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 1gi0_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 0.000 176.094 176.117 -0.039 0.000 1.063 16 I CA 0.000 61.280 61.300 -0.033 0.000 1.566 16 I CB 0.000 37.953 38.000 -0.078 0.000 1.214 17 V N 5.016 124.922 119.914 -0.013 0.000 2.513 17 V HA 0.265 4.370 4.120 -0.026 0.000 0.299 17 V C 0.488 176.581 176.094 -0.002 0.000 1.035 17 V CA -1.723 60.570 62.300 -0.012 0.000 0.889 17 V CB 1.310 33.133 31.823 -0.000 0.000 0.988 17 V HN 0.742 8.938 8.190 0.010 0.000 0.440 18 G N 6.588 115.383 108.800 -0.008 0.000 2.198 18 G HA2 -0.394 3.562 3.960 -0.007 0.000 0.260 18 G HA3 -0.394 3.712 3.960 -0.020 -0.158 0.260 18 G C -0.726 174.182 174.900 0.014 0.000 1.025 18 G CA 0.535 45.631 45.100 -0.007 0.000 0.769 18 G HN 0.779 9.061 8.290 -0.013 0.000 0.507 19 G N -1.533 107.272 108.800 0.008 0.000 2.828 19 G HA2 0.583 4.596 3.960 0.088 0.000 0.244 19 G HA3 0.583 4.580 3.960 -0.094 -0.094 0.244 19 G C -1.915 173.024 174.900 0.066 0.000 1.365 19 G CA -1.190 43.915 45.100 0.008 0.000 1.041 19 G HN -0.668 7.587 8.290 -0.012 0.028 0.560 20 Y N -6.278 114.002 120.300 -0.033 0.000 2.638 20 Y HA 0.402 4.934 4.550 -0.030 0.000 0.339 20 Y C -1.904 173.969 175.900 -0.045 0.000 1.084 20 Y CA -2.685 55.394 58.100 -0.034 0.000 1.068 20 Y CB 1.260 39.703 38.460 -0.028 0.000 1.294 20 Y HN 0.347 8.287 8.280 -0.567 0.000 0.480 21 T N 2.940 117.562 114.554 0.113 0.000 2.769 21 T HA 0.026 4.475 4.350 -0.095 -0.156 0.293 21 T C 0.390 175.135 174.700 0.075 0.000 0.931 21 T CA 1.663 63.771 62.100 0.014 0.000 1.139 21 T CB -0.241 68.657 68.868 0.049 0.000 0.881 21 T HN 0.185 8.543 8.240 0.197 0.000 0.532 22 c N 6.022 124.557 118.600 -0.107 0.000 2.393 22 c HA -0.197 4.398 4.570 0.043 0.000 0.276 22 c C -0.253 173.870 174.090 0.054 0.000 1.215 22 c CA 1.615 57.918 56.329 -0.043 0.000 1.743 22 c CB -0.334 42.075 42.510 -0.170 0.000 2.044 22 c HN 0.406 8.510 8.230 -0.211 0.000 0.464 23 G N -4.024 104.780 108.800 0.007 0.000 2.402 23 G HA2 -0.168 3.810 3.960 0.029 0.000 0.666 23 G HA3 -0.168 3.811 3.960 0.032 0.000 0.666 23 G C -2.293 172.607 174.900 -0.001 0.000 1.402 23 G CA -0.924 44.189 45.100 0.021 0.000 0.920 23 G HN -0.715 7.555 8.290 -0.034 0.000 0.651 24 A N 2.222 125.049 122.820 0.013 0.000 2.524 24 A HA -0.148 4.269 4.320 0.025 -0.081 0.250 24 A C -0.372 177.215 177.584 0.005 0.000 1.078 24 A CA 0.786 52.834 52.037 0.018 0.000 0.761 24 A CB -0.008 19.008 19.000 0.027 0.000 1.012 24 A HN 0.281 8.443 8.150 0.019 0.000 0.500 25 N N -1.778 116.921 118.700 -0.001 0.000 2.725 25 N HA -0.386 4.337 4.740 -0.029 0.000 0.251 25 N C -0.057 175.430 175.510 -0.039 0.000 1.031 25 N CA 1.395 54.434 53.050 -0.019 0.000 0.720 25 N CB -1.306 37.182 38.487 0.002 0.000 0.930 25 N HN 0.496 8.882 8.380 0.011 0.000 0.543 26 T N -1.428 113.091 114.554 -0.058 0.000 3.044 26 T HA 0.059 4.396 4.350 -0.021 0.000 0.250 26 T C -0.873 173.767 174.700 -0.101 0.000 1.081 26 T CA 0.642 62.715 62.100 -0.046 0.000 1.040 26 T CB 0.611 69.470 68.868 -0.015 0.000 0.962 26 T HN -0.637 7.561 8.240 -0.070 0.000 0.506 27 V N 2.163 121.948 119.914 -0.215 0.000 2.271 27 V HA 0.364 4.182 4.120 -0.503 0.000 0.259 27 V C -1.414 174.337 176.094 -0.572 0.000 1.030 27 V CA -3.790 58.209 62.300 -0.501 0.000 0.957 27 V CB 0.432 31.959 31.823 -0.494 0.000 1.186 27 V HN -0.283 7.738 8.190 -0.185 0.058 0.471 28 P HA 0.050 4.494 4.420 -0.111 -0.090 0.230 28 P C -0.082 177.160 177.300 -0.097 0.000 1.158 28 P CA 1.546 64.557 63.100 -0.148 0.000 0.769 28 P CB 0.083 31.772 31.700 -0.018 0.000 0.807 29 Y N -5.738 114.586 120.300 0.040 0.000 2.457 29 Y HA 0.560 5.309 4.550 0.055 -0.166 0.263 29 Y C -0.744 175.192 175.900 0.061 0.000 1.164 29 Y CA -3.819 54.311 58.100 0.050 0.000 1.274 29 Y CB -1.421 37.064 38.460 0.042 0.000 1.097 29 Y HN -0.395 7.260 8.280 -0.928 0.068 0.523 30 Q N 2.667 122.350 119.800 -0.196 0.000 2.314 30 Q HA 0.289 4.823 4.340 0.102 -0.133 0.258 30 Q C -0.400 175.680 176.000 0.133 0.000 0.954 30 Q CA 0.007 55.797 55.803 -0.023 0.000 0.890 30 Q CB 1.477 30.096 28.738 -0.197 0.000 1.210 30 Q HN -0.608 7.318 8.270 -0.457 0.069 0.410 31 V N 0.755 120.790 119.914 0.202 0.000 3.001 31 V HA 0.768 5.133 4.120 0.209 -0.119 0.314 31 V C -2.007 174.255 176.094 0.279 0.000 1.099 31 V CA -2.951 59.473 62.300 0.206 0.000 0.989 31 V CB 4.178 36.074 31.823 0.121 0.000 1.040 31 V HN 0.500 8.807 8.190 0.194 0.000 0.434 32 S N 2.102 117.886 115.700 0.140 0.000 2.478 32 S HA 0.414 5.153 4.470 0.238 -0.126 0.312 32 S C -1.244 173.276 174.600 -0.134 0.000 1.094 32 S CA -1.727 56.500 58.200 0.045 0.000 1.081 32 S CB 1.514 64.537 63.200 -0.294 0.000 1.007 32 S HN -0.110 8.247 8.310 0.078 0.000 0.475 33 L N 6.607 127.629 121.223 -0.336 0.000 2.275 33 L HA 0.556 4.850 4.340 -0.305 -0.136 0.288 33 L C -1.464 175.023 176.870 -0.639 0.000 1.046 33 L CA -0.846 53.669 54.840 -0.543 0.000 0.805 33 L CB 0.931 42.444 42.059 -0.909 0.000 1.193 33 L HN 0.904 8.799 8.230 -0.385 0.104 0.426 38 G N 0.030 108.582 108.800 -0.412 0.000 2.201 38 G HA2 -0.249 3.632 3.960 -0.131 0.000 0.212 38 G HA3 -0.249 3.657 3.960 -0.089 0.000 0.212 38 G C -1.727 173.134 174.900 -0.066 0.000 0.994 38 G CA 0.199 45.184 45.100 -0.191 0.000 0.644 38 G HN 0.266 8.626 8.290 -0.339 -0.274 0.508 39 Y N -7.139 113.142 120.300 -0.031 0.000 2.702 39 Y HA 0.214 4.730 4.550 -0.056 0.000 0.336 39 Y C -2.482 173.436 175.900 0.030 0.000 1.203 39 Y CA -3.340 54.746 58.100 -0.023 0.000 1.072 39 Y CB 0.820 39.265 38.460 -0.024 0.000 1.327 39 Y HN -1.270 6.582 8.280 -0.771 -0.034 0.456 40 H N 2.476 121.574 119.070 0.047 0.000 2.767 40 H HA 0.056 4.671 4.556 -0.202 -0.180 0.316 40 H C -0.348 175.089 175.328 0.182 0.000 1.059 40 H CA -0.280 55.734 56.048 -0.056 0.000 1.461 40 H CB 0.354 30.019 29.762 -0.161 0.000 1.475 40 H HN 0.293 8.709 8.280 0.226 0.000 0.531 41 F N 2.557 122.187 119.950 -0.533 0.000 2.834 41 F HA 0.326 4.787 4.527 -0.110 0.000 0.332 41 F C -1.521 174.058 175.800 -0.369 0.000 1.056 41 F CA -0.711 57.122 58.000 -0.279 0.000 1.178 41 F CB 1.540 40.508 39.000 -0.054 0.000 1.037 41 F HN -0.015 7.720 8.300 -0.942 0.000 0.580 42 c N -1.492 116.472 118.600 -1.060 0.000 3.321 42 c HA 0.402 4.900 4.570 -0.214 -0.056 0.329 42 c C -1.613 172.284 174.090 -0.322 0.000 1.394 42 c CA -0.246 55.768 56.329 -0.525 0.000 1.291 42 c CB 4.048 46.319 42.510 -0.398 0.000 1.606 42 c HN -0.823 6.486 8.230 -1.535 0.000 0.463 43 G N -0.803 107.995 108.800 -0.003 0.000 2.552 43 G HA2 0.800 5.095 3.960 0.273 0.000 0.318 43 G HA3 0.800 4.896 3.960 0.227 0.000 0.318 43 G C -2.482 172.453 174.900 0.058 0.000 1.240 43 G CA -1.591 43.608 45.100 0.164 0.000 1.002 43 G HN 0.802 9.092 8.290 0.000 0.000 0.493 44 G N -3.854 105.014 108.800 0.112 0.000 2.559 44 G HA2 0.593 4.877 3.960 0.083 0.000 0.291 44 G HA3 0.593 4.592 3.960 0.066 0.000 0.291 44 G C -2.977 172.012 174.900 0.149 0.000 1.424 44 G CA 0.157 45.314 45.100 0.095 0.000 0.786 44 G HN -0.453 7.939 8.290 0.170 0.000 0.485 45 S N -0.522 115.270 115.700 0.153 0.000 2.521 45 S HA 0.881 5.726 4.470 0.269 -0.213 0.295 45 S C -1.362 173.341 174.600 0.172 0.000 1.098 45 S CA -0.935 57.386 58.200 0.201 0.000 0.999 45 S CB 3.799 67.103 63.200 0.173 0.000 1.034 45 S HN 0.403 8.790 8.310 0.129 0.000 0.483 46 L N 6.148 127.488 121.223 0.194 0.000 2.313 46 L HA 0.221 4.769 4.340 0.148 -0.120 0.282 46 L C -0.643 176.312 176.870 0.141 0.000 1.092 46 L CA -0.283 54.653 54.840 0.160 0.000 0.831 46 L CB 1.170 43.321 42.059 0.153 0.000 1.159 46 L HN 0.420 8.802 8.230 0.253 0.000 0.442 47 I N -0.058 120.592 120.570 0.135 0.000 3.941 47 I HA 0.419 4.780 4.170 0.069 -0.149 0.321 47 I C -0.889 175.287 176.117 0.098 0.000 1.284 47 I CA -0.459 60.899 61.300 0.096 0.000 1.226 47 I CB 0.635 38.681 38.000 0.077 0.000 1.045 47 I HN 0.261 8.569 8.210 0.163 0.000 0.420 48 N N -2.047 116.732 118.700 0.132 0.000 3.355 48 N HA 0.036 4.832 4.740 0.093 0.000 0.238 48 N C -0.663 174.922 175.510 0.124 0.000 1.466 48 N CA -0.384 52.740 53.050 0.122 0.000 0.882 48 N CB 0.875 39.441 38.487 0.132 0.000 1.406 48 N HN -0.881 7.592 8.380 0.154 0.000 0.500 49 S N -1.624 114.133 115.700 0.096 0.000 2.420 49 S HA -0.349 4.154 4.470 0.057 0.000 0.237 49 S C 0.859 175.480 174.600 0.034 0.000 1.023 49 S CA 2.717 60.955 58.200 0.063 0.000 0.991 49 S CB 0.082 63.310 63.200 0.047 0.000 0.792 49 S HN 0.481 8.845 8.310 0.089 0.000 0.488 50 Q N -2.758 117.072 119.800 0.051 0.000 2.246 50 Q HA 0.239 4.493 4.340 -0.143 0.000 0.222 50 Q C -0.924 174.901 176.000 -0.291 0.000 0.851 50 Q CA 0.125 55.856 55.803 -0.119 0.000 0.945 50 Q CB 1.192 29.848 28.738 -0.137 0.000 1.122 50 Q HN 0.041 8.349 8.270 0.134 0.043 0.508 51 W N -2.237 119.067 121.300 0.007 0.000 2.936 51 W HA 0.570 5.410 4.660 0.004 -0.178 0.338 51 W C -1.498 175.033 176.519 0.019 0.000 1.121 51 W CA -0.807 56.541 57.345 0.004 0.000 1.209 51 W CB 3.839 33.289 29.460 -0.017 0.000 1.420 51 W HN -0.563 7.761 8.180 0.240 0.000 0.516 52 V N 1.329 121.410 119.914 0.278 0.000 2.735 52 V HA 0.790 5.189 4.120 0.174 -0.175 0.310 52 V C -1.562 174.650 176.094 0.198 0.000 1.061 52 V CA -1.753 60.659 62.300 0.186 0.000 0.913 52 V CB 3.986 35.875 31.823 0.110 0.000 1.005 52 V HN 0.761 9.139 8.190 0.313 0.000 0.428 53 V N 1.909 121.915 119.914 0.154 0.000 2.555 53 V HA 1.018 5.402 4.120 0.160 -0.169 0.302 53 V C -1.681 174.477 176.094 0.107 0.000 1.038 53 V CA -2.847 59.536 62.300 0.138 0.000 0.887 53 V CB 2.392 34.288 31.823 0.121 0.000 0.991 53 V HN 0.655 8.930 8.190 0.142 0.000 0.434 54 S N 3.994 119.747 115.700 0.089 0.000 2.880 54 S HA 0.544 5.221 4.470 0.050 -0.177 0.308 54 S C -1.836 172.769 174.600 0.008 0.000 1.195 54 S CA -2.310 55.916 58.200 0.044 0.000 0.866 54 S CB 2.382 65.595 63.200 0.022 0.000 1.254 54 S HN 0.500 8.873 8.310 0.106 0.000 0.571 55 A N -0.450 122.339 122.820 -0.051 0.000 2.306 55 A HA 0.448 4.877 4.320 -0.074 -0.153 0.314 55 A C 0.521 178.007 177.584 -0.163 0.000 1.164 55 A CA -1.526 50.447 52.037 -0.108 0.000 0.822 55 A CB 1.409 20.309 19.000 -0.167 0.000 1.130 55 A HN 0.331 8.442 8.150 -0.065 0.000 0.496 56 A N 5.072 127.738 122.820 -0.257 0.000 1.972 56 A HA -0.250 3.937 4.320 -0.221 0.000 0.219 56 A C 1.308 178.683 177.584 -0.348 0.000 1.169 56 A CA 2.826 54.597 52.037 -0.443 0.000 0.635 56 A CB -0.390 17.955 19.000 -1.092 0.000 0.810 56 A HN 0.648 8.669 8.150 -0.247 -0.019 0.446 57 H N -4.506 114.421 119.070 -0.238 0.000 2.563 57 H HA -0.066 4.544 4.556 0.090 0.000 0.272 57 H C 0.102 175.490 175.328 0.101 0.000 1.005 57 H CA 1.361 57.428 56.048 0.032 0.000 1.171 57 H CB -1.357 28.491 29.762 0.142 0.000 1.351 57 H HN 0.077 8.575 8.280 -0.137 -0.300 0.602 58 c N -1.481 117.034 118.600 -0.143 0.000 2.697 58 c HA 0.028 4.661 4.570 0.105 0.000 0.267 58 c C 0.296 174.484 174.090 0.163 0.000 1.278 58 c CA -0.051 56.303 56.329 0.041 0.000 1.708 58 c CB -1.642 40.871 42.510 0.006 0.000 1.860 58 c HN -0.238 7.673 8.230 -0.203 0.198 0.589 59 Y N 2.074 122.382 120.300 0.013 0.000 2.610 59 Y HA -0.242 4.338 4.550 0.050 0.000 0.332 59 Y C -1.051 174.835 175.900 -0.022 0.000 1.201 59 Y CA 1.984 60.095 58.100 0.018 0.000 1.465 59 Y CB 0.620 39.077 38.460 -0.005 0.000 1.283 59 Y HN -0.460 7.729 8.280 0.161 0.188 0.563 60 K N 7.225 127.003 120.400 -1.036 0.000 2.555 60 K HA 0.157 3.970 4.320 -0.845 0.000 0.279 60 K C -2.086 173.986 176.600 -0.881 0.000 0.986 60 K CA -1.098 54.654 56.287 -0.892 0.000 0.880 60 K CB 3.920 36.022 32.500 -0.663 0.000 1.474 60 K HN 0.110 7.826 8.250 -0.890 0.000 0.433 61 S N -0.389 114.988 115.700 -0.537 0.000 2.525 61 S HA 0.156 4.494 4.470 -0.220 0.000 0.290 61 S C 0.098 174.581 174.600 -0.195 0.000 1.152 61 S CA -0.306 57.735 58.200 -0.265 0.000 1.072 61 S CB 0.523 63.647 63.200 -0.127 0.000 1.027 61 S HN 0.063 8.103 8.310 -0.450 0.000 0.500 62 G N 3.770 112.499 108.800 -0.119 0.000 2.401 62 G HA2 -0.222 3.693 3.960 -0.074 0.000 0.283 62 G HA3 -0.222 3.670 3.960 -0.113 0.000 0.283 62 G C -1.651 173.189 174.900 -0.100 0.000 1.117 62 G CA -0.124 44.914 45.100 -0.102 0.000 1.051 62 G HN 0.250 8.489 8.290 -0.084 0.000 0.510 63 I N -0.880 119.653 120.570 -0.063 0.000 2.460 63 I HA 0.173 4.472 4.170 0.008 -0.125 0.298 63 I C -2.071 174.020 176.117 -0.043 0.000 0.989 63 I CA -1.352 59.938 61.300 -0.015 0.000 1.173 63 I CB 2.002 40.026 38.000 0.040 0.000 1.338 63 I HN -0.480 7.696 8.210 -0.057 0.000 0.456 64 Q N 5.738 125.498 119.800 -0.067 0.000 2.340 64 Q HA 0.486 4.896 4.340 -0.059 -0.106 0.268 64 Q C -1.779 174.160 176.000 -0.101 0.000 1.031 64 Q CA -1.425 54.326 55.803 -0.087 0.000 0.804 64 Q CB 3.954 32.611 28.738 -0.135 0.000 1.286 64 Q HN 0.293 8.524 8.270 -0.065 0.000 0.448 65 V N 6.697 126.575 119.914 -0.060 0.000 2.427 65 V HA 0.317 4.517 4.120 -0.079 -0.127 0.286 65 V C -1.292 174.802 176.094 0.001 0.000 1.034 65 V CA -0.391 61.883 62.300 -0.043 0.000 0.893 65 V CB 1.312 33.127 31.823 -0.013 0.000 0.982 65 V HN 1.073 9.133 8.190 -0.035 0.109 0.452 66 R N 5.980 126.475 120.500 -0.008 0.000 2.360 66 R HA 0.725 5.446 4.340 0.325 -0.186 0.318 66 R C -1.011 175.370 176.300 0.136 0.000 0.950 66 R CA -1.307 54.865 56.100 0.119 0.000 0.837 66 R CB 1.778 32.026 30.300 -0.087 0.000 1.165 66 R HN 0.558 8.798 8.270 -0.049 0.000 0.458 70 E N -0.186 120.115 120.200 0.168 0.000 2.277 70 E HA 0.159 4.596 4.350 0.145 0.000 0.274 70 E C -1.748 175.035 176.600 0.305 0.000 1.022 70 E CA -0.041 56.483 56.400 0.206 0.000 0.853 70 E CB 1.389 31.174 29.700 0.142 0.000 1.086 70 E HN -0.619 7.828 8.360 0.193 0.029 0.397 71 D N 1.439 121.994 120.400 0.258 0.000 3.045 71 D HA 0.076 4.898 4.640 0.304 0.000 0.196 71 D C -1.099 175.404 176.300 0.339 0.000 1.520 71 D CA 0.851 55.010 54.000 0.266 0.000 1.466 71 D CB 2.457 43.334 40.800 0.128 0.000 1.152 71 D HN 0.104 8.582 8.370 0.179 0.000 0.254 72 N N 0.708 119.517 118.700 0.182 0.000 2.444 72 N HA 0.285 5.287 4.740 0.201 -0.141 0.271 72 N C 2.144 177.662 175.510 0.013 0.000 1.069 72 N CA -0.669 52.460 53.050 0.132 0.000 0.965 72 N CB 1.061 39.596 38.487 0.080 0.000 1.092 72 N HN -0.369 8.382 8.380 0.131 -0.292 0.476 73 I N 0.149 120.628 120.570 -0.151 0.000 3.428 73 I HA -0.042 3.950 4.170 -0.297 0.000 0.286 73 I C -0.465 175.556 176.117 -0.160 0.000 1.287 73 I CA 1.138 62.243 61.300 -0.325 0.000 1.396 73 I CB -0.612 36.955 38.000 -0.721 0.000 1.062 73 I HN 0.725 8.763 8.210 -0.124 0.098 0.471 74 N N -1.492 117.164 118.700 -0.073 0.000 2.236 74 N HA 0.148 4.863 4.740 -0.042 0.000 0.196 74 N C -0.992 174.521 175.510 0.004 0.000 1.114 74 N CA -0.169 52.862 53.050 -0.030 0.000 0.859 74 N CB 1.826 40.306 38.487 -0.011 0.000 0.982 74 N HN 0.076 8.751 8.380 -0.051 -0.326 0.493 75 V N -0.194 119.730 119.914 0.016 0.000 2.638 75 V HA 0.039 4.178 4.120 0.031 0.000 0.306 75 V C -1.369 174.754 176.094 0.049 0.000 1.052 75 V CA -1.121 61.198 62.300 0.033 0.000 0.885 75 V CB 3.389 35.230 31.823 0.031 0.000 0.999 75 V HN -0.817 7.390 8.190 0.006 -0.013 0.424 76 V N 7.665 127.610 119.914 0.052 0.000 2.405 76 V HA -0.182 4.182 4.120 0.063 -0.206 0.264 76 V C 0.255 176.357 176.094 0.012 0.000 1.048 76 V CA 0.578 62.903 62.300 0.041 0.000 0.966 76 V CB -0.293 31.547 31.823 0.028 0.000 1.015 76 V HN 0.327 8.544 8.190 0.045 0.000 0.477 77 E N 8.958 129.164 120.200 0.010 0.000 2.474 77 E HA 0.049 4.404 4.350 0.007 0.000 0.195 77 E C 0.485 177.078 176.600 -0.012 0.000 1.039 77 E CA -0.054 56.349 56.400 0.006 0.000 0.881 77 E CB 0.324 30.037 29.700 0.021 0.000 0.970 77 E HN 0.351 9.145 8.360 0.017 -0.424 0.486 78 G N -1.271 107.507 108.800 -0.036 0.000 2.238 78 G HA2 -0.355 3.564 3.960 -0.068 0.000 0.217 78 G HA3 -0.355 3.584 3.960 -0.036 0.000 0.217 78 G C -0.159 174.704 174.900 -0.062 0.000 0.996 78 G CA 0.363 45.431 45.100 -0.052 0.000 0.632 78 G HN 0.099 8.519 8.290 -0.046 -0.158 0.503 79 N N 0.259 118.931 118.700 -0.047 0.000 2.320 79 N HA 0.078 4.790 4.740 -0.047 0.000 0.237 79 N C -1.883 173.591 175.510 -0.059 0.000 1.129 79 N CA -0.731 52.295 53.050 -0.041 0.000 0.854 79 N CB 0.623 39.105 38.487 -0.009 0.000 1.083 79 N HN 0.278 8.584 8.380 -0.030 0.056 0.504 80 E N -0.724 119.396 120.200 -0.134 0.000 2.227 80 E HA 0.517 5.053 4.350 -0.059 -0.222 0.268 80 E C -0.411 176.012 176.600 -0.295 0.000 0.990 80 E CA -1.152 55.132 56.400 -0.194 0.000 0.856 80 E CB 1.681 31.171 29.700 -0.351 0.000 1.159 80 E HN -0.516 7.674 8.360 -0.162 0.073 0.401 81 Q N 0.124 119.810 119.800 -0.191 0.000 2.285 81 Q HA 0.327 4.528 4.340 -0.232 0.000 0.269 81 Q C -1.506 174.543 176.000 0.081 0.000 1.030 81 Q CA -1.094 54.631 55.803 -0.130 0.000 0.788 81 Q CB 3.397 32.119 28.738 -0.027 0.000 1.266 81 Q HN 0.261 8.509 8.270 -0.037 0.000 0.438 82 F N 3.425 123.357 119.950 -0.030 0.000 2.427 82 F HA 0.860 5.545 4.527 -0.044 -0.184 0.348 82 F C 0.082 175.858 175.800 -0.039 0.000 1.125 82 F CA -1.695 56.281 58.000 -0.040 0.000 0.989 82 F CB 2.101 41.075 39.000 -0.043 0.000 1.165 82 F HN 0.279 8.546 8.300 -0.055 0.000 0.442 83 I N 4.514 125.164 120.570 0.134 0.000 2.533 83 I HA 0.320 4.517 4.170 0.045 0.000 0.290 83 I C -1.044 175.077 176.117 0.007 0.000 1.056 83 I CA -1.249 60.079 61.300 0.046 0.000 1.057 83 I CB 4.061 42.072 38.000 0.018 0.000 1.240 83 I HN 0.941 9.228 8.210 0.128 0.000 0.423 84 S N 6.395 122.089 115.700 -0.010 0.000 2.617 84 S HA 0.131 4.684 4.470 -0.035 -0.104 0.269 84 S C -0.723 173.847 174.600 -0.050 0.000 1.292 84 S CA 0.695 58.876 58.200 -0.031 0.000 1.010 84 S CB 1.037 64.219 63.200 -0.030 0.000 0.944 84 S HN 0.471 8.778 8.310 -0.005 0.000 0.536 85 A N 2.192 124.981 122.820 -0.052 0.000 2.327 85 A HA 0.418 4.824 4.320 -0.097 -0.144 0.283 85 A C -0.495 177.047 177.584 -0.069 0.000 1.127 85 A CA -0.833 51.163 52.037 -0.069 0.000 0.810 85 A CB 0.861 19.836 19.000 -0.042 0.000 1.066 85 A HN -0.180 7.944 8.150 -0.045 0.000 0.492 86 S N 2.529 118.167 115.700 -0.103 0.000 2.483 86 S HA 0.098 4.533 4.470 -0.058 0.000 0.221 86 S C 0.413 174.979 174.600 -0.057 0.000 1.030 86 S CA 0.875 59.024 58.200 -0.084 0.000 0.925 86 S CB 1.004 64.134 63.200 -0.116 0.000 0.795 86 S HN 0.650 8.758 8.310 -0.154 0.110 0.511 87 K N -0.423 119.936 120.400 -0.069 0.000 2.587 87 K HA 0.263 4.604 4.320 0.034 0.000 0.276 87 K C -2.541 174.085 176.600 0.043 0.000 0.956 87 K CA -0.343 55.946 56.287 0.003 0.000 0.857 87 K CB 2.633 35.143 32.500 0.018 0.000 1.431 87 K HN -0.773 7.404 8.250 -0.122 0.000 0.420 88 S N 1.149 116.924 115.700 0.125 0.000 2.526 88 S HA 0.898 5.652 4.470 0.186 -0.172 0.293 88 S C -0.791 173.924 174.600 0.191 0.000 1.092 88 S CA -0.684 57.632 58.200 0.193 0.000 0.980 88 S CB 2.747 66.119 63.200 0.287 0.000 1.048 88 S HN 0.181 8.569 8.310 0.129 0.000 0.483 89 I N 6.850 127.552 120.570 0.220 0.000 2.468 89 I HA 0.196 4.455 4.170 0.148 0.000 0.284 89 I C -1.713 174.542 176.117 0.231 0.000 1.038 89 I CA -0.442 60.986 61.300 0.212 0.000 1.083 89 I CB 2.838 40.989 38.000 0.252 0.000 1.223 89 I HN 1.024 9.385 8.210 0.251 0.000 0.443 90 V N 7.051 127.031 119.914 0.109 0.000 2.686 90 V HA -0.097 4.073 4.120 0.083 0.000 0.295 90 V C -0.550 175.603 176.094 0.098 0.000 1.057 90 V CA -1.079 61.255 62.300 0.056 0.000 1.012 90 V CB 1.148 32.914 31.823 -0.096 0.000 1.006 90 V HN 0.230 8.441 8.190 0.035 0.000 0.477 91 H N 7.438 126.440 119.070 -0.114 0.000 3.034 91 H HA -0.070 4.086 4.556 -0.667 0.000 0.324 91 H C 0.745 175.969 175.328 -0.174 0.000 1.015 91 H CA 0.652 56.453 56.048 -0.412 0.000 1.429 91 H CB 1.172 30.582 29.762 -0.587 0.000 1.429 91 H HN -0.222 8.064 8.280 0.011 0.000 0.585 92 P HA -0.149 4.217 4.420 -0.090 0.000 0.218 92 P C -0.280 176.989 177.300 -0.051 0.000 1.146 92 P CA 1.794 64.760 63.100 -0.223 0.000 0.813 92 P CB 0.281 31.824 31.700 -0.261 0.000 0.778 93 S N -3.056 112.717 115.700 0.123 0.000 2.601 93 S HA 0.063 4.578 4.470 0.075 0.000 0.244 93 S C -1.051 173.666 174.600 0.195 0.000 1.001 93 S CA -0.243 58.065 58.200 0.179 0.000 0.984 93 S CB 0.902 64.218 63.200 0.193 0.000 0.842 93 S HN -0.432 7.974 8.310 0.224 0.038 0.474 94 Y N 3.765 124.116 120.300 0.084 0.000 2.610 94 Y HA -0.311 4.499 4.550 -0.020 -0.273 0.332 94 Y C -0.836 175.059 175.900 -0.007 0.000 1.201 94 Y CA 0.912 59.018 58.100 0.010 0.000 1.465 94 Y CB 0.822 39.284 38.460 0.004 0.000 1.283 94 Y HN -0.615 7.684 8.280 0.308 0.166 0.563 95 N N 7.264 125.597 118.700 -0.613 0.000 2.518 95 N HA 0.229 4.688 4.740 -0.470 0.000 0.254 95 N C -0.221 174.735 175.510 -0.923 0.000 0.979 95 N CA -1.281 51.419 53.050 -0.584 0.000 0.930 95 N CB 1.464 39.785 38.487 -0.277 0.000 1.152 95 N HN -0.214 7.916 8.380 -0.417 0.000 0.505 96 S N 6.294 121.440 115.700 -0.923 0.000 2.515 96 S HA -0.109 3.979 4.470 -0.637 0.000 0.231 96 S C 0.940 175.358 174.600 -0.303 0.000 0.987 96 S CA 2.344 60.202 58.200 -0.571 0.000 0.936 96 S CB -0.223 62.847 63.200 -0.217 0.000 0.766 96 S HN 0.709 8.588 8.310 -0.718 0.000 0.528 97 N N 1.090 119.615 118.700 -0.291 0.000 2.290 97 N HA -0.038 4.585 4.740 -0.196 0.000 0.179 97 N C 0.915 176.267 175.510 -0.263 0.000 1.016 97 N CA 2.278 55.193 53.050 -0.224 0.000 0.871 97 N CB 0.715 39.099 38.487 -0.172 0.000 0.987 97 N HN -0.076 8.324 8.380 -0.324 -0.215 0.431 98 T N -4.063 110.327 114.554 -0.274 0.000 3.001 98 T HA 0.100 4.236 4.350 -0.357 0.000 0.251 98 T C 0.034 174.529 174.700 -0.341 0.000 1.040 98 T CA -0.438 61.484 62.100 -0.296 0.000 0.985 98 T CB 1.527 70.281 68.868 -0.189 0.000 1.011 98 T HN -0.680 7.572 8.240 -0.272 -0.175 0.509 99 L N -3.560 117.504 121.223 -0.266 0.000 4.089 99 L HA -0.506 3.938 4.340 0.050 -0.074 0.408 99 L C -1.872 175.036 176.870 0.062 0.000 1.184 99 L CA 0.426 55.220 54.840 -0.077 0.000 0.947 99 L CB -2.685 39.256 42.059 -0.197 0.000 2.066 99 L HN -0.314 7.685 8.230 -0.298 0.052 0.851 100 N N -0.843 117.850 118.700 -0.011 0.000 2.520 100 N HA -0.139 4.662 4.740 0.102 0.000 0.273 100 N C -0.105 175.464 175.510 0.098 0.000 1.155 100 N CA 0.599 53.681 53.050 0.053 0.000 0.967 100 N CB 1.172 39.661 38.487 0.004 0.000 1.092 100 N HN -0.790 7.481 8.380 -0.113 0.041 0.457 101 N N -0.734 118.019 118.700 0.088 0.000 2.780 101 N HA -0.467 4.210 4.740 -0.105 0.000 0.247 101 N C -1.356 174.134 175.510 -0.033 0.000 1.076 101 N CA 1.354 54.357 53.050 -0.078 0.000 0.688 101 N CB -1.464 36.900 38.487 -0.204 0.000 0.957 101 N HN 0.633 9.085 8.380 0.120 0.000 0.551 102 D N -0.694 119.731 120.400 0.041 0.000 2.608 102 D HA 0.067 4.685 4.640 -0.036 0.000 0.224 102 D C -2.054 174.159 176.300 -0.145 0.000 1.123 102 D CA -0.272 53.743 54.000 0.026 0.000 1.030 102 D CB -0.749 40.175 40.800 0.207 0.000 1.093 102 D HN -0.063 8.349 8.370 0.070 0.000 0.497 103 I N 1.532 121.946 120.570 -0.261 0.000 2.752 103 I HA 0.759 5.038 4.170 -0.114 -0.177 0.295 103 I C -3.061 173.019 176.117 -0.061 0.000 1.219 103 I CA -1.569 59.614 61.300 -0.196 0.000 1.030 103 I CB 3.759 41.519 38.000 -0.400 0.000 1.259 103 I HN -0.208 7.786 8.210 -0.286 0.044 0.423 104 M N 4.317 123.962 119.600 0.076 0.000 2.569 104 M HA 0.802 5.587 4.480 0.313 -0.117 0.279 104 M C -2.742 173.706 176.300 0.247 0.000 1.253 104 M CA -1.102 54.316 55.300 0.196 0.000 0.867 104 M CB 4.709 37.373 32.600 0.106 0.000 1.727 104 M HN 0.578 8.904 8.290 0.061 0.000 0.467 105 L N -0.169 121.230 121.223 0.292 0.000 2.346 105 L HA 0.903 5.580 4.340 0.261 -0.180 0.274 105 L C -1.312 175.761 176.870 0.338 0.000 1.007 105 L CA -1.487 53.529 54.840 0.293 0.000 0.818 105 L CB 3.735 45.906 42.059 0.187 0.000 1.284 105 L HN 0.594 9.023 8.230 0.331 0.000 0.424 106 I N 0.985 121.743 120.570 0.314 0.000 2.447 106 I HA 0.518 4.924 4.170 0.116 -0.166 0.287 106 I C -1.661 174.403 176.117 -0.088 0.000 1.023 106 I CA -1.230 60.148 61.300 0.129 0.000 1.083 106 I CB 2.757 40.808 38.000 0.085 0.000 1.245 106 I HN 0.805 9.222 8.210 0.346 0.000 0.434 107 K N 6.800 126.945 120.400 -0.425 0.000 2.130 107 K HA 0.673 4.404 4.320 -1.262 -0.169 0.268 107 K C -1.043 175.278 176.600 -0.464 0.000 0.983 107 K CA -1.990 53.719 56.287 -0.962 0.000 0.893 107 K CB 3.239 34.956 32.500 -1.306 0.000 1.066 107 K HN 0.735 8.828 8.250 -0.262 0.000 0.450 108 L N 4.548 125.521 121.223 -0.417 0.000 2.375 108 L HA 0.165 4.520 4.340 -0.163 -0.112 0.271 108 L C 1.341 178.094 176.870 -0.196 0.000 1.107 108 L CA -0.022 54.687 54.840 -0.219 0.000 0.806 108 L CB 0.399 42.367 42.059 -0.151 0.000 1.146 108 L HN 0.519 8.419 8.230 -0.550 0.000 0.447 109 K N 1.821 122.147 120.400 -0.124 0.000 2.211 109 K HA -0.250 4.005 4.320 -0.109 0.000 0.203 109 K C 0.169 176.721 176.600 -0.079 0.000 1.050 109 K CA 2.464 58.694 56.287 -0.095 0.000 0.945 109 K CB 0.435 32.899 32.500 -0.061 0.000 0.732 109 K HN 0.531 8.721 8.250 -0.100 0.000 0.451 110 S N -3.690 111.967 115.700 -0.071 0.000 2.570 110 S HA 0.135 4.575 4.470 -0.049 0.000 0.286 110 S C -1.857 172.711 174.600 -0.053 0.000 1.099 110 S CA -1.167 57.002 58.200 -0.051 0.000 0.913 110 S CB 2.320 65.501 63.200 -0.032 0.000 1.085 110 S HN -0.463 7.774 8.310 -0.074 0.028 0.480 111 A N 2.078 124.875 122.820 -0.039 0.000 2.388 111 A HA 0.085 4.536 4.320 -0.040 -0.156 0.257 111 A C -0.590 176.985 177.584 -0.013 0.000 1.095 111 A CA -0.235 51.785 52.037 -0.027 0.000 0.791 111 A CB 0.868 19.861 19.000 -0.011 0.000 1.029 111 A HN 0.212 8.342 8.150 -0.032 0.000 0.489 112 A N 2.679 125.497 122.820 -0.004 0.000 2.332 112 A HA 0.171 4.578 4.320 0.001 -0.087 0.258 112 A C -0.395 177.195 177.584 0.009 0.000 1.087 112 A CA -0.895 51.145 52.037 0.006 0.000 0.802 112 A CB 1.075 20.087 19.000 0.021 0.000 1.042 112 A HN 0.365 8.407 8.150 -0.004 0.106 0.489 113 S N 0.575 116.279 115.700 0.006 0.000 2.422 113 S HA 0.132 4.607 4.470 0.008 0.000 0.298 113 S C -1.027 173.582 174.600 0.014 0.000 1.118 113 S CA -0.646 57.558 58.200 0.006 0.000 1.083 113 S CB 0.232 63.430 63.200 -0.003 0.000 0.971 113 S HN -0.002 8.652 8.310 0.003 -0.343 0.478 114 L N 6.461 127.697 121.223 0.021 0.000 2.350 114 L HA 0.086 4.559 4.340 0.033 -0.113 0.275 114 L C -0.399 176.485 176.870 0.022 0.000 1.099 114 L CA -0.161 54.697 54.840 0.029 0.000 0.808 114 L CB 0.628 42.709 42.059 0.037 0.000 1.149 114 L HN 0.310 8.552 8.230 0.020 0.000 0.442 115 N N 2.536 121.250 118.700 0.024 0.000 3.449 115 N HA 0.190 4.941 4.740 0.017 0.000 0.312 115 N C -0.608 174.915 175.510 0.022 0.000 1.582 115 N CA -0.619 52.442 53.050 0.018 0.000 0.850 115 N CB 0.879 39.372 38.487 0.009 0.000 1.822 115 N HN 0.398 8.687 8.380 0.030 0.109 0.577 116 S N -1.992 113.719 115.700 0.018 0.000 2.399 116 S HA -0.325 4.160 4.470 0.025 0.000 0.231 116 S C 0.734 175.345 174.600 0.018 0.000 1.022 116 S CA 2.734 60.946 58.200 0.019 0.000 0.983 116 S CB -0.332 62.876 63.200 0.014 0.000 0.803 116 S HN 0.249 8.567 8.310 0.013 0.000 0.480 117 R N -0.975 119.534 120.500 0.014 0.000 2.254 117 R HA 0.049 4.393 4.340 0.006 0.000 0.195 117 R C -1.311 174.999 176.300 0.016 0.000 0.957 117 R CA 0.721 56.827 56.100 0.011 0.000 1.024 117 R CB 1.151 31.456 30.300 0.008 0.000 0.952 117 R HN -0.277 8.227 8.270 0.013 -0.226 0.484 118 V N -1.234 118.696 119.914 0.026 0.000 2.447 118 V HA 0.296 4.637 4.120 0.042 -0.195 0.292 118 V C -2.029 174.099 176.094 0.057 0.000 1.021 118 V CA -1.170 61.155 62.300 0.041 0.000 0.850 118 V CB 2.178 34.023 31.823 0.036 0.000 1.005 118 V HN -0.612 7.612 8.190 0.025 -0.019 0.426 119 A N 7.142 130.012 122.820 0.084 0.000 2.527 119 A HA 0.643 5.012 4.320 0.081 0.000 0.293 119 A C -2.795 174.880 177.584 0.151 0.000 1.117 119 A CA -1.770 50.329 52.037 0.104 0.000 0.723 119 A CB 3.001 22.066 19.000 0.108 0.000 1.313 119 A HN 0.257 8.334 8.150 0.088 0.126 0.411 120 S N -1.864 113.912 115.700 0.127 0.000 2.687 120 S HA 0.667 5.373 4.470 0.163 -0.138 0.283 120 S C -0.862 173.796 174.600 0.096 0.000 1.170 120 S CA -1.075 57.201 58.200 0.127 0.000 1.008 120 S CB 1.881 65.134 63.200 0.088 0.000 1.026 120 S HN -0.037 8.332 8.310 0.098 0.000 0.541 121 I N 0.548 121.133 120.570 0.025 0.000 2.562 121 I HA 0.236 4.336 4.170 -0.117 0.000 0.301 121 I C -1.480 174.591 176.117 -0.076 0.000 1.003 121 I CA -1.887 59.331 61.300 -0.137 0.000 1.127 121 I CB 3.623 41.339 38.000 -0.474 0.000 1.304 121 I HN 0.289 8.529 8.210 0.050 0.000 0.446 122 S N 6.260 121.912 115.700 -0.080 0.000 2.601 122 S HA 0.226 4.682 4.470 -0.024 0.000 0.271 122 S C -0.711 173.863 174.600 -0.043 0.000 1.305 122 S CA 0.023 58.197 58.200 -0.043 0.000 1.022 122 S CB 0.769 63.948 63.200 -0.035 0.000 0.940 122 S HN 0.322 8.570 8.310 -0.103 0.000 0.525 123 L N 2.125 123.336 121.223 -0.020 0.000 2.399 123 L HA 0.213 4.552 4.340 -0.002 0.000 0.266 123 L C -1.211 175.655 176.870 -0.007 0.000 1.114 123 L CA -2.410 52.427 54.840 -0.004 0.000 0.804 123 L CB 0.391 42.454 42.059 0.007 0.000 1.146 123 L HN 0.252 8.473 8.230 -0.016 0.000 0.451 124 P HA 0.118 4.526 4.420 -0.019 0.000 0.276 124 P C -1.144 176.154 177.300 -0.003 0.000 1.244 124 P CA -0.537 62.559 63.100 -0.008 0.000 0.801 124 P CB 0.527 32.223 31.700 -0.007 0.000 1.006 128 c N 1.603 120.174 118.600 -0.048 0.000 2.466 128 c HA 0.126 4.650 4.570 -0.076 0.000 0.379 128 c C 0.305 174.333 174.090 -0.104 0.000 1.251 128 c CA -0.021 56.263 56.329 -0.076 0.000 2.263 128 c CB 0.112 42.580 42.510 -0.070 0.000 2.511 128 c HN -0.024 8.181 8.230 -0.042 0.000 0.573 129 A N 3.446 126.171 122.820 -0.158 0.000 2.304 129 A HA -0.016 4.234 4.320 -0.116 0.000 0.271 129 A C -1.018 176.465 177.584 -0.167 0.000 1.091 129 A CA -0.038 51.902 52.037 -0.161 0.000 0.812 129 A CB 0.698 19.576 19.000 -0.204 0.000 1.056 129 A HN 0.096 8.128 8.150 -0.197 0.000 0.489 133 G N 0.698 109.457 108.800 -0.068 0.000 2.258 133 G HA2 -0.292 3.635 3.960 -0.055 0.000 0.233 133 G HA3 -0.292 3.640 3.960 -0.046 0.000 0.233 133 G C -0.091 174.771 174.900 -0.063 0.000 1.006 133 G CA 0.024 45.090 45.100 -0.057 0.000 0.620 133 G HN 0.667 8.793 8.290 -0.072 0.121 0.511 134 T N 3.910 118.415 114.554 -0.080 0.000 2.928 134 T HA -0.148 4.166 4.350 -0.059 0.000 0.305 134 T C -0.720 173.936 174.700 -0.074 0.000 1.035 134 T CA 2.302 64.355 62.100 -0.078 0.000 1.145 134 T CB 0.431 69.237 68.868 -0.104 0.000 0.963 134 T HN -0.529 7.568 8.240 -0.094 0.086 0.545 135 Q N 4.484 124.254 119.800 -0.049 0.000 2.243 135 Q HA 0.128 4.563 4.340 -0.046 -0.123 0.252 135 Q C -0.852 175.129 176.000 -0.031 0.000 0.909 135 Q CA 0.079 55.862 55.803 -0.033 0.000 0.922 135 Q CB 1.595 30.332 28.738 -0.002 0.000 1.215 135 Q HN 0.224 8.470 8.270 -0.040 0.000 0.427 136 c N 0.786 119.368 118.600 -0.029 0.000 2.913 136 c HA 0.643 5.313 4.570 -0.018 -0.110 0.322 136 c C -1.736 172.358 174.090 0.006 0.000 1.292 136 c CA -1.407 54.908 56.329 -0.024 0.000 1.649 136 c CB 4.293 46.771 42.510 -0.053 0.000 2.139 136 c HN 0.780 8.878 8.230 -0.032 0.113 0.475 137 L N 0.613 121.847 121.223 0.019 0.000 2.325 137 L HA 0.823 5.364 4.340 0.048 -0.173 0.281 137 L C -2.222 174.662 176.870 0.023 0.000 1.004 137 L CA -1.278 53.587 54.840 0.042 0.000 0.823 137 L CB 3.283 45.391 42.059 0.081 0.000 1.236 137 L HN 0.707 8.833 8.230 0.013 0.112 0.415 138 I N 7.654 128.221 120.570 -0.005 0.000 2.474 138 I HA 0.869 5.279 4.170 0.014 -0.231 0.294 138 I C -1.336 174.750 176.117 -0.052 0.000 1.005 138 I CA -1.542 59.752 61.300 -0.010 0.000 1.113 138 I CB 2.573 40.565 38.000 -0.013 0.000 1.289 138 I HN 0.944 9.150 8.210 -0.006 0.000 0.436 139 S N 2.561 118.229 115.700 -0.054 0.000 2.588 139 S HA 0.997 5.499 4.470 -0.215 -0.161 0.275 139 S C -1.188 173.304 174.600 -0.180 0.000 1.130 139 S CA -1.725 56.372 58.200 -0.173 0.000 0.855 139 S CB 3.766 66.831 63.200 -0.225 0.000 1.116 139 S HN -0.191 8.120 8.310 0.001 0.000 0.472 140 G N -1.203 107.401 108.800 -0.326 0.000 2.316 140 G HA2 0.169 3.927 3.960 -0.338 0.000 0.296 140 G HA3 0.169 4.250 3.960 -0.040 -0.145 0.296 140 G C -2.475 172.225 174.900 -0.333 0.000 1.399 140 G CA 0.611 45.555 45.100 -0.261 0.000 0.833 140 G HN 0.224 8.263 8.290 -0.419 0.000 0.565 141 W N 1.207 122.478 121.300 -0.047 0.000 2.937 141 W HA 0.415 5.029 4.660 -0.077 0.000 0.435 141 W C -0.338 176.216 176.519 0.058 0.000 0.912 141 W CA -1.000 56.288 57.345 -0.095 0.000 2.209 141 W CB 0.119 29.357 29.460 -0.371 0.000 1.144 141 W HN 0.577 8.956 8.180 0.332 0.000 0.762 142 G N 0.708 109.644 108.800 0.227 0.000 2.557 142 G HA2 0.012 4.225 3.960 0.404 0.000 0.292 142 G HA3 0.012 4.178 3.960 0.173 -0.102 0.292 142 G C -0.912 173.913 174.900 -0.126 0.000 1.237 142 G CA -0.925 44.287 45.100 0.186 0.000 0.978 142 G HN -0.344 8.188 8.290 0.135 -0.161 0.498 143 N N -0.376 118.068 118.700 -0.427 0.000 2.356 143 N HA -0.299 4.012 4.740 -1.018 -0.181 0.252 143 N C 0.746 176.100 175.510 -0.260 0.000 1.241 143 N CA 1.272 53.940 53.050 -0.636 0.000 0.861 143 N CB 0.564 38.756 38.487 -0.492 0.000 1.075 143 N HN 0.204 8.425 8.380 -0.265 0.000 0.461 144 T N -0.100 114.324 114.554 -0.217 0.000 3.085 144 T HA 0.171 4.579 4.350 -0.084 -0.108 0.264 144 T C 0.007 174.664 174.700 -0.071 0.000 1.019 144 T CA 0.161 62.198 62.100 -0.105 0.000 0.910 144 T CB 1.267 70.090 68.868 -0.074 0.000 1.059 144 T HN 0.321 8.400 8.240 -0.270 0.000 0.542 145 K N 1.607 121.960 120.400 -0.079 0.000 2.259 145 K HA 0.363 4.668 4.320 -0.026 0.000 0.252 145 K C -0.262 176.324 176.600 -0.022 0.000 0.936 145 K CA -2.150 54.114 56.287 -0.037 0.000 0.810 145 K CB 2.422 34.905 32.500 -0.028 0.000 1.143 145 K HN -0.612 7.780 8.250 -0.123 -0.216 0.427 146 S N 1.913 117.610 115.700 -0.005 0.000 2.377 146 S HA -0.160 4.380 4.470 0.011 -0.064 0.223 146 S C -0.024 174.585 174.600 0.014 0.000 1.030 146 S CA 2.155 60.361 58.200 0.009 0.000 0.970 146 S CB 0.538 63.746 63.200 0.014 0.000 0.830 146 S HN 0.278 8.586 8.310 -0.004 0.000 0.473 147 S N 0.964 116.671 115.700 0.011 0.000 2.269 147 S HA 0.125 4.607 4.470 0.021 0.000 0.194 147 S C -1.128 173.481 174.600 0.015 0.000 1.547 147 S CA -0.182 58.028 58.200 0.016 0.000 1.186 147 S CB -0.410 62.799 63.200 0.015 0.000 1.069 147 S HN -0.383 7.931 8.310 0.007 0.000 0.473 148 G N 2.616 111.426 108.800 0.017 0.000 2.368 148 G HA2 -0.148 3.829 3.960 0.028 0.000 0.302 148 G HA3 -0.148 3.822 3.960 0.016 0.000 0.302 148 G C -2.727 172.185 174.900 0.020 0.000 1.329 148 G CA -0.107 45.005 45.100 0.020 0.000 0.935 148 G HN -0.395 7.907 8.290 0.020 0.000 0.590 149 T N -0.177 114.398 114.554 0.035 0.000 2.881 149 T HA 0.163 4.683 4.350 -0.004 -0.172 0.291 149 T C -1.499 173.232 174.700 0.053 0.000 0.990 149 T CA -0.221 61.910 62.100 0.053 0.000 0.976 149 T CB 2.101 71.053 68.868 0.140 0.000 0.970 149 T HN -0.090 8.173 8.240 0.040 0.000 0.438 150 S N 6.000 121.680 115.700 -0.033 0.000 2.706 150 S HA 0.214 4.744 4.470 0.100 0.000 0.270 150 S C -2.192 172.349 174.600 -0.099 0.000 1.163 150 S CA 0.310 58.515 58.200 0.009 0.000 1.042 150 S CB 1.194 64.389 63.200 -0.008 0.000 1.079 150 S HN 0.581 9.163 8.310 -0.177 -0.378 0.474 151 Y N 5.837 126.171 120.300 0.056 0.000 2.335 151 Y HA 0.287 4.888 4.550 0.085 0.000 0.339 151 Y C -1.144 174.801 175.900 0.074 0.000 0.987 151 Y CA -2.485 55.660 58.100 0.075 0.000 1.140 151 Y CB 1.003 39.513 38.460 0.083 0.000 1.173 151 Y HN 0.173 8.648 8.280 0.325 0.000 0.486 152 P HA 0.361 4.852 4.420 0.118 0.000 0.278 152 P C -1.709 175.717 177.300 0.211 0.000 1.258 152 P CA -0.691 62.498 63.100 0.148 0.000 0.811 152 P CB 2.214 33.968 31.700 0.090 0.000 1.063 153 D N -1.829 118.677 120.400 0.176 0.000 2.423 153 D HA -0.029 4.692 4.640 0.135 0.000 0.208 153 D C -1.521 174.949 176.300 0.285 0.000 1.068 153 D CA 0.743 54.843 54.000 0.167 0.000 0.860 153 D CB 1.039 41.892 40.800 0.090 0.000 0.992 153 D HN 0.407 8.859 8.370 0.136 0.000 0.504 154 V N -6.834 113.238 119.914 0.264 0.000 2.850 154 V HA 0.634 5.216 4.120 0.381 -0.233 0.315 154 V C -0.826 175.311 176.094 0.071 0.000 1.064 154 V CA -2.799 59.647 62.300 0.244 0.000 0.979 154 V CB 2.170 34.056 31.823 0.105 0.000 1.039 154 V HN -0.960 7.341 8.190 0.184 0.000 0.452 155 L N 2.347 123.480 121.223 -0.151 0.000 2.455 155 L HA -0.039 3.559 4.340 -1.236 0.000 0.272 155 L C -0.328 176.296 176.870 -0.410 0.000 1.174 155 L CA 0.756 55.190 54.840 -0.678 0.000 0.869 155 L CB 0.776 42.409 42.059 -0.710 0.000 1.130 155 L HN -0.200 8.250 8.230 0.039 -0.196 0.474 156 K N 5.288 125.420 120.400 -0.446 0.000 2.203 156 K HA 0.707 4.999 4.320 -0.334 -0.173 0.251 156 K C -1.208 175.136 176.600 -0.427 0.000 0.944 156 K CA -2.625 53.449 56.287 -0.355 0.000 0.829 156 K CB 2.698 35.053 32.500 -0.241 0.000 1.125 156 K HN -0.189 7.722 8.250 -0.564 0.000 0.430 157 c N -0.409 117.837 118.600 -0.591 0.000 2.707 157 c HA 0.992 5.505 4.570 -0.399 -0.182 0.313 157 c C -1.760 171.972 174.090 -0.597 0.000 1.209 157 c CA -0.823 55.113 56.329 -0.656 0.000 1.635 157 c CB 3.603 45.550 42.510 -0.938 0.000 2.206 157 c HN 0.709 8.515 8.230 -0.707 0.000 0.485 158 L N 1.159 122.231 121.223 -0.251 0.000 2.493 158 L HA 0.449 4.818 4.340 0.048 0.000 0.265 158 L C -2.593 174.332 176.870 0.092 0.000 0.954 158 L CA 0.161 54.992 54.840 -0.016 0.000 0.844 158 L CB 4.414 46.482 42.059 0.015 0.000 1.302 158 L HN 0.794 8.909 8.230 -0.191 0.000 0.405 159 K N 6.474 126.991 120.400 0.195 0.000 2.185 159 K HA 0.909 5.522 4.320 0.111 -0.227 0.269 159 K C -0.965 175.754 176.600 0.199 0.000 0.987 159 K CA -0.950 55.436 56.287 0.165 0.000 0.865 159 K CB 1.660 34.264 32.500 0.173 0.000 1.090 159 K HN 0.329 8.733 8.250 0.256 0.000 0.450 160 A N 3.733 126.607 122.820 0.091 0.000 2.549 160 A HA 0.674 4.988 4.320 -0.010 0.000 0.297 160 A C -3.418 174.096 177.584 -0.117 0.000 1.061 160 A CA -2.530 49.491 52.037 -0.027 0.000 0.690 160 A CB 3.029 22.008 19.000 -0.034 0.000 1.287 160 A HN 0.722 8.897 8.150 0.042 0.000 0.402 161 P HA 0.726 5.292 4.420 -0.103 -0.208 0.282 161 P C -1.114 176.107 177.300 -0.130 0.000 1.259 161 P CA -1.420 61.590 63.100 -0.151 0.000 0.826 161 P CB 1.661 33.273 31.700 -0.147 0.000 1.064 162 I N -0.245 120.269 120.570 -0.094 0.000 2.529 162 I HA -0.062 4.242 4.170 0.046 -0.107 0.284 162 I C 0.228 176.323 176.117 -0.037 0.000 1.082 162 I CA 0.554 61.825 61.300 -0.047 0.000 1.406 162 I CB 0.337 38.237 38.000 -0.167 0.000 1.405 162 I HN 0.128 8.275 8.210 -0.104 0.000 0.548 163 L N 6.479 127.714 121.223 0.020 0.000 2.387 163 L HA 0.266 4.591 4.340 -0.025 0.000 0.266 163 L C -0.464 176.421 176.870 0.025 0.000 1.059 163 L CA -1.046 53.799 54.840 0.007 0.000 0.801 163 L CB 0.710 42.782 42.059 0.021 0.000 1.223 163 L HN 0.150 8.437 8.230 0.095 0.000 0.456 164 S N -0.711 114.997 115.700 0.013 0.000 2.572 164 S HA -0.072 4.403 4.470 0.008 0.000 0.279 164 S C 0.682 175.306 174.600 0.040 0.000 1.341 164 S CA -0.581 57.629 58.200 0.016 0.000 1.043 164 S CB 1.156 64.361 63.200 0.008 0.000 0.887 164 S HN 0.066 8.379 8.310 0.004 0.000 0.516 165 D N 3.157 123.583 120.400 0.043 0.000 2.178 165 D HA -0.273 4.418 4.640 0.085 0.000 0.201 165 D C 1.933 178.265 176.300 0.054 0.000 0.980 165 D CA 3.765 57.802 54.000 0.062 0.000 0.842 165 D CB -0.303 40.531 40.800 0.056 0.000 0.948 165 D HN 0.549 8.937 8.370 0.030 0.000 0.472 166 S N -0.917 114.805 115.700 0.037 0.000 2.368 166 S HA -0.325 4.165 4.470 0.034 0.000 0.225 166 S C 1.903 176.521 174.600 0.029 0.000 1.030 166 S CA 3.331 61.549 58.200 0.030 0.000 0.999 166 S CB -0.148 63.064 63.200 0.019 0.000 0.844 166 S HN 0.113 8.424 8.310 0.029 0.016 0.459 167 S N 2.236 117.952 115.700 0.026 0.000 2.406 167 S HA -0.170 4.304 4.470 0.007 0.000 0.228 167 S C 2.013 176.629 174.600 0.026 0.000 1.020 167 S CA 3.080 61.290 58.200 0.017 0.000 0.965 167 S CB -0.214 62.993 63.200 0.012 0.000 0.798 167 S HN -0.373 7.953 8.310 0.026 0.000 0.488 168 c N 3.777 122.412 118.600 0.058 0.000 2.462 168 c HA -0.250 4.386 4.570 0.110 0.000 0.278 168 c C 1.976 176.146 174.090 0.132 0.000 1.253 168 c CA 2.950 59.342 56.329 0.105 0.000 1.713 168 c CB -1.826 40.753 42.510 0.115 0.000 2.049 168 c HN -0.296 7.873 8.230 0.058 0.097 0.477 169 K N -1.170 119.293 120.400 0.105 0.000 2.148 169 K HA -0.321 4.095 4.320 0.161 0.000 0.204 169 K C 2.158 178.801 176.600 0.072 0.000 1.050 169 K CA 3.133 59.485 56.287 0.110 0.000 0.942 169 K CB -0.082 32.467 32.500 0.083 0.000 0.724 169 K HN 0.197 8.499 8.250 0.086 0.000 0.446 170 S N -1.203 114.516 115.700 0.031 0.000 2.428 170 S HA -0.228 4.248 4.470 0.011 0.000 0.230 170 S C 0.706 175.273 174.600 -0.055 0.000 1.014 170 S CA 2.681 60.880 58.200 -0.002 0.000 0.957 170 S CB -0.024 63.170 63.200 -0.009 0.000 0.784 170 S HN -0.404 7.911 8.310 0.031 0.014 0.499 171 A N -0.677 122.076 122.820 -0.113 0.000 1.930 171 A HA -0.073 4.079 4.320 -0.279 0.000 0.215 171 A C -0.870 176.417 177.584 -0.494 0.000 1.176 171 A CA 1.723 53.546 52.037 -0.356 0.000 0.632 171 A CB 0.889 19.587 19.000 -0.505 0.000 0.819 171 A HN -0.789 7.205 8.150 -0.056 0.123 0.445 172 Y N -5.056 115.286 120.300 0.071 0.000 2.747 172 Y HA 0.458 5.083 4.550 0.126 0.000 0.362 172 Y C -2.541 173.423 175.900 0.106 0.000 1.026 172 Y CA -3.083 55.092 58.100 0.126 0.000 1.135 172 Y CB -0.230 38.367 38.460 0.229 0.000 1.175 172 Y HN -0.582 7.732 8.280 0.055 0.000 0.643 173 P HA 0.005 4.587 4.420 0.103 -0.101 0.263 173 P C 0.491 177.857 177.300 0.110 0.000 1.195 173 P CA 0.470 63.635 63.100 0.109 0.000 0.762 173 P CB 0.173 31.910 31.700 0.062 0.000 0.799 174 G N 5.123 113.980 108.800 0.095 0.000 2.168 174 G HA2 -0.242 3.754 3.960 0.060 0.000 0.263 174 G HA3 -0.242 3.749 3.960 0.052 0.000 0.263 174 G C 0.040 174.988 174.900 0.080 0.000 0.977 174 G CA 0.822 45.965 45.100 0.071 0.000 0.659 174 G HN 0.457 8.802 8.290 0.091 0.000 0.533 175 Q N -2.181 117.704 119.800 0.141 0.000 2.280 175 Q HA 0.083 4.456 4.340 0.054 0.000 0.228 175 Q C -0.374 175.753 176.000 0.212 0.000 0.857 175 Q CA -0.223 55.666 55.803 0.144 0.000 0.939 175 Q CB 1.564 30.418 28.738 0.194 0.000 1.114 175 Q HN -0.324 7.998 8.270 0.184 0.059 0.514 176 I N 0.117 120.813 120.570 0.210 0.000 2.331 176 I HA 0.022 4.337 4.170 0.241 0.000 0.292 176 I C -0.013 176.181 176.117 0.128 0.000 0.998 176 I CA -2.048 59.367 61.300 0.191 0.000 1.267 176 I CB -0.759 37.344 38.000 0.171 0.000 1.386 176 I HN -0.552 7.773 8.210 0.192 0.000 0.476 177 T N 2.517 117.144 114.554 0.121 0.000 2.922 177 T HA 0.381 4.773 4.350 0.070 0.000 0.281 177 T C 0.827 175.578 174.700 0.085 0.000 1.005 177 T CA -2.185 59.966 62.100 0.085 0.000 0.982 177 T CB 2.529 71.441 68.868 0.073 0.000 1.158 177 T HN -0.380 7.948 8.240 0.147 0.000 0.566 178 S N -1.793 113.943 115.700 0.060 0.000 2.547 178 S HA -0.240 4.268 4.470 0.063 0.000 0.235 178 S C 0.282 174.920 174.600 0.064 0.000 0.980 178 S CA 2.021 60.252 58.200 0.053 0.000 0.941 178 S CB -0.257 62.956 63.200 0.021 0.000 0.763 178 S HN 0.291 8.628 8.310 0.046 0.000 0.532 179 N N 0.399 119.149 118.700 0.082 0.000 2.251 179 N HA 0.179 4.971 4.740 0.087 0.000 0.217 179 N C -1.724 173.898 175.510 0.187 0.000 1.124 179 N CA -0.426 52.700 53.050 0.126 0.000 0.843 179 N CB 0.838 39.422 38.487 0.160 0.000 1.024 179 N HN -0.622 7.734 8.380 0.082 0.073 0.501 180 M N -1.216 118.480 119.600 0.160 0.000 2.550 180 M HA 0.787 5.510 4.480 0.073 -0.200 0.292 180 M C -2.091 174.311 176.300 0.170 0.000 1.221 180 M CA -0.310 55.056 55.300 0.110 0.000 0.873 180 M CB 5.103 37.742 32.600 0.065 0.000 1.727 180 M HN -0.713 7.574 8.290 0.144 0.089 0.459 181 F N -4.631 115.354 119.950 0.058 0.000 2.662 181 F HA 0.642 5.193 4.527 0.039 0.000 0.312 181 F C -2.604 173.242 175.800 0.076 0.000 1.113 181 F CA -2.097 55.937 58.000 0.055 0.000 0.951 181 F CB 2.368 41.400 39.000 0.052 0.000 1.344 181 F HN 0.133 8.261 8.300 -0.287 0.000 0.462 182 c N -0.359 118.387 118.600 0.243 0.000 2.391 182 c HA 0.987 5.789 4.570 0.065 -0.192 0.339 182 c C -1.112 173.153 174.090 0.292 0.000 1.205 182 c CA -1.073 55.355 56.329 0.165 0.000 1.937 182 c CB 2.915 45.490 42.510 0.109 0.000 2.341 182 c HN 0.851 9.276 8.230 0.324 0.000 0.516 183 A N 2.770 125.746 122.820 0.260 0.000 2.446 183 A HA 0.665 5.155 4.320 0.059 -0.135 0.282 183 A C -2.343 175.274 177.584 0.055 0.000 1.102 183 A CA -0.582 51.511 52.037 0.093 0.000 0.737 183 A CB 2.755 21.681 19.000 -0.125 0.000 1.212 183 A HN 0.341 8.702 8.150 0.351 0.000 0.434 184 Y N 3.165 123.495 120.300 0.050 0.000 2.350 184 Y HA -0.078 4.491 4.550 0.032 0.000 0.340 184 Y C 0.416 176.333 175.900 0.028 0.000 1.006 184 Y CA -0.691 57.430 58.100 0.035 0.000 1.166 184 Y CB 0.773 39.251 38.460 0.030 0.000 1.168 184 Y HN 0.052 8.454 8.280 0.203 0.000 0.502 185 L N 2.673 123.969 121.223 0.122 0.000 2.201 185 L HA -0.368 4.005 4.340 0.055 0.000 0.212 185 L C 1.520 178.436 176.870 0.077 0.000 1.105 185 L CA 2.634 57.517 54.840 0.071 0.000 0.775 185 L CB -0.179 41.903 42.059 0.037 0.000 0.913 185 L HN 0.415 8.702 8.230 0.094 0.000 0.440 186 E N -3.154 117.109 120.200 0.105 0.000 2.153 186 E HA -0.201 4.177 4.350 0.048 0.000 0.194 186 E C 0.321 176.957 176.600 0.061 0.000 0.988 186 E CA 1.236 57.677 56.400 0.069 0.000 0.811 186 E CB 0.096 29.835 29.700 0.065 0.000 0.746 186 E HN 0.215 8.640 8.360 0.147 0.023 0.466 187 G N -1.483 107.373 108.800 0.094 0.000 3.434 187 G HA2 -0.309 3.709 3.960 0.097 0.000 0.686 187 G HA3 -0.309 3.725 3.960 0.051 -0.044 0.686 187 G C -0.996 173.932 174.900 0.046 0.000 1.099 187 G CA -0.430 44.714 45.100 0.075 0.000 0.931 187 G HN -0.721 7.532 8.290 0.150 0.127 0.520 188 K N 2.178 122.590 120.400 0.019 0.000 6.706 188 K HA -0.587 3.992 4.320 0.030 -0.241 0.669 188 K C -1.350 175.351 176.600 0.168 0.000 2.465 188 K CA 0.823 57.147 56.287 0.061 0.000 1.801 188 K CB 0.159 32.635 32.500 -0.040 0.000 1.883 188 K HN 0.309 8.592 8.250 0.056 0.000 0.285 189 D N 0.425 120.901 120.400 0.127 0.000 2.755 189 D HA 0.251 5.001 4.640 0.183 0.000 0.277 189 D C -1.851 174.512 176.300 0.105 0.000 1.261 189 D CA -0.589 53.494 54.000 0.138 0.000 0.759 189 D CB 3.663 44.530 40.800 0.111 0.000 1.279 189 D HN -0.105 8.316 8.370 0.086 0.000 0.420 190 S N -1.218 114.559 115.700 0.129 0.000 2.686 190 S HA 0.207 4.724 4.470 0.077 0.000 0.270 190 S C -1.426 173.213 174.600 0.066 0.000 1.194 190 S CA -0.053 58.210 58.200 0.105 0.000 0.990 190 S CB 1.472 64.773 63.200 0.170 0.000 1.029 190 S HN 0.222 8.632 8.310 0.166 0.000 0.560 191 c N -1.809 116.829 118.600 0.063 0.000 3.293 191 c HA 0.254 4.858 4.570 0.057 0.000 0.362 191 c C -1.555 172.594 174.090 0.098 0.000 1.539 191 c CA -0.553 55.810 56.329 0.057 0.000 1.201 191 c CB 3.186 45.705 42.510 0.015 0.000 1.770 191 c HN 0.246 8.786 8.230 0.075 -0.265 0.440 192 Q N 1.991 121.860 119.800 0.115 0.000 2.286 192 Q HA -0.248 4.210 4.340 0.197 0.000 0.290 192 Q C 0.624 176.789 176.000 0.275 0.000 1.049 192 Q CA 1.999 57.918 55.803 0.193 0.000 0.923 192 Q CB 0.538 29.399 28.738 0.205 0.000 1.183 192 Q HN 0.545 8.868 8.270 0.089 0.000 0.383 193 G N 6.606 115.596 108.800 0.317 0.000 2.218 193 G HA2 -0.386 3.793 3.960 0.366 0.000 0.216 193 G HA3 -0.386 3.926 3.960 0.587 0.000 0.216 193 G C 0.381 175.516 174.900 0.391 0.000 0.994 193 G CA 0.890 46.245 45.100 0.425 0.000 0.637 193 G HN 0.861 9.313 8.290 0.270 0.000 0.505 194 D N 0.916 121.473 120.400 0.262 0.000 2.346 194 D HA 0.128 4.916 4.640 0.246 0.000 0.206 194 D C 0.109 176.511 176.300 0.169 0.000 1.001 194 D CA 0.662 54.786 54.000 0.207 0.000 0.871 194 D CB 0.692 41.576 40.800 0.139 0.000 0.943 194 D HN 0.040 8.452 8.370 0.225 0.093 0.518 195 S N -0.618 115.180 115.700 0.164 0.000 2.573 195 S HA -0.523 4.178 4.470 0.145 -0.144 0.297 195 S C 1.015 175.636 174.600 0.035 0.000 1.280 195 S CA 2.598 60.873 58.200 0.125 0.000 1.061 195 S CB 0.143 63.441 63.200 0.163 0.000 0.812 195 S HN -0.354 8.072 8.310 0.193 0.000 0.500 196 G N 4.144 112.956 108.800 0.020 0.000 2.225 196 G HA2 -0.450 3.570 3.960 -0.007 0.000 0.254 196 G HA3 -0.450 3.594 3.960 -0.042 -0.109 0.254 196 G C -0.272 174.669 174.900 0.068 0.000 0.988 196 G CA 0.117 45.219 45.100 0.003 0.000 0.625 196 G HN 0.761 8.978 8.290 0.056 0.107 0.527 197 G N 0.835 109.698 108.800 0.104 0.000 2.616 197 G HA2 0.327 4.366 3.960 0.131 0.000 0.268 197 G HA3 0.327 4.362 3.960 0.125 0.000 0.268 197 G C -2.641 172.343 174.900 0.141 0.000 1.213 197 G CA -1.983 43.193 45.100 0.127 0.000 0.926 197 G HN -0.444 7.822 8.290 0.109 0.089 0.523 198 P HA 0.349 4.981 4.420 0.134 -0.131 0.281 198 P C -1.560 175.810 177.300 0.117 0.000 1.249 198 P CA -0.923 62.270 63.100 0.155 0.000 0.810 198 P CB 1.590 33.437 31.700 0.244 0.000 1.008 199 V N 2.000 121.963 119.914 0.082 0.000 2.419 199 V HA 0.298 4.590 4.120 -0.003 -0.174 0.287 199 V C -1.326 174.780 176.094 0.021 0.000 1.017 199 V CA -0.445 61.867 62.300 0.021 0.000 0.844 199 V CB 1.907 33.724 31.823 -0.009 0.000 1.011 199 V HN -0.229 8.013 8.190 0.087 0.000 0.429 200 V N 8.027 127.942 119.914 0.002 0.000 2.417 200 V HA 0.636 4.910 4.120 -0.068 -0.195 0.291 200 V C -1.283 174.792 176.094 -0.031 0.000 1.024 200 V CA -1.231 61.042 62.300 -0.045 0.000 0.861 200 V CB 2.739 34.509 31.823 -0.088 0.000 0.985 200 V HN 0.629 8.834 8.190 0.025 0.000 0.436 201 c N 6.661 125.231 118.600 -0.050 0.000 2.482 201 c HA 0.604 5.151 4.570 -0.038 0.000 0.317 201 c C 0.613 174.672 174.090 -0.052 0.000 1.197 201 c CA -1.717 54.580 56.329 -0.053 0.000 1.432 201 c CB 2.024 44.482 42.510 -0.087 0.000 2.062 201 c HN 0.677 8.870 8.230 -0.060 0.000 0.471 202 S N 5.375 121.053 115.700 -0.037 0.000 3.549 202 S HA -0.393 4.064 4.470 -0.022 0.000 0.366 202 S C 0.124 174.704 174.600 -0.034 0.000 1.012 202 S CA 1.289 59.469 58.200 -0.032 0.000 1.141 202 S CB -0.968 62.209 63.200 -0.038 0.000 0.910 202 S HN 1.196 9.489 8.310 -0.030 0.000 0.471 203 G N -4.903 103.876 108.800 -0.035 0.000 2.155 203 G HA2 -0.369 3.564 3.960 -0.045 0.000 0.257 203 G HA3 -0.369 3.572 3.960 -0.031 0.000 0.257 203 G C -0.731 174.124 174.900 -0.076 0.000 0.983 203 G CA 0.425 45.498 45.100 -0.046 0.000 0.676 203 G HN 0.417 8.672 8.290 -0.029 0.018 0.528 210 Q N 0.950 120.775 119.800 0.041 0.000 2.378 210 Q HA 0.206 4.591 4.340 0.075 0.000 0.216 210 Q C -0.274 175.898 176.000 0.287 0.000 0.892 210 Q CA 0.058 55.913 55.803 0.087 0.000 0.931 210 Q CB 2.594 31.304 28.738 -0.046 0.000 1.086 210 Q HN 0.317 8.600 8.270 0.022 0.000 0.528 211 G N -2.900 106.072 108.800 0.286 0.000 2.695 211 G HA2 0.583 5.013 3.960 0.382 0.000 0.290 211 G HA3 0.583 4.789 3.960 0.410 0.000 0.290 211 G C -3.295 171.727 174.900 0.204 0.000 1.410 211 G CA -0.367 44.936 45.100 0.338 0.000 0.844 211 G HN -0.427 7.969 8.290 0.177 0.000 0.478 212 I N -1.366 119.318 120.570 0.190 0.000 2.533 212 I HA 0.553 5.033 4.170 0.159 -0.215 0.290 212 I C -0.500 175.731 176.117 0.190 0.000 1.056 212 I CA -1.394 60.001 61.300 0.158 0.000 1.057 212 I CB 4.369 42.426 38.000 0.095 0.000 1.240 212 I HN -0.400 7.913 8.210 0.171 0.000 0.423 213 V N 7.250 127.289 119.914 0.210 0.000 2.475 213 V HA -0.248 3.893 4.120 0.034 0.000 0.292 213 V C -1.105 175.005 176.094 0.026 0.000 1.003 213 V CA 2.209 64.579 62.300 0.115 0.000 1.120 213 V CB -1.113 30.804 31.823 0.158 0.000 0.937 213 V HN 0.443 8.749 8.190 0.194 0.000 0.476 214 S N 8.342 123.958 115.700 -0.140 0.000 3.142 214 S HA 0.366 5.029 4.470 0.322 0.000 0.223 214 S C -1.106 173.581 174.600 0.145 0.000 0.939 214 S CA 0.665 58.925 58.200 0.099 0.000 0.826 214 S CB 2.045 65.282 63.200 0.063 0.000 0.823 214 S HN -0.012 8.002 8.310 -0.495 0.000 0.612 215 W N -3.736 117.403 121.300 -0.269 0.000 2.940 215 W HA 0.315 4.864 4.660 -0.185 0.000 0.394 215 W C -2.736 173.615 176.519 -0.281 0.000 1.155 215 W CA -1.053 56.141 57.345 -0.251 0.000 1.165 215 W CB 1.711 31.010 29.460 -0.269 0.000 1.492 215 W HN -0.056 7.789 8.180 -0.559 0.000 0.593 216 G N -2.305 106.550 108.800 0.092 0.000 2.427 216 G HA2 0.240 3.982 3.960 -0.363 0.000 0.306 216 G HA3 0.240 4.156 3.960 -0.073 0.000 0.306 216 G C -2.178 172.848 174.900 0.210 0.000 1.280 216 G CA 0.157 45.225 45.100 -0.053 0.000 0.837 216 G HN -0.005 8.493 8.290 0.348 0.000 0.482 220 c N 2.022 120.658 118.600 0.060 0.000 3.421 220 c HA 0.338 5.118 4.570 0.061 -0.173 0.194 220 c C -1.493 172.627 174.090 0.050 0.000 1.418 220 c CA -0.790 55.571 56.329 0.054 0.000 1.226 220 c CB -1.099 41.434 42.510 0.037 0.000 1.875 220 c HN 0.312 8.575 8.230 0.054 0.000 0.561 221 Q N -1.373 118.460 119.800 0.056 0.000 2.939 221 Q HA 0.132 4.494 4.340 0.036 0.000 0.274 221 Q C -1.618 174.406 176.000 0.040 0.000 0.941 221 Q CA -0.466 55.363 55.803 0.043 0.000 0.824 221 Q CB 2.618 31.382 28.738 0.043 0.000 1.779 221 Q HN 0.233 8.542 8.270 0.064 0.000 0.470 222 K N 2.113 122.529 120.400 0.027 0.000 2.382 222 K HA -0.228 4.264 4.320 0.035 -0.151 0.275 222 K C 0.212 176.814 176.600 0.003 0.000 1.009 222 K CA 1.148 57.448 56.287 0.022 0.000 0.970 222 K CB 0.255 32.764 32.500 0.015 0.000 0.934 222 K HN 0.243 8.507 8.250 0.024 0.000 0.479 223 N N 2.197 120.896 118.700 -0.002 0.000 2.693 223 N HA -0.367 4.355 4.740 -0.030 0.000 0.249 223 N C -1.330 174.121 175.510 -0.098 0.000 1.119 223 N CA 1.845 54.870 53.050 -0.042 0.000 0.717 223 N CB -1.088 37.368 38.487 -0.053 0.000 1.071 223 N HN 0.724 8.996 8.380 0.017 0.119 0.555 224 K N -1.954 118.418 120.400 -0.046 0.000 2.920 224 K HA 0.522 4.710 4.320 -0.220 0.000 0.175 224 K C -2.486 174.166 176.600 0.087 0.000 1.099 224 K CA -3.604 52.661 56.287 -0.036 0.000 0.939 224 K CB 0.628 33.145 32.500 0.029 0.000 1.148 224 K HN -0.771 7.440 8.250 0.003 0.040 0.613 225 P HA -0.013 4.469 4.420 0.104 0.000 0.275 225 P C -0.695 176.653 177.300 0.081 0.000 1.266 225 P CA -0.498 62.666 63.100 0.106 0.000 0.793 225 P CB 1.218 32.969 31.700 0.085 0.000 1.074 226 G N -2.435 106.392 108.800 0.045 0.000 2.507 226 G HA2 0.360 4.158 3.960 -0.271 0.000 0.271 226 G HA3 0.360 4.287 3.960 -0.166 -0.066 0.271 226 G C -1.737 172.873 174.900 -0.484 0.000 1.189 226 G CA -0.835 44.137 45.100 -0.214 0.000 0.859 226 G HN -0.394 7.978 8.290 0.136 0.000 0.542 227 V N 0.969 120.258 119.914 -1.041 0.000 2.495 227 V HA 0.643 4.512 4.120 -0.706 -0.173 0.298 227 V C -0.984 174.320 176.094 -1.316 0.000 1.031 227 V CA -1.024 60.593 62.300 -1.138 0.000 0.871 227 V CB 2.061 32.762 31.823 -1.869 0.000 0.988 227 V HN 0.333 7.878 8.190 -1.075 0.000 0.432 228 Y N 5.218 125.107 120.300 -0.685 0.000 2.485 228 Y HA 0.574 5.040 4.550 -0.372 -0.140 0.345 228 Y C 0.287 175.899 175.900 -0.480 0.000 0.998 228 Y CA -2.303 55.418 58.100 -0.632 0.000 1.059 228 Y CB 3.627 41.482 38.460 -1.009 0.000 1.234 228 Y HN 1.039 8.926 8.280 -0.655 0.000 0.461 229 T N 4.946 119.456 114.554 -0.073 0.000 2.870 229 T HA -0.023 4.518 4.350 0.091 -0.136 0.300 229 T C -0.651 174.175 174.700 0.210 0.000 0.989 229 T CA 1.676 63.821 62.100 0.074 0.000 1.139 229 T CB 0.448 69.350 68.868 0.057 0.000 0.920 229 T HN 0.441 8.666 8.240 -0.024 0.000 0.537 230 K N 8.245 128.856 120.400 0.353 0.000 2.171 230 K HA 0.104 4.871 4.320 0.745 0.000 0.274 230 K C 1.024 177.880 176.600 0.427 0.000 1.110 230 K CA -0.554 56.030 56.287 0.495 0.000 0.952 230 K CB -0.334 32.414 32.500 0.413 0.000 1.309 230 K HN 0.209 8.547 8.250 0.321 0.105 0.414 231 V N 5.949 126.098 119.914 0.393 0.000 2.453 231 V HA -0.522 3.909 4.120 0.519 0.000 0.252 231 V C 1.381 177.638 176.094 0.271 0.000 1.068 231 V CA 3.800 66.318 62.300 0.364 0.000 1.070 231 V CB -0.319 31.646 31.823 0.238 0.000 0.664 231 V HN 0.227 8.659 8.190 0.404 0.000 0.461 232 c N -3.788 114.907 118.600 0.158 0.000 2.409 232 c HA -0.198 4.416 4.570 0.073 0.000 0.284 232 c C 1.520 175.623 174.090 0.022 0.000 1.354 232 c CA 1.469 57.840 56.329 0.070 0.000 1.787 232 c CB -2.091 40.431 42.510 0.019 0.000 1.900 232 c HN 0.460 8.761 8.230 0.161 0.026 0.520 233 N N 0.859 119.531 118.700 -0.046 0.000 2.467 233 N HA -0.058 4.584 4.740 -0.164 0.000 0.184 233 N C 0.220 175.490 175.510 -0.400 0.000 1.106 233 N CA 1.012 53.900 53.050 -0.271 0.000 0.892 233 N CB -0.015 38.177 38.487 -0.493 0.000 0.969 233 N HN -0.427 7.924 8.380 0.029 0.046 0.454 234 Y N -4.624 115.754 120.300 0.129 0.000 2.612 234 Y HA 0.174 4.879 4.550 0.258 0.000 0.250 234 Y C 0.008 176.051 175.900 0.239 0.000 1.175 234 Y CA -0.873 57.367 58.100 0.233 0.000 1.205 234 Y CB -0.185 38.449 38.460 0.290 0.000 1.201 234 Y HN -0.247 7.939 8.280 0.151 0.184 0.532 235 V N 1.423 121.473 119.914 0.227 0.000 2.343 235 V HA -0.552 3.657 4.120 0.148 0.000 0.247 235 V C 1.548 177.708 176.094 0.111 0.000 1.051 235 V CA 5.082 67.468 62.300 0.144 0.000 1.036 235 V CB -0.426 31.443 31.823 0.076 0.000 0.654 235 V HN -0.699 7.585 8.190 0.156 0.000 0.451 236 S N -0.626 115.145 115.700 0.117 0.000 2.356 236 S HA -0.348 4.144 4.470 0.037 0.000 0.223 236 S C 1.898 176.569 174.600 0.119 0.000 1.032 236 S CA 3.413 61.665 58.200 0.087 0.000 1.005 236 S CB -0.457 62.793 63.200 0.084 0.000 0.867 236 S HN 0.095 8.473 8.310 0.115 0.000 0.449 237 W N 2.010 123.349 121.300 0.064 0.000 2.358 237 W HA -0.160 4.516 4.660 0.028 0.000 0.303 237 W C 1.711 178.239 176.519 0.015 0.000 1.208 237 W CA 3.048 60.434 57.345 0.068 0.000 1.274 237 W CB -0.183 29.393 29.460 0.194 0.000 1.138 237 W HN -0.173 8.245 8.180 0.397 0.000 0.515 238 I N -0.616 119.895 120.570 -0.098 0.000 2.142 238 I HA -0.768 2.858 4.170 -0.907 0.000 0.240 238 I C 1.828 177.680 176.117 -0.442 0.000 1.078 238 I CA 4.647 65.687 61.300 -0.434 0.000 1.343 238 I CB -0.233 37.698 38.000 -0.115 0.000 1.046 238 I HN 0.397 8.765 8.210 0.263 0.000 0.405 239 K N -1.316 118.941 120.400 -0.238 0.000 2.044 239 K HA -0.509 3.661 4.320 -0.250 0.000 0.210 239 K C 2.847 179.294 176.600 -0.255 0.000 1.049 239 K CA 3.845 60.001 56.287 -0.219 0.000 0.927 239 K CB -0.332 32.102 32.500 -0.112 0.000 0.713 239 K HN -0.026 8.149 8.250 -0.125 0.000 0.443 240 Q N -2.130 117.533 119.800 -0.228 0.000 2.046 240 Q HA -0.286 3.964 4.340 -0.149 0.000 0.200 240 Q C 2.620 178.439 176.000 -0.300 0.000 0.975 240 Q CA 3.500 59.182 55.803 -0.200 0.000 0.836 240 Q CB 0.037 28.708 28.738 -0.111 0.000 0.896 240 Q HN 0.085 8.242 8.270 -0.187 0.000 0.428 241 T N 2.558 116.812 114.554 -0.500 0.000 2.737 241 T HA -0.294 3.834 4.350 -0.369 0.000 0.265 241 T C 2.451 176.793 174.700 -0.595 0.000 1.038 241 T CA 4.882 66.641 62.100 -0.569 0.000 1.144 241 T CB -0.244 68.044 68.868 -0.966 0.000 0.866 241 T HN 0.090 7.969 8.240 -0.603 0.000 0.434 242 I N -2.020 118.053 120.570 -0.828 0.000 2.394 242 I HA -0.236 3.012 4.170 -1.537 0.000 0.251 242 I C 1.393 177.258 176.117 -0.421 0.000 1.136 242 I CA 3.124 63.770 61.300 -1.090 0.000 1.425 242 I CB -0.687 36.441 38.000 -1.453 0.000 1.079 242 I HN 0.136 7.867 8.210 -0.799 0.000 0.425 243 A N -0.216 122.426 122.820 -0.296 0.000 2.066 243 A HA -0.152 4.119 4.320 -0.081 0.000 0.218 243 A C 0.739 178.282 177.584 -0.068 0.000 1.157 243 A CA 2.059 54.019 52.037 -0.129 0.000 0.670 243 A CB -0.310 18.621 19.000 -0.115 0.000 0.804 243 A HN -0.205 7.721 8.150 -0.349 0.014 0.453 244 S N -3.596 112.048 115.700 -0.092 0.000 2.557 244 S HA 0.112 4.574 4.470 -0.013 0.000 0.223 244 S C -0.822 173.793 174.600 0.024 0.000 0.969 244 S CA 0.620 58.800 58.200 -0.032 0.000 0.927 244 S CB 0.701 63.872 63.200 -0.048 0.000 0.806 244 S HN -0.473 7.588 8.310 -0.170 0.147 0.489 245 N N 0.000 118.749 118.700 0.083 0.000 1.763 245 N HA 0.000 4.830 4.740 0.149 0.000 0.220 245 N CA 0.000 53.184 53.050 0.224 0.000 0.885 245 N CB 0.000 38.684 38.487 0.329 0.000 1.341 245 N HN 0.000 8.245 8.380 0.049 0.165 0.667