.834 154 V HA 0.452 4.574 4.120 0.003 0.000 0.313 154 V C 0.027 176.177 176.094 0.095 0.000 1.060 154 V CA -1.271 61.181 62.300 0.253 0.000 0.989 154 V CB 1.877 33.769 31.823 0.115 0.000 1.041 154 V HN -0.151 8.039 8.190 0.000 0.000 0.459 155 L N 3.253 124.419 121.223 -0.095 0.000 2.410 155 L HA 0.424 4.766 4.340 0.003 0.000 0.273 155 L C 0.163 176.782 176.870 -0.417 0.000 1.152 155 L CA 0.608 55.064 54.840 -0.641 0.000 0.855 155 L CB -0.011 41.629 42.059 -0.699 0.000 1.129 155 L HN 0.739 8.969 8.230 0.000 0.000 0.463 156 K N 4.339 124.464 120.400 -0.460 0.000 2.207 156 K HA 0.501 4.823 4.320 0.003 0.000 0.255 156 K C -1.144 175.209 176.600 -0.411 0.000 0.941 156 K CA -0.456 55.620 56.287 -0.351 0.000 0.825 156 K CB 1.739 34.102 32.500 -0.228 0.000 1.119 156 K HN 0.592 8.842 8.250 0.000 0.000 0.430 157 c N 2.083 120.345 118.600 -0.564 0.000 2.614 157 c HA 0.658 5.229 4.570 0.003 0.000 0.320 157 c C -0.990 172.822 174.090 -0.464 0.000 1.200 157 c CA -0.795 55.170 56.329 -0.606 0.000 1.700 157 c CB 1.310 43.224 42.510 -0.994 0.000 2.275 157 c HN 0.718 8.948 8.230 0.000 0.000 0.492 158 L N 2.731 123.868 121.223 -0.144 0.000 2.470 158 L HA 0.515 4.857 4.340 0.003 0.000 0.268 158 L C -0.855 176.101 176.870 0.144 0.000 0.964 158 L CA -0.262 54.624 54.840 0.076 0.000 0.839 158 L CB 1.170 43.275 42.059 0.077 0.000 1.276 158 L HN 0.634 8.864 8.230 0.000 0.000 0.403 159 K N 3.965 124.511 120.400 0.244 0.000 2.234 159 K HA 0.859 5.181 4.320 0.003 0.000 0.282 159 K C -0.792 175.929 176.600 0.202 0.000 1.039 159 K CA -0.296 56.099 56.287 0.180 0.000 0.928 159 K CB 1.510 34.111 32.500 0.168 0.000 1.039 159 K HN 0.732 8.982 8.250 0.000 0.000 0.470 160 A N 3.998 126.876 122.820 0.098 0.000 2.549 160 A HA 0.581 4.903 4.320 0.003 0.000 0.297 160 A C -2.821 174.699 177.584 -0.107 0.000 1.061 160 A CA -1.596 50.438 52.037 -0.005 0.000 0.690 160 A CB 1.367 20.362 19.000 -0.009 0.000 1.287 160 A HN 0.419 8.569 8.150 0.000 0.000 0.402 161 P HA 0.453 4.873 4.420 0.000 0.000 0.281 161 P C -0.535 176.689 177.300 -0.127 0.000 1.249 161 P CA -0.208 62.801 63.100 -0.151 0.000 0.810 161 P CB 0.562 32.165 31.700 -0.161 0.000 1.008 162 I N 2.313 122.820 120.570 -0.104 0.000 2.533 162 I HA 0.059 4.231 4.170 0.003 0.000 0.284 162 I C 0.937 177.022 176.117 -0.053 0.000 1.109 162 I CA -0.131 61.124 61.300 -0.075 0.000 1.412 162 I CB -0.153 37.712 38.000 -0.226 0.000 1.396 162 I HN 0.116 8.326 8.210 0.000 0.000 0.543 163 L N 5.504 126.730 121.223 0.005 0.000 2.439 163 L HA 0.243 4.585 4.340 0.003 0.000 0.261 163 L C 0.885 177.764 176.870 0.015 0.000 1.153 163 L CA -0.456 54.386 54.840 0.002 0.000 0.808 163 L CB 0.930 43.005 42.059 0.027 0.000 1.126 163 L HN 0.706 8.936 8.230 0.000 0.000 0.460 164 S N -1.044 114.659 115.700 0.006 0.000 2.579 164 S HA -0.058 4.414 4.470 0.003 0.000 0.275 164 S C 0.769 175.391 174.600 0.036 0.000 1.345 164 S CA -0.474 57.733 58.200 0.011 0.000 1.031 164 S CB 0.964 64.167 63.200 0.005 0.000 0.892 164 S HN 0.802 9.112 8.310 0.000 0.000 0.529 165 D N 1.543 121.966 120.400 0.037 0.000 2.263 165 D HA -0.119 4.523 4.640 0.003 0.000 0.208 165 D C 1.459 177.790 176.300 0.052 0.000 0.971 165 D CA 1.317 55.351 54.000 0.056 0.000 0.867 165 D CB -0.242 40.585 40.800 0.046 0.000 0.929 165 D HN 0.557 8.927 8.370 0.000 0.000 0.492 166 S N -0.130 115.591 115.700 0.036 0.000 2.357 166 S HA -0.142 4.330 4.470 0.003 0.000 0.221 166 S C 2.207 176.825 174.600 0.031 0.000 1.031 166 S CA 1.383 59.601 58.200 0.030 0.000 0.982 166 S CB -0.241 62.970 63.200 0.018 0.000 0.853 166 S HN 0.496 8.806 8.310 0.000 0.000 0.458 167 S N 0.606 116.323 115.700 0.028 0.000 2.402 167 S HA -0.107 4.365 4.470 0.003 0.000 0.229 167 S C 2.082 176.704 174.600 0.036 0.000 1.021 167 S CA 0.916 59.129 58.200 0.021 0.000 0.974 167 S CB -1.060 62.149 63.200 0.014 0.000 0.800 167 S HN 0.577 8.887 8.310 0.000 0.000 0.484 168 c N 2.194 120.834 118.600 0.066 0.000 2.462 168 c HA 0.088 4.659 4.570 0.003 0.000 0.278 168 c C 2.743 176.920 174.090 0.145 0.000 1.253 168 c CA 1.099 57.498 56.329 0.116 0.000 1.713 168 c CB -1.163 41.420 42.510 0.122 0.000 2.049 168 c HN 0.632 8.862 8.230 0.000 0.000 0.477 169 K N 0.856 121.324 120.400 0.113 0.000 2.209 169 K HA -0.109 4.213 4.320 0.003 0.000 0.204 169 K C 2.070 178.720 176.600 0.084 0.000 1.048 169 K CA 1.758 58.114 56.287 0.115 0.000 0.940 169 K CB -0.217 32.333 32.500 0.083 0.000 0.729 169 K HN 0.728 8.977 8.250 0.000 0.000 0.451 170 S N -0.073 115.654 115.700 0.046 0.000 2.501 170 S HA 0.106 4.577 4.470 0.003 0.000 0.220 170 S C 2.043 176.621 174.600 -0.037 0.000 0.997 170 S CA 0.386 58.594 58.200 0.012 0.000 0.919 170 S CB 0.337 63.540 63.200 0.006 0.000 0.778 170 S HN 0.235 8.545 8.310 0.000 0.000 0.523 171 A N 0.300 123.073 122.820 -0.078 0.000 1.970 171 A HA 0.316 4.638 4.320 0.003 0.000 0.216 171 A C 0.600 177.927 177.584 -0.429 0.000 1.170 171 A CA 0.410 52.274 52.037 -0.289 0.000 0.645 171 A CB -0.381 18.364 19.000 -0.425 0.000 0.816 171 A HN 0.638 8.788 8.150 0.000 0.000 0.447 172 Y N 0.029 120.359 120.300 0.050 0.000 2.470 172 Y HA 0.277 4.828 4.550 0.001 0.000 0.352 172 Y C -2.583 173.377 175.900 0.099 0.000 0.967 172 Y CA -2.690 55.471 58.100 0.100 0.000 1.121 172 Y CB 0.658 39.204 38.460 0.144 0.000 1.149 172 Y HN 0.131 8.411 8.280 0.000 0.000 0.641 173 P HA 0.009 4.429 4.420 0.000 0.000 0.262 173 P C 1.116 178.492 177.300 0.125 0.000 1.182 173 P CA 1.754 64.923 63.100 0.115 0.000 0.761 173 P CB 0.871 32.611 31.700 0.066 0.000 0.795 174 G N 3.301 112.164 108.800 0.104 0.000 2.234 174 G HA2 -0.327 3.635 3.960 0.003 0.000 0.260 174 G HA3 -0.327 3.635 3.960 0.003 0.000 0.260 174 G C 0.780 175.734 174.900 0.090 0.000 0.987 174 G CA 0.424 45.572 45.100 0.080 0.000 0.625 174 G HN 0.556 8.846 8.290 0.000 0.000 0.532 175 Q N -0.614 119.278 119.800 0.154 0.000 2.280 175 Q HA 0.395 4.737 4.340 0.003 0.000 0.228 175 Q C 0.739 176.874 176.000 0.226 0.000 0.857 175 Q CA -0.051 55.852 55.803 0.168 0.000 0.939 175 Q CB 1.003 29.894 28.738 0.255 0.000 1.114 175 Q HN 0.502 8.772 8.270 0.000 0.000 0.514 176 I N 2.461 123.155 120.570 0.205 0.000 2.342 176 I HA 0.143 4.315 4.170 0.003 0.000 0.291 176 I C 0.859 177.051 176.117 0.125 0.000 1.010 176 I CA 0.097 61.504 61.300 0.178 0.000 1.308 176 I CB 0.751 38.840 38.000 0.147 0.000 1.400 176 I HN 0.092 8.302 8.210 0.000 0.000 0.488 177 T N 1.481 116.107 114.554 0.120 0.000 2.910 177 T HA 0.228 4.580 4.350 0.003 0.000 0.279 177 T C 1.305 176.054 174.700 0.081 0.000 0.989 177 T CA -0.048 62.102 62.100 0.084 0.000 0.968 177 T CB 1.229 70.141 68.868 0.073 0.000 1.135 177 T HN 0.593 8.833 8.240 0.000 0.000 0.562 178 S N 0.313 116.048 115.700 0.058 0.000 2.469 178 S HA -0.089 4.383 4.470 0.003 0.000 0.238 178 S C 1.097 175.735 174.600 0.062 0.000 0.998 178 S CA 0.556 58.785 58.200 0.049 0.000 0.957 178 S CB -0.695 62.515 63.200 0.016 0.000 0.764 178 S HN 0.717 9.027 8.310 0.000 0.000 0.514 179 N N 0.825 119.573 118.700 0.081 0.000 2.251 179 N HA 0.370 5.112 4.740 0.003 0.000 0.217 179 N C -0.387 175.229 175.510 0.177 0.000 1.124 179 N CA 0.205 53.326 53.050 0.119 0.000 0.843 179 N CB 0.300 38.879 38.487 0.153 0.000 1.024 179 N HN 0.536 8.916 8.380 0.000 0.000 0.501 180 M N 0.204 119.895 119.600 0.151 0.000 2.716 180 M HA 0.510 4.992 4.480 0.003 0.000 0.307 180 M C -1.005 175.413 176.300 0.196 0.000 1.223 180 M CA -1.031 54.333 55.300 0.106 0.000 0.871 180 M CB 2.266 34.904 32.600 0.063 0.000 1.739 180 M HN -0.047 8.243 8.290 0.000 0.000 0.475 181 F N -1.430 118.554 119.950 0.057 0.000 2.662 181 F HA 0.815 5.342 4.527 0.001 0.000 0.312 181 F C -1.509 174.327 175.800 0.061 0.000 1.113 181 F CA -1.314 56.716 58.000 0.050 0.000 0.951 181 F CB 0.723 39.754 39.000 0.051 0.000 1.344 181 F HN 0.480 8.780 8.300 0.000 0.000 0.462 182 c N 1.806 120.582 118.600 0.293 0.000 2.365 182 c HA 0.942 5.514 4.570 0.003 0.000 0.349 182 c C 0.012 174.319 174.090 0.361 0.000 1.191 182 c CA -0.012 56.443 56.329 0.209 0.000 2.114 182 c CB 0.715 43.304 42.510 0.133 0.000 2.367 182 c HN 1.074 9.304 8.230 0.000 0.000 0.530 183 A N 1.910 124.912 122.820 0.304 0.000 2.604 183 A HA 0.585 4.907 4.320 0.003 0.000 0.285 183 A C -1.505 176.130 177.584 0.085 0.000 1.095 183 A CA -0.386 51.745 52.037 0.157 0.000 0.842 183 A CB 0.102 19.153 19.000 0.086 0.000 1.385 183 A HN 0.767 8.917 8.150 0.000 0.000 0.404 184 Y N 2.643 122.979 120.300 0.059 0.000 2.350 184 Y HA 0.335 4.885 4.550 0.001 0.000 0.340 184 Y C 1.331 177.249 175.900 0.030 0.000 1.006 184 Y CA -0.460 57.663 58.100 0.039 0.000 1.166 184 Y CB 1.183 39.663 38.460 0.033 0.000 1.168 184 Y HN 0.639 8.919 8.280 0.000 0.000 0.502 185 L N 1.615 122.904 121.223 0.110 0.000 2.275 185 L HA -0.153 4.189 4.340 0.003 0.000 0.215 185 L C 2.113 179.025 176.870 0.069 0.000 1.119 185 L CA 1.226 56.103 54.840 0.062 0.000 0.790 185 L CB -0.032 42.046 42.059 0.031 0.000 0.919 185 L HN 0.727 8.957 8.230 0.000 0.000 0.443 186 E N 0.488 120.751 120.200 0.105 0.000 2.418 186 E HA 0.035 4.387 4.350 0.003 0.000 0.197 186 E C 0.645 177.285 176.600 0.066 0.000 1.026 186 E CA 0.439 56.883 56.400 0.074 0.000 0.862 186 E CB 0.212 29.959 29.700 0.078 0.000 0.799 186 E HN 0.360 8.720 8.360 0.000 0.000 0.518 187 G N 1.706 110.568 108.800 0.104 0.000 3.295 187 G HA2 -0.257 3.705 3.960 0.003 0.000 0.686 187 G HA3 -0.257 3.705 3.960 0.003 0.000 0.686 187 G C -1.009 173.924 174.900 0.055 0.000 0.958 187 G CA -0.085 45.066 45.100 0.084 0.000 0.787 187 G HN 0.262 8.552 8.290 0.000 0.000 0.523 188 K N 0.668 121.088 120.400 0.033 0.000 7.156 188 K HA -0.041 4.281 4.320 0.003 0.000 0.723 188 K C -0.386 176.320 176.600 0.178 0.000 2.501 188 K CA 1.483 57.812 56.287 0.070 0.000 1.807 188 K CB -0.184 32.305 32.500 -0.018 0.000 1.947 188 K HN 1.087 9.337 8.250 0.000 0.000 0.300 189 D N -0.258 120.224 120.400 0.137 0.000 2.738 189 D HA 0.292 4.934 4.640 0.003 0.000 0.308 189 D C -1.030 175.344 176.300 0.123 0.000 1.311 189 D CA 0.192 54.284 54.000 0.154 0.000 0.799 189 D CB 1.218 42.088 40.800 0.117 0.000 1.332 189 D HN 0.364 8.734 8.370 0.000 0.000 0.441 190 S N -0.601 115.186 115.700 0.144 0.000 2.669 190 S HA 0.735 5.207 4.470 0.003 0.000 0.270 190 S C 0.062 174.702 174.600 0.066 0.000 1.225 190 S CA -0.426 57.840 58.200 0.109 0.000 0.991 190 S CB 1.344 64.646 63.200 0.170 0.000 0.987 190 S HN 0.668 8.979 8.310 0.000 0.000 0.552 191 c N 0.010 118.646 118.600 0.061 0.000 3.335 191 c HA 0.511 5.083 4.570 0.003 0.000 0.356 191 c C -1.205 172.939 174.090 0.091 0.000 1.570 191 c CA -0.596 55.763 56.329 0.051 0.000 1.271 191 c CB 0.961 43.474 42.510 0.006 0.000 1.873 191 c HN 1.051 9.281 8.230 0.000 0.000 0.439 192 Q N 0.783 120.646 119.800 0.105 0.000 2.263 192 Q HA 0.400 4.742 4.340 0.003 0.000 0.289 192 Q C 1.006 177.173 176.000 0.279 0.000 1.061 192 Q CA 1.768 57.687 55.803 0.193 0.000 0.927 192 Q CB 0.203 29.070 28.738 0.215 0.000 1.154 192 Q HN 1.392 9.662 8.270 0.000 0.000 0.378 193 G N 2.449 111.445 108.800 0.327 0.000 2.213 193 G HA2 -0.240 3.722 3.960 0.003 0.000 0.236 193 G HA3 -0.240 3.722 3.960 0.003 0.000 0.236 193 G C 0.476 175.614 174.900 0.397 0.000 0.991 193 G CA 0.127 45.483 45.100 0.426 0.000 0.629 193 G HN 0.661 8.951 8.290 0.000 0.000 0.517 194 D N 0.960 121.519 120.400 0.265 0.000 2.348 194 D HA 0.186 4.828 4.640 0.003 0.000 0.211 194 D C 1.435 177.846 176.300 0.185 0.000 0.998 194 D CA 0.688 54.812 54.000 0.207 0.000 0.873 194 D CB 0.139 41.021 40.800 0.138 0.000 0.925 194 D HN 0.367 8.737 8.370 0.000 0.000 0.524 195 S N -0.721 115.094 115.700 0.191 0.000 2.559 195 S HA 0.254 4.726 4.470 0.003 0.000 0.282 195 S C 1.580 176.212 174.600 0.054 0.000 1.336 195 S CA 0.830 59.124 58.200 0.158 0.000 1.037 195 S CB 0.925 64.261 63.200 0.227 0.000 0.853 195 S HN 0.462 8.772 8.310 0.000 0.000 0.523 196 G N 1.547 110.355 108.800 0.012 0.000 2.245 196 G HA2 -0.229 3.733 3.960 0.003 0.000 0.264 196 G HA3 -0.229 3.733 3.960 0.003 0.000 0.264 196 G C 0.476 175.415 174.900 0.065 0.000 0.985 196 G CA 0.226 45.320 45.100 -0.009 0.000 0.625 196 G HN 1.136 9.426 8.290 0.000 0.000 0.536 197 G N 0.527 109.390 108.800 0.106 0.000 2.651 197 G HA2 0.578 4.540 3.960 0.003 0.000 0.260 197 G HA3 0.578 4.540 3.960 0.003 0.000 0.260 197 G C -2.025 172.956 174.900 0.135 0.000 1.216 197 G CA -0.303 44.871 45.100 0.124 0.000 0.913 197 G HN 0.319 8.609 8.290 0.000 0.000 0.535 198 P HA 0.351 4.771 4.420 0.000 0.000 0.282 198 P C -0.705 176.653 177.300 0.097 0.000 1.249 198 P CA -0.484 62.702 63.100 0.143 0.000 0.806 198 P CB 1.651 33.503 31.700 0.253 0.000 0.984 199 V N 3.067 123.016 119.914 0.058 0.000 2.409 199 V HA 0.279 4.401 4.120 0.003 0.000 0.290 199 V C 0.019 176.116 176.094 0.005 0.000 1.017 199 V CA -0.669 61.628 62.300 -0.005 0.000 0.841 199 V CB 1.821 33.580 31.823 -0.108 0.000 1.003 199 V HN 0.230 8.420 8.190 0.000 0.000 0.426 200 V N 3.986 123.893 119.914 -0.011 0.000 2.417 200 V HA 0.500 4.622 4.120 0.003 0.000 0.291 200 V C -0.222 175.848 176.094 -0.040 0.000 1.024 200 V CA -0.271 61.995 62.300 -0.057 0.000 0.861 200 V CB 1.748 33.515 31.823 -0.093 0.000 0.985 200 V HN 1.006 9.196 8.190 0.000 0.000 0.436 201 c N 2.529 121.097 118.600 -0.054 0.000 2.441 201 c HA 0.534 5.106 4.570 0.003 0.000 0.318 201 c C 0.957 175.017 174.090 -0.050 0.000 1.222 201 c CA -0.792 55.505 56.329 -0.053 0.000 1.474 201 c CB 0.908 43.370 42.510 -0.081 0.000 2.125 201 c HN 1.013 9.243 8.230 0.000 0.000 0.479 202 S N 1.174 116.853 115.700 -0.035 0.000 3.549 202 S HA -0.132 4.340 4.470 0.003 0.000 0.366 202 S C 1.222 175.803 174.600 -0.032 0.000 1.012 202 S CA 1.507 59.689 58.200 -0.029 0.000 1.141 202 S CB -1.581 61.598 63.200 -0.035 0.000 0.910 202 S HN 2.427 10.737 8.310 0.000 0.000 0.471 203 G N -0.795 107.985 108.800 -0.033 0.000 2.155 203 G HA2 -0.340 3.622 3.960 0.003 0.000 0.257 203 G HA3 -0.340 3.622 3.960 0.003 0.000 0.257 203 G C 0.061 174.912 174.900 -0.081 0.000 0.983 203 G CA 0.985 46.058 45.100 -0.045 0.000 0.676 203 G HN 0.579 8.869 8.290 0.000 0.000 0.528 210 Q N 2.236 122.058 119.800 0.036 0.000 2.396 210 Q HA 0.489 4.831 4.340 0.003 0.000 0.220 210 Q C 0.630 176.806 176.000 0.294 0.000 0.900 210 Q CA 0.870 56.731 55.803 0.097 0.000 0.925 210 Q CB 1.650 30.377 28.738 -0.018 0.000 1.065 210 Q HN 0.756 9.026 8.270 0.000 0.000 0.535 211 G N 0.154 109.114 108.800 0.266 0.000 2.658 211 G HA2 0.709 4.671 3.960 0.003 0.000 0.292 211 G HA3 0.709 4.671 3.960 0.003 0.000 0.292 211 G C -1.220 173.782 174.900 0.169 0.000 1.320 211 G CA -0.573 44.699 45.100 0.286 0.000 0.933 211 G HN 0.023 8.313 8.290 0.000 0.000 0.476 212 I N 0.524 121.190 120.570 0.161 0.000 2.499 212 I HA 0.231 4.403 4.170 0.003 0.000 0.288 212 I C -0.155 176.091 176.117 0.214 0.000 1.048 212 I CA -1.027 60.366 61.300 0.155 0.000 1.062 212 I CB 2.400 40.456 38.000 0.093 0.000 1.238 212 I HN 0.126 8.336 8.210 0.000 0.000 0.426 213 V N 4.958 125.026 119.914 0.256 0.000 2.475 213 V HA -0.034 4.088 4.120 0.003 0.000 0.292 213 V C 0.893 177.028 176.094 0.069 0.000 1.003 213 V CA 0.798 63.202 62.300 0.173 0.000 1.120 213 V CB 0.590 32.535 31.823 0.203 0.000 0.937 213 V HN 0.995 9.185 8.190 0.000 0.000 0.476 214 S N 5.314 120.959 115.700 -0.091 0.000 3.249 214 S HA 0.334 4.806 4.470 0.003 0.000 0.237 214 S C 0.088 174.792 174.600 0.174 0.000 1.007 214 S CA 0.052 58.342 58.200 0.150 0.000 0.811 214 S CB 0.560 63.831 63.200 0.118 0.000 0.832 214 S HN 0.876 9.186 8.310 0.000 0.000 0.573 215 W N 0.001 121.141 121.300 -0.266 0.000 2.874 215 W HA 0.651 5.318 4.660 0.011 0.000 0.403 215 W C -0.427 175.916 176.519 -0.293 0.000 1.144 215 W CA -0.475 56.714 57.345 -0.261 0.000 1.175 215 W CB 0.338 29.640 29.460 -0.262 0.000 1.483 215 W HN 0.615 8.795 8.180 0.000 0.000 0.591 216 G N 0.139 109.011 108.800 0.119 0.000 2.356 216 G HA2 0.409 4.371 3.960 0.003 0.000 0.294 216 G HA3 0.409 4.371 3.960 0.003 0.000 0.294 216 G C -2.054 172.991 174.900 0.242 0.000 1.423 216 G CA -0.241 44.834 45.100 -0.043 0.000 0.806 216 G HN 0.650 8.940 8.290 0.000 0.000 0.527 220 c N 0.463 119.099 118.600 0.061 0.000 3.276 220 c HA 0.831 5.403 4.570 0.003 0.000 0.226 220 c C -0.151 173.972 174.090 0.054 0.000 1.502 220 c CA -0.458 55.904 56.329 0.055 0.000 1.488 220 c CB -0.835 41.699 42.510 0.039 0.000 2.014 220 c HN 0.701 8.931 8.230 0.000 0.000 0.492 221 Q N 0.229 120.061 119.800 0.054 0.000 2.975 221 Q HA 0.150 4.492 4.340 0.003 0.000 0.264 221 Q C -0.928 175.093 176.000 0.035 0.000 0.957 221 Q CA -0.388 55.439 55.803 0.040 0.000 0.838 221 Q CB 0.525 29.287 28.738 0.040 0.000 1.955 221 Q HN 0.495 8.765 8.270 0.000 0.000 0.519 222 K N 1.942 122.355 120.400 0.022 0.000 2.447 222 K HA 0.103 4.425 4.320 0.003 0.000 0.281 222 K C -0.301 176.294 176.600 -0.008 0.000 1.031 222 K CA 0.500 56.796 56.287 0.015 0.000 1.019 222 K CB 0.099 32.604 32.500 0.008 0.000 0.918 222 K HN 0.630 8.880 8.250 0.000 0.000 0.476 223 N N 2.792 121.483 118.700 -0.014 0.000 2.741 223 N HA -0.160 4.582 4.740 0.003 0.000 0.250 223 N C -1.233 174.194 175.510 -0.139 0.000 1.115 223 N CA 0.946 53.958 53.050 -0.064 0.000 0.724 223 N CB -0.321 38.123 38.487 -0.072 0.000 1.090 223 N HN 0.568 8.948 8.380 0.000 0.000 0.558 224 K N -0.130 120.224 120.400 -0.076 0.000 2.920 224 K HA 0.300 4.622 4.320 0.003 0.000 0.175 224 K C -2.430 174.220 176.600 0.083 0.000 1.099 224 K CA -1.182 55.056 56.287 -0.083 0.000 0.939 224 K CB 1.714 34.217 32.500 0.005 0.000 1.148 224 K HN 0.069 8.319 8.250 0.000 0.000 0.613 225 P HA -0.012 4.408 4.420 0.000 0.000 0.271 225 P C 0.570 177.924 177.300 0.090 0.000 1.238 225 P CA -0.096 63.075 63.100 0.119 0.000 0.794 225 P CB 0.598 32.364 31.700 0.111 0.000 0.959 226 G N -0.342 108.470 108.800 0.020 0.000 2.442 226 G HA2 0.411 4.373 3.960 0.003 0.000 0.249 226 G HA3 0.411 4.373 3.960 0.003 0.000 0.249 226 G C -0.646 173.936 174.900 -0.530 0.000 1.263 226 G CA -0.330 44.617 45.100 -0.256 0.000 0.846 226 G HN 0.331 8.621 8.290 0.000 0.000 0.555 227 V N 2.226 121.527 119.914 -1.021 0.000 2.459 227 V HA 0.474 4.596 4.120 0.003 0.000 0.295 227 V C -0.942 174.444 176.094 -1.181 0.000 1.029 227 V CA -0.699 60.922 62.300 -1.131 0.000 0.874 227 V CB 0.956 31.684 31.823 -1.824 0.000 0.985 227 V HN 0.637 8.827 8.190 0.000 0.000 0.438 228 Y N 0.722 120.635 120.300 -0.646 0.000 2.462 228 Y HA 0.473 5.024 4.550 0.001 0.000 0.346 228 Y C 0.776 176.376 175.900 -0.500 0.000 0.976 228 Y CA -0.823 56.900 58.100 -0.627 0.000 1.044 228 Y CB 2.021 39.830 38.460 -1.084 0.000 1.230 228 Y HN 0.572 8.852 8.280 0.000 0.000 0.455 229 T N 2.791 117.293 114.554 -0.087 0.000 2.888 229 T HA 0.044 4.396 4.350 0.003 0.000 0.301 229 T C 0.100 174.901 174.700 0.169 0.000 1.001 229 T CA -0.392 61.742 62.100 0.056 0.000 1.147 229 T CB 0.149 69.051 68.868 0.056 0.000 0.931 229 T HN 0.381 8.621 8.240 0.000 0.000 0.541 230 K N 3.834 124.426 120.400 0.321 0.000 2.171 230 K HA 0.192 4.514 4.320 0.003 0.000 0.274 230 K C 1.112 177.949 176.600 0.396 0.000 1.110 230 K CA -0.327 56.227 56.287 0.446 0.000 0.952 230 K CB -0.172 32.546 32.500 0.362 0.000 1.309 230 K HN 0.401 8.651 8.250 0.000 0.000 0.414 231 V N 3.005 123.146 119.914 0.379 0.000 2.392 231 V HA -0.370 3.752 4.120 0.003 0.000 0.249 231 V C 2.284 178.534 176.094 0.261 0.000 1.059 231 V CA 1.981 64.496 62.300 0.359 0.000 1.051 231 V CB -0.969 30.997 31.823 0.239 0.000 0.658 231 V HN 0.992 9.182 8.190 0.000 0.000 0.455 232 c N 0.285 118.975 118.600 0.151 0.000 2.422 232 c HA -0.067 4.505 4.570 0.003 0.000 0.286 232 c C 2.209 176.303 174.090 0.007 0.000 1.412 232 c CA 0.532 56.901 56.329 0.066 0.000 1.786 232 c CB -1.757 40.766 42.510 0.021 0.000 1.835 232 c HN 0.579 8.809 8.230 0.000 0.000 0.533 233 N N 0.024 118.671 118.700 -0.088 0.000 2.494 233 N HA 0.043 4.785 4.740 0.003 0.000 0.182 233 N C 0.730 175.973 175.510 -0.445 0.000 1.076 233 N CA 0.996 53.847 53.050 -0.331 0.000 0.908 233 N CB -0.326 37.827 38.487 -0.558 0.000 0.967 233 N HN 0.742 9.122 8.380 0.000 0.000 0.449 234 Y N -0.982 119.394 120.300 0.127 0.000 2.481 234 Y HA 0.260 4.811 4.550 0.002 0.000 0.247 234 Y C 1.869 177.925 175.900 0.261 0.000 1.151 234 Y CA -0.309 57.931 58.100 0.233 0.000 1.238 234 Y CB 0.106 38.728 38.460 0.271 0.000 1.179 234 Y HN -0.215 8.065 8.280 0.000 0.000 0.524 235 V N -0.662 119.388 119.914 0.227 0.000 2.287 235 V HA -0.307 3.815 4.120 0.003 0.000 0.248 235 V C 2.106 178.268 176.094 0.113 0.000 1.053 235 V CA 2.507 64.894 62.300 0.145 0.000 1.027 235 V CB -0.701 31.168 31.823 0.077 0.000 0.646 235 V HN 0.360 8.550 8.190 0.000 0.000 0.447 236 S N -1.542 114.230 115.700 0.121 0.000 2.382 236 S HA -0.241 4.231 4.470 0.003 0.000 0.228 236 S C 1.484 176.171 174.600 0.144 0.000 1.027 236 S CA 1.714 59.972 58.200 0.096 0.000 0.991 236 S CB -0.452 62.799 63.200 0.086 0.000 0.823 236 S HN 0.796 9.106 8.310 0.000 0.000 0.469 237 W N 2.289 123.630 121.300 0.069 0.000 2.379 237 W HA -0.001 4.660 4.660 0.002 0.000 0.307 237 W C 1.653 178.181 176.519 0.016 0.000 1.200 237 W CA 0.830 58.221 57.345 0.076 0.000 1.297 237 W CB -0.491 29.092 29.460 0.205 0.000 1.140 237 W HN 0.167 8.347 8.180 0.000 0.000 0.507 238 I N 0.959 121.491 120.570 -0.063 0.000 2.127 238 I HA -0.363 3.808 4.170 0.003 0.000 0.241 238 I C 2.444 178.313 176.117 -0.414 0.000 1.075 238 I CA 1.844 62.912 61.300 -0.386 0.000 1.334 238 I CB -0.605 37.334 38.000 -0.103 0.000 1.040 238 I HN -0.058 8.152 8.210 0.000 0.000 0.405 239 K N 0.048 120.316 120.400 -0.220 0.000 2.097 239 K HA -0.246 4.076 4.320 0.003 0.000 0.205 239 K C 2.132 178.590 176.600 -0.237 0.000 1.050 239 K CA 1.335 57.495 56.287 -0.211 0.000 0.938 239 K CB -0.198 32.239 32.500 -0.105 0.000 0.718 239 K HN 0.178 8.428 8.250 0.000 0.000 0.442 240 Q N 0.931 120.607 119.800 -0.206 0.000 2.124 240 Q HA -0.106 4.236 4.340 0.003 0.000 0.202 240 Q C 1.710 177.551 176.000 -0.265 0.000 0.977 240 Q CA 2.014 57.710 55.803 -0.177 0.000 0.850 240 Q CB -0.284 28.400 28.738 -0.089 0.000 0.901 240 Q HN 0.158 8.428 8.270 0.000 0.000 0.429 241 T N 0.476 114.756 114.554 -0.457 0.000 2.770 241 T HA -0.059 4.293 4.350 0.003 0.000 0.263 241 T C 1.492 175.859 174.700 -0.555 0.000 1.039 241 T CA 1.153 62.934 62.100 -0.532 0.000 1.142 241 T CB -0.172 68.166 68.868 -0.882 0.000 0.868 241 T HN 0.158 8.398 8.240 0.000 0.000 0.435 242 I N 1.919 122.033 120.570 -0.760 0.000 2.286 242 I HA -0.043 4.129 4.170 0.003 0.000 0.248 242 I C 2.648 178.555 176.117 -0.350 0.000 1.115 242 I CA 0.252 61.013 61.300 -0.900 0.000 1.392 242 I CB -1.174 36.274 38.000 -0.919 0.000 1.065 242 I HN 0.179 8.389 8.210 0.000 0.000 0.418 243 A N -1.200 121.469 122.820 -0.250 0.000 2.067 243 A HA -0.082 4.240 4.320 0.003 0.000 0.219 243 A C 2.317 179.869 177.584 -0.054 0.000 1.158 243 A CA 1.787 53.755 52.037 -0.114 0.000 0.661 243 A CB -0.413 18.528 19.000 -0.098 0.000 0.801 243 A HN 0.390 8.540 8.150 0.000 0.000 0.452 244 S N -0.644 115.018 115.700 -0.063 0.000 2.603 244 S HA 0.209 4.681 4.470 0.003 0.000 0.232 244 S C 0.346 174.971 174.600 0.041 0.000 1.016 244 S CA -0.571 57.621 58.200 -0.014 0.000 0.976 244 S CB 0.075 63.255 63.200 -0.032 0.000 0.921 244 S HN 0.576 8.886 8.310 0.000 0.000 0.516 245 N N 0.000 118.764 118.700 0.107 0.000 1.763 245 N HA 0.000 4.742 4.740 0.003 0.000 0.220 245 N CA 0.000 53.181 53.050 0.219 0.000 0.885 245 N CB 0.000 38.684 38.487 0.329 0.000 1.341 245 N HN 0.000 8.380 8.380 0.000 0.000 0.667