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 1o30_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQR DATA SEQUENCE LXXGEDNINV VEGNEQFISA SKSIVHPSYN SNTLNNDIML IKLKSAASLN DATA SEQUENCE SRVASISLPT XScASXAGTQ cLISGWGNTK SSGTSYPDVL KcLKAPILSD DATA SEQUENCE SScKSAYPGQ ITSNMFcAYL EGKDScQGDS GGPVVcSGKX XXXLQGIVSW DATA SEQUENCE GSXGcQKNKP GVYTKVcNYV SWIKQTIASN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 16 I HA 0.000 4.186 4.170 0.027 0.000 0.288 16 I C 0.000 176.112 176.117 -0.008 0.000 1.063 16 I CA 0.000 61.298 61.300 -0.003 0.000 1.566 16 I CB 0.000 37.962 38.000 -0.063 0.000 1.214 17 V N 6.043 125.963 119.914 0.011 0.000 2.398 17 V HA 0.252 4.511 4.120 -0.010 -0.144 0.286 17 V C 0.570 176.669 176.094 0.008 0.000 1.026 17 V CA -1.504 60.798 62.300 0.004 0.000 0.868 17 V CB 1.175 33.007 31.823 0.014 0.000 0.982 17 V HN 0.828 9.037 8.190 0.032 0.000 0.443 18 G N 7.244 116.043 108.800 -0.002 0.000 2.160 18 G HA2 -0.387 3.569 3.960 -0.006 0.000 0.251 18 G HA3 -0.387 3.725 3.960 -0.019 -0.163 0.251 18 G C -0.731 174.180 174.900 0.018 0.000 1.008 18 G CA 0.452 45.549 45.100 -0.004 0.000 0.724 18 G HN 0.767 9.053 8.290 -0.007 0.000 0.514 19 G N -1.166 107.643 108.800 0.014 0.000 2.702 19 G HA2 0.520 4.521 3.960 0.098 0.000 0.254 19 G HA3 0.520 4.520 3.960 -0.083 -0.089 0.254 19 G C -1.715 173.230 174.900 0.076 0.000 1.380 19 G CA -1.068 44.043 45.100 0.018 0.000 1.042 19 G HN -0.687 7.571 8.290 -0.006 0.029 0.557 20 Y N -6.135 114.147 120.300 -0.030 0.000 2.634 20 Y HA 0.404 4.938 4.550 -0.027 0.000 0.340 20 Y C -1.768 174.107 175.900 -0.042 0.000 1.058 20 Y CA -2.990 55.092 58.100 -0.031 0.000 1.081 20 Y CB 1.061 39.506 38.460 -0.025 0.000 1.295 20 Y HN 0.416 8.271 8.280 -0.532 0.106 0.487 21 T N 2.579 117.190 114.554 0.095 0.000 2.799 21 T HA 0.077 4.489 4.350 -0.098 -0.121 0.296 21 T C -0.067 174.655 174.700 0.036 0.000 0.947 21 T CA 1.262 63.362 62.100 -0.001 0.000 1.141 21 T CB -0.217 68.677 68.868 0.043 0.000 0.891 21 T HN 0.111 8.463 8.240 0.185 0.000 0.533 22 c N 5.824 124.349 118.600 -0.126 0.000 2.413 22 c HA -0.175 4.388 4.570 -0.011 0.000 0.276 22 c C 0.357 174.468 174.090 0.035 0.000 1.236 22 c CA 1.079 57.366 56.329 -0.068 0.000 1.735 22 c CB -0.134 42.266 42.510 -0.183 0.000 2.031 22 c HN 0.136 8.237 8.230 -0.216 0.000 0.474 23 G N -2.335 106.469 108.800 0.006 0.000 2.885 23 G HA2 -0.175 3.803 3.960 0.029 0.000 0.685 23 G HA3 -0.175 3.807 3.960 0.035 0.000 0.685 23 G C -1.876 173.026 174.900 0.003 0.000 1.216 23 G CA -0.815 44.299 45.100 0.023 0.000 0.790 23 G HN -0.348 7.927 8.290 -0.025 0.000 0.631 24 A N 4.214 127.043 122.820 0.016 0.000 2.566 24 A HA -0.233 4.323 4.320 0.028 -0.219 0.245 24 A C -0.160 177.431 177.584 0.011 0.000 1.056 24 A CA 1.121 53.171 52.037 0.022 0.000 0.757 24 A CB 0.052 19.071 19.000 0.032 0.000 0.979 24 A HN 0.332 8.496 8.150 0.023 0.000 0.508 25 N N -2.479 116.225 118.700 0.007 0.000 2.714 25 N HA -0.374 4.360 4.740 -0.011 0.000 0.250 25 N C 0.273 175.767 175.510 -0.026 0.000 1.117 25 N CA 1.593 54.640 53.050 -0.006 0.000 0.719 25 N CB -0.979 37.516 38.487 0.013 0.000 1.081 25 N HN 0.547 8.938 8.380 0.018 0.000 0.557 26 T N -3.795 110.735 114.554 -0.041 0.000 3.129 26 T HA 0.045 4.391 4.350 -0.007 0.000 0.251 26 T C -0.128 174.526 174.700 -0.076 0.000 1.117 26 T CA 1.823 63.905 62.100 -0.030 0.000 1.034 26 T CB 0.462 69.327 68.868 -0.005 0.000 0.968 26 T HN -0.484 7.699 8.240 -0.047 0.029 0.526 27 V N 2.233 122.042 119.914 -0.175 0.000 2.384 27 V HA 0.373 4.262 4.120 -0.385 0.000 0.257 27 V C -1.507 174.292 176.094 -0.492 0.000 0.969 27 V CA -3.409 58.639 62.300 -0.419 0.000 0.910 27 V CB 0.510 32.057 31.823 -0.460 0.000 1.150 27 V HN -0.531 7.492 8.190 -0.149 0.078 0.481 28 P HA 0.009 4.494 4.420 -0.068 -0.106 0.225 28 P C 0.256 177.523 177.300 -0.055 0.000 1.148 28 P CA 1.743 64.788 63.100 -0.091 0.000 0.779 28 P CB 0.088 31.806 31.700 0.030 0.000 0.780 29 Y N -6.112 114.214 120.300 0.043 0.000 2.466 29 Y HA 0.475 5.203 4.550 0.058 -0.143 0.272 29 Y C -0.515 175.423 175.900 0.063 0.000 1.169 29 Y CA -3.182 54.949 58.100 0.052 0.000 1.285 29 Y CB -1.357 37.129 38.460 0.044 0.000 1.078 29 Y HN -0.423 7.336 8.280 -0.785 0.050 0.523 30 Q N 2.744 122.394 119.800 -0.250 0.000 2.304 30 Q HA 0.234 4.740 4.340 0.049 -0.137 0.260 30 Q C -0.296 175.780 176.000 0.126 0.000 0.965 30 Q CA 0.077 55.844 55.803 -0.060 0.000 0.898 30 Q CB 1.119 29.716 28.738 -0.235 0.000 1.196 30 Q HN -0.579 7.213 8.270 -0.522 0.165 0.402 31 V N 1.426 121.454 119.914 0.189 0.000 3.074 31 V HA 0.822 5.174 4.120 0.189 -0.118 0.314 31 V C -2.039 174.199 176.094 0.240 0.000 1.117 31 V CA -2.898 59.512 62.300 0.183 0.000 1.014 31 V CB 3.939 35.819 31.823 0.095 0.000 1.057 31 V HN 0.378 8.674 8.190 0.178 0.000 0.438 32 S N 0.660 116.403 115.700 0.073 0.000 2.473 32 S HA 0.439 5.122 4.470 0.172 -0.109 0.307 32 S C -1.068 173.392 174.600 -0.234 0.000 1.094 32 S CA -1.990 56.186 58.200 -0.040 0.000 1.070 32 S CB 1.810 64.787 63.200 -0.371 0.000 1.019 32 S HN 0.200 8.515 8.310 0.007 0.000 0.480 33 L N 7.068 128.010 121.223 -0.469 0.000 2.275 33 L HA 0.553 4.782 4.340 -0.397 -0.128 0.288 33 L C -1.536 174.841 176.870 -0.821 0.000 1.046 33 L CA -0.842 53.597 54.840 -0.668 0.000 0.805 33 L CB 0.822 42.281 42.059 -1.000 0.000 1.193 33 L HN 0.678 8.579 8.230 -0.548 0.000 0.426 38 G N 0.973 109.639 108.800 -0.223 0.000 2.195 38 G HA2 -0.345 3.584 3.960 -0.051 0.000 0.224 38 G HA3 -0.345 3.648 3.960 0.055 0.000 0.224 38 G C -1.818 173.133 174.900 0.086 0.000 0.990 38 G CA 0.247 45.326 45.100 -0.035 0.000 0.639 38 G HN 0.335 8.773 8.290 -0.237 -0.291 0.514 39 Y N -6.986 113.286 120.300 -0.048 0.000 2.702 39 Y HA 0.220 4.728 4.550 -0.071 0.000 0.336 39 Y C -2.478 173.413 175.900 -0.014 0.000 1.203 39 Y CA -3.505 54.567 58.100 -0.046 0.000 1.072 39 Y CB 0.751 39.182 38.460 -0.048 0.000 1.327 39 Y HN -1.184 6.812 8.280 -0.494 -0.012 0.456 40 H N 2.180 121.215 119.070 -0.058 0.000 2.767 40 H HA -0.038 4.480 4.556 -0.321 -0.154 0.316 40 H C -0.737 174.603 175.328 0.020 0.000 1.059 40 H CA 0.322 56.264 56.048 -0.177 0.000 1.461 40 H CB 0.378 30.004 29.762 -0.227 0.000 1.475 40 H HN 0.228 8.611 8.280 0.170 0.000 0.531 41 F N 1.402 120.941 119.950 -0.685 0.000 2.778 41 F HA 0.281 4.742 4.527 -0.110 0.000 0.314 41 F C -2.045 173.511 175.800 -0.407 0.000 1.073 41 F CA -0.524 57.266 58.000 -0.351 0.000 1.218 41 F CB 1.634 40.514 39.000 -0.200 0.000 1.037 41 F HN -0.162 7.458 8.300 -1.132 0.000 0.594 42 c N -1.612 116.312 118.600 -1.126 0.000 3.318 42 c HA 0.380 4.832 4.570 -0.197 0.000 0.322 42 c C -1.611 172.253 174.090 -0.376 0.000 1.398 42 c CA -0.303 55.710 56.329 -0.526 0.000 1.339 42 c CB 4.125 46.398 42.510 -0.395 0.000 1.668 42 c HN -0.814 6.417 8.230 -1.665 0.000 0.462 43 G N -0.961 107.823 108.800 -0.026 0.000 2.601 43 G HA2 0.817 5.070 3.960 0.244 0.000 0.317 43 G HA3 0.817 4.910 3.960 0.222 0.000 0.317 43 G C -2.553 172.370 174.900 0.039 0.000 1.246 43 G CA -1.664 43.521 45.100 0.143 0.000 1.012 43 G HN 0.889 9.069 8.290 -0.007 0.106 0.494 44 G N -4.036 104.820 108.800 0.094 0.000 2.506 44 G HA2 0.524 4.815 3.960 0.073 0.000 0.292 44 G HA3 0.524 4.514 3.960 0.051 0.000 0.292 44 G C -2.947 172.035 174.900 0.138 0.000 1.425 44 G CA 0.308 45.457 45.100 0.082 0.000 0.788 44 G HN -0.580 7.800 8.290 0.150 0.000 0.490 45 S N -0.396 115.393 115.700 0.148 0.000 2.532 45 S HA 0.812 5.643 4.470 0.267 -0.202 0.299 45 S C -1.289 173.416 174.600 0.175 0.000 1.105 45 S CA -0.927 57.396 58.200 0.204 0.000 1.018 45 S CB 3.655 66.967 63.200 0.186 0.000 1.021 45 S HN 0.394 8.779 8.310 0.124 0.000 0.483 46 L N 6.341 127.683 121.223 0.198 0.000 2.313 46 L HA 0.195 4.747 4.340 0.150 -0.122 0.282 46 L C -0.696 176.262 176.870 0.145 0.000 1.092 46 L CA -0.167 54.771 54.840 0.163 0.000 0.831 46 L CB 1.028 43.182 42.059 0.158 0.000 1.159 46 L HN 0.407 8.791 8.230 0.257 0.000 0.442 47 I N 0.425 121.077 120.570 0.138 0.000 4.070 47 I HA 0.490 4.858 4.170 0.069 -0.157 0.328 47 I C -0.947 175.228 176.117 0.097 0.000 1.298 47 I CA -0.563 60.795 61.300 0.097 0.000 1.173 47 I CB 0.732 38.780 38.000 0.080 0.000 1.051 47 I HN 0.366 8.676 8.210 0.166 0.000 0.409 48 N N -2.437 116.343 118.700 0.134 0.000 3.179 48 N HA 0.161 4.957 4.740 0.094 0.000 0.250 48 N C -0.717 174.872 175.510 0.132 0.000 1.507 48 N CA -0.605 52.520 53.050 0.126 0.000 0.883 48 N CB 0.802 39.375 38.487 0.143 0.000 1.435 48 N HN -0.935 7.540 8.380 0.159 0.000 0.532 49 S N -3.778 111.987 115.700 0.108 0.000 2.547 49 S HA -0.280 4.234 4.470 0.073 0.000 0.235 49 S C 0.697 175.332 174.600 0.058 0.000 0.980 49 S CA 2.515 60.762 58.200 0.078 0.000 0.941 49 S CB -0.188 63.046 63.200 0.057 0.000 0.763 49 S HN 0.377 8.747 8.310 0.100 0.000 0.532 50 Q N -0.412 119.439 119.800 0.085 0.000 2.140 50 Q HA 0.352 4.639 4.340 -0.089 0.000 0.227 50 Q C -2.168 173.717 176.000 -0.192 0.000 0.798 50 Q CA -0.259 55.502 55.803 -0.070 0.000 0.987 50 Q CB 2.998 31.666 28.738 -0.117 0.000 1.161 50 Q HN 0.238 8.936 8.270 0.179 -0.320 0.480 51 W N -1.934 119.375 121.300 0.015 0.000 2.819 51 W HA 0.722 5.587 4.660 0.012 -0.198 0.337 51 W C -1.436 175.099 176.519 0.028 0.000 1.077 51 W CA -1.097 56.256 57.345 0.014 0.000 1.226 51 W CB 3.786 33.246 29.460 0.000 0.000 1.419 51 W HN -0.179 8.325 8.180 0.274 -0.160 0.502 52 V N 1.129 121.207 119.914 0.274 0.000 2.823 52 V HA 0.812 5.225 4.120 0.175 -0.188 0.312 52 V C -1.440 174.772 176.094 0.198 0.000 1.072 52 V CA -1.731 60.680 62.300 0.184 0.000 0.937 52 V CB 3.756 35.643 31.823 0.107 0.000 1.013 52 V HN 0.809 9.175 8.190 0.293 0.000 0.430 53 V N 5.790 125.797 119.914 0.155 0.000 2.513 53 V HA 0.804 5.196 4.120 0.165 -0.173 0.299 53 V C -1.241 174.912 176.094 0.099 0.000 1.035 53 V CA -1.344 61.039 62.300 0.140 0.000 0.889 53 V CB 2.189 34.088 31.823 0.126 0.000 0.988 53 V HN 0.620 8.896 8.190 0.143 0.000 0.440 54 S N 4.017 119.761 115.700 0.074 0.000 2.973 54 S HA 0.558 5.263 4.470 0.032 -0.216 0.317 54 S C -2.057 172.533 174.600 -0.017 0.000 1.196 54 S CA -2.461 55.753 58.200 0.023 0.000 0.894 54 S CB 2.392 65.594 63.200 0.003 0.000 1.292 54 S HN 0.766 9.130 8.310 0.090 0.000 0.614 55 A N -0.636 122.134 122.820 -0.084 0.000 2.312 55 A HA 0.464 4.872 4.320 -0.114 -0.156 0.328 55 A C 0.637 178.094 177.584 -0.211 0.000 1.158 55 A CA -1.681 50.263 52.037 -0.155 0.000 0.821 55 A CB 1.718 20.572 19.000 -0.244 0.000 1.170 55 A HN 0.225 8.316 8.150 -0.098 0.000 0.490 56 A N 4.562 127.203 122.820 -0.297 0.000 1.940 56 A HA -0.269 3.883 4.320 -0.280 0.000 0.219 56 A C 1.408 178.746 177.584 -0.410 0.000 1.176 56 A CA 3.001 54.738 52.037 -0.500 0.000 0.631 56 A CB -0.430 17.849 19.000 -1.203 0.000 0.814 56 A HN 0.585 8.575 8.150 -0.272 -0.004 0.446 57 H N -4.805 114.095 119.070 -0.285 0.000 2.563 57 H HA -0.080 4.498 4.556 0.036 0.000 0.272 57 H C 0.188 175.563 175.328 0.078 0.000 1.005 57 H CA 1.484 57.529 56.048 -0.005 0.000 1.171 57 H CB -1.098 28.738 29.762 0.123 0.000 1.351 57 H HN 0.076 8.536 8.280 -0.220 -0.313 0.602 58 c N -1.682 116.831 118.600 -0.146 0.000 2.697 58 c HA 0.026 4.666 4.570 0.117 0.000 0.267 58 c C 0.305 174.481 174.090 0.143 0.000 1.278 58 c CA 0.028 56.373 56.329 0.027 0.000 1.708 58 c CB -1.539 40.948 42.510 -0.039 0.000 1.860 58 c HN -0.290 7.612 8.230 -0.229 0.191 0.589 59 Y N 3.042 123.343 120.300 0.002 0.000 2.610 59 Y HA -0.246 4.328 4.550 0.039 0.000 0.332 59 Y C -1.158 174.730 175.900 -0.020 0.000 1.201 59 Y CA 2.029 60.135 58.100 0.009 0.000 1.465 59 Y CB 0.751 39.199 38.460 -0.019 0.000 1.283 59 Y HN -0.496 7.697 8.280 0.155 0.180 0.563 60 K N 6.196 125.859 120.400 -1.228 0.000 2.658 60 K HA 0.214 4.084 4.320 -0.751 0.000 0.293 60 K C -2.307 173.765 176.600 -0.879 0.000 1.026 60 K CA -1.026 54.724 56.287 -0.895 0.000 0.871 60 K CB 2.533 34.684 32.500 -0.581 0.000 1.524 60 K HN -0.154 7.324 8.250 -1.287 0.000 0.400 61 S N -0.618 114.796 115.700 -0.476 0.000 2.713 61 S HA 0.142 4.446 4.470 -0.277 0.000 0.283 61 S C 0.686 175.157 174.600 -0.214 0.000 1.161 61 S CA -0.430 57.608 58.200 -0.270 0.000 0.999 61 S CB 1.364 64.494 63.200 -0.115 0.000 1.039 61 S HN -0.181 7.916 8.310 -0.356 0.000 0.548 62 G N -0.008 108.707 108.800 -0.140 0.000 2.256 62 G HA2 -0.244 3.663 3.960 -0.087 0.000 0.272 62 G HA3 -0.244 3.642 3.960 -0.123 0.000 0.272 62 G C -1.603 173.226 174.900 -0.117 0.000 1.076 62 G CA 0.170 45.200 45.100 -0.117 0.000 0.882 62 G HN 0.308 8.532 8.290 -0.110 0.000 0.497 63 I N -1.240 119.275 120.570 -0.092 0.000 2.353 63 I HA 0.105 4.397 4.170 0.008 -0.117 0.293 63 I C -1.666 174.412 176.117 -0.065 0.000 0.992 63 I CA -0.874 60.405 61.300 -0.036 0.000 1.268 63 I CB 0.930 38.932 38.000 0.003 0.000 1.387 63 I HN -0.491 7.661 8.210 -0.096 0.000 0.478 64 Q N 6.916 126.660 119.800 -0.092 0.000 3.184 64 Q HA 0.448 4.737 4.340 -0.086 0.000 0.236 64 Q C -1.642 174.267 176.000 -0.152 0.000 1.038 64 Q CA -1.863 53.868 55.803 -0.121 0.000 0.857 64 Q CB 4.192 32.826 28.738 -0.173 0.000 1.957 64 Q HN 0.524 8.741 8.270 -0.088 0.000 0.453 65 R N -2.607 117.828 120.500 -0.107 0.000 3.008 65 R HA 0.375 4.958 4.340 0.133 -0.164 0.284 65 R C -1.375 174.959 176.300 0.056 0.000 1.187 65 R CA 0.031 56.112 56.100 -0.032 0.000 1.139 65 R CB 2.296 32.432 30.300 -0.274 0.000 1.273 65 R HN 0.530 8.714 8.270 -0.144 0.000 0.410 70 E N -0.390 119.909 120.200 0.166 0.000 2.283 70 E HA 0.126 4.559 4.350 0.138 0.000 0.271 70 E C -1.806 174.981 176.600 0.312 0.000 1.031 70 E CA 0.267 56.782 56.400 0.193 0.000 0.868 70 E CB 1.522 31.273 29.700 0.086 0.000 1.094 70 E HN -0.622 7.818 8.360 0.187 0.033 0.401 71 D N 1.356 121.914 120.400 0.263 0.000 3.000 71 D HA 0.061 4.910 4.640 0.349 0.000 0.190 71 D C -1.033 175.463 176.300 0.327 0.000 1.503 71 D CA 0.924 55.092 54.000 0.280 0.000 1.496 71 D CB 2.448 43.331 40.800 0.137 0.000 1.163 71 D HN 0.096 8.571 8.370 0.175 0.000 0.231 72 N N 1.164 119.967 118.700 0.171 0.000 2.405 72 N HA 0.133 5.098 4.740 0.172 -0.122 0.260 72 N C 2.159 177.676 175.510 0.012 0.000 1.152 72 N CA -0.412 52.709 53.050 0.118 0.000 0.948 72 N CB 0.349 38.880 38.487 0.074 0.000 1.111 72 N HN -0.390 8.364 8.380 0.128 -0.297 0.485 73 I N 0.854 121.342 120.570 -0.136 0.000 3.334 73 I HA -0.115 3.894 4.170 -0.269 0.000 0.282 73 I C -0.627 175.404 176.117 -0.143 0.000 1.313 73 I CA 1.311 62.432 61.300 -0.298 0.000 1.396 73 I CB -0.915 36.663 38.000 -0.703 0.000 1.054 73 I HN 0.428 8.567 8.210 -0.119 0.000 0.495 74 N N -2.284 116.381 118.700 -0.059 0.000 2.205 74 N HA 0.144 4.867 4.740 -0.029 0.000 0.201 74 N C -0.906 174.612 175.510 0.012 0.000 1.128 74 N CA 0.005 53.044 53.050 -0.019 0.000 0.867 74 N CB 2.207 40.692 38.487 -0.002 0.000 0.996 74 N HN -0.037 8.609 8.380 -0.036 -0.288 0.503 75 V N 0.388 120.315 119.914 0.022 0.000 2.656 75 V HA 0.051 4.190 4.120 0.031 0.000 0.307 75 V C -1.400 174.719 176.094 0.042 0.000 1.051 75 V CA -1.085 61.234 62.300 0.032 0.000 0.893 75 V CB 3.192 35.033 31.823 0.030 0.000 0.999 75 V HN -0.826 7.413 8.190 0.014 -0.040 0.426 76 V N 7.455 127.392 119.914 0.037 0.000 2.389 76 V HA -0.150 4.216 4.120 0.036 -0.224 0.264 76 V C 0.122 176.218 176.094 0.003 0.000 1.049 76 V CA 0.552 62.862 62.300 0.018 0.000 0.932 76 V CB -0.198 31.617 31.823 -0.013 0.000 1.011 76 V HN 0.298 8.507 8.190 0.031 0.000 0.475 77 E N 7.987 128.192 120.200 0.008 0.000 2.460 77 E HA 0.123 4.477 4.350 0.006 0.000 0.200 77 E C -0.175 176.422 176.600 -0.005 0.000 1.011 77 E CA -0.325 56.079 56.400 0.008 0.000 0.912 77 E CB 0.721 30.436 29.700 0.024 0.000 0.953 77 E HN 0.402 9.204 8.360 0.016 -0.433 0.494 78 G N -0.034 108.753 108.800 -0.021 0.000 2.576 78 G HA2 -0.219 3.707 3.960 -0.056 0.000 0.686 78 G HA3 -0.219 3.727 3.960 -0.023 0.000 0.686 78 G C -1.747 173.140 174.900 -0.022 0.000 1.242 78 G CA -0.730 44.351 45.100 -0.033 0.000 0.819 78 G HN -0.461 8.218 8.290 -0.026 -0.404 0.655 79 N N -4.012 114.669 118.700 -0.032 0.000 2.994 79 N HA -0.278 4.451 4.740 -0.019 0.000 0.221 79 N C -1.059 174.440 175.510 -0.019 0.000 0.900 79 N CA 1.263 54.304 53.050 -0.016 0.000 1.008 79 N CB -0.240 38.252 38.487 0.009 0.000 1.053 79 N HN 0.155 8.507 8.380 -0.047 0.000 0.580 80 E N -1.058 119.109 120.200 -0.055 0.000 2.366 80 E HA 0.198 4.809 4.350 0.037 -0.238 0.266 80 E C -0.111 176.405 176.600 -0.141 0.000 1.051 80 E CA 0.481 56.843 56.400 -0.062 0.000 0.884 80 E CB 0.552 30.160 29.700 -0.154 0.000 1.006 80 E HN -0.221 8.001 8.360 -0.075 0.093 0.417 81 Q N 1.621 121.408 119.800 -0.022 0.000 2.274 81 Q HA 0.268 4.535 4.340 -0.121 0.000 0.268 81 Q C -1.524 174.607 176.000 0.218 0.000 1.015 81 Q CA -1.147 54.650 55.803 -0.010 0.000 0.775 81 Q CB 2.971 31.724 28.738 0.024 0.000 1.256 81 Q HN 0.190 8.524 8.270 0.107 0.000 0.442 82 F N 3.663 123.593 119.950 -0.034 0.000 2.388 82 F HA 0.419 5.091 4.527 -0.051 -0.175 0.358 82 F C -0.167 175.608 175.800 -0.042 0.000 1.122 82 F CA -3.014 54.959 58.000 -0.044 0.000 1.056 82 F CB 0.771 39.743 39.000 -0.047 0.000 1.155 82 F HN 0.388 8.689 8.300 0.002 0.000 0.461 83 I N 4.406 125.051 120.570 0.124 0.000 2.498 83 I HA 0.244 4.441 4.170 0.045 0.000 0.290 83 I C -1.130 174.986 176.117 -0.002 0.000 1.032 83 I CA -1.385 59.941 61.300 0.043 0.000 1.073 83 I CB 3.868 41.878 38.000 0.017 0.000 1.251 83 I HN 0.806 9.077 8.210 0.102 0.000 0.426 84 S N 5.743 121.434 115.700 -0.015 0.000 2.593 84 S HA 0.046 4.489 4.470 -0.045 0.000 0.269 84 S C -0.537 174.028 174.600 -0.057 0.000 1.334 84 S CA 0.873 59.050 58.200 -0.038 0.000 1.015 84 S CB 0.928 64.106 63.200 -0.035 0.000 0.912 84 S HN 0.442 8.749 8.310 -0.006 0.000 0.541 85 A N 2.020 124.803 122.820 -0.062 0.000 2.331 85 A HA 0.180 4.535 4.320 -0.098 -0.093 0.283 85 A C -0.628 176.910 177.584 -0.078 0.000 1.142 85 A CA -0.462 51.529 52.037 -0.076 0.000 0.812 85 A CB 0.806 19.773 19.000 -0.055 0.000 1.074 85 A HN -0.260 7.855 8.150 -0.058 0.000 0.497 86 S N 3.183 118.816 115.700 -0.112 0.000 2.427 86 S HA 0.056 4.486 4.470 -0.068 0.000 0.224 86 S C 0.489 175.050 174.600 -0.066 0.000 1.047 86 S CA 1.238 59.382 58.200 -0.094 0.000 0.953 86 S CB 0.968 64.089 63.200 -0.132 0.000 0.824 86 S HN 0.844 8.944 8.310 -0.160 0.114 0.502 87 K N 0.039 120.391 120.400 -0.081 0.000 2.551 87 K HA 0.290 4.629 4.320 0.032 0.000 0.269 87 K C -2.322 174.304 176.600 0.043 0.000 0.949 87 K CA -0.747 55.539 56.287 -0.002 0.000 0.849 87 K CB 3.514 36.019 32.500 0.008 0.000 1.411 87 K HN -0.745 7.418 8.250 -0.145 0.000 0.432 88 S N 1.116 116.900 115.700 0.140 0.000 2.500 88 S HA 0.727 5.471 4.470 0.178 -0.167 0.301 88 S C -0.874 173.849 174.600 0.205 0.000 1.092 88 S CA -0.468 57.858 58.200 0.211 0.000 1.030 88 S CB 2.705 66.110 63.200 0.343 0.000 1.031 88 S HN 0.171 8.578 8.310 0.161 0.000 0.483 89 I N 7.168 127.871 120.570 0.220 0.000 2.437 89 I HA 0.119 4.373 4.170 0.140 0.000 0.279 89 I C -1.578 174.676 176.117 0.227 0.000 1.028 89 I CA -0.820 60.602 61.300 0.204 0.000 1.142 89 I CB 1.549 39.688 38.000 0.232 0.000 1.266 89 I HN 1.092 9.344 8.210 0.251 0.109 0.461 90 V N 7.964 127.940 119.914 0.104 0.000 2.583 90 V HA -0.158 3.997 4.120 0.057 0.000 0.287 90 V C -0.277 175.893 176.094 0.126 0.000 1.051 90 V CA -0.459 61.870 62.300 0.048 0.000 1.010 90 V CB 0.808 32.560 31.823 -0.117 0.000 0.988 90 V HN 0.379 8.582 8.190 0.022 0.000 0.478 91 H N 9.177 128.220 119.070 -0.044 0.000 3.094 91 H HA -0.062 4.346 4.556 -0.246 0.000 0.320 91 H C -0.474 174.828 175.328 -0.044 0.000 1.000 91 H CA 0.565 56.472 56.048 -0.236 0.000 1.413 91 H CB 1.474 30.913 29.762 -0.538 0.000 1.405 91 H HN -0.180 8.134 8.280 0.056 0.000 0.586 92 P HA -0.110 4.331 4.420 0.034 0.000 0.219 92 P C -0.441 176.926 177.300 0.111 0.000 1.146 92 P CA 1.507 64.600 63.100 -0.012 0.000 0.808 92 P CB 0.332 31.998 31.700 -0.056 0.000 0.779 93 S N -3.672 112.212 115.700 0.306 0.000 2.583 93 S HA 0.035 4.570 4.470 0.107 0.000 0.239 93 S C -0.574 174.115 174.600 0.150 0.000 0.966 93 S CA 0.023 58.349 58.200 0.210 0.000 0.973 93 S CB 0.404 63.720 63.200 0.192 0.000 0.794 93 S HN -0.335 8.303 8.310 0.604 0.035 0.463 94 Y N 3.744 124.085 120.300 0.068 0.000 2.526 94 Y HA -0.292 4.407 4.550 -0.064 -0.187 0.330 94 Y C -0.905 174.983 175.900 -0.020 0.000 1.156 94 Y CA 0.771 58.863 58.100 -0.013 0.000 1.419 94 Y CB 0.811 39.270 38.460 -0.001 0.000 1.250 94 Y HN -0.713 7.600 8.280 0.341 0.172 0.540 95 N N 7.456 125.776 118.700 -0.633 0.000 2.479 95 N HA 0.213 4.670 4.740 -0.470 0.000 0.261 95 N C -0.238 174.755 175.510 -0.862 0.000 0.979 95 N CA -1.263 51.443 53.050 -0.573 0.000 0.930 95 N CB 1.578 39.891 38.487 -0.289 0.000 1.172 95 N HN -0.164 7.958 8.380 -0.430 0.000 0.499 96 S N 6.481 121.675 115.700 -0.844 0.000 2.507 96 S HA -0.107 3.981 4.470 -0.636 0.000 0.235 96 S C 0.707 175.124 174.600 -0.304 0.000 0.988 96 S CA 2.202 60.072 58.200 -0.550 0.000 0.944 96 S CB -0.147 62.911 63.200 -0.238 0.000 0.762 96 S HN 0.628 8.540 8.310 -0.662 0.000 0.526 97 N N 2.016 120.543 118.700 -0.289 0.000 2.336 97 N HA 0.026 4.642 4.740 -0.205 0.000 0.177 97 N C 1.110 176.456 175.510 -0.273 0.000 1.018 97 N CA 2.317 55.230 53.050 -0.229 0.000 0.878 97 N CB 0.621 39.002 38.487 -0.176 0.000 0.997 97 N HN 0.289 8.679 8.380 -0.317 -0.200 0.433 98 T N -4.035 110.352 114.554 -0.278 0.000 3.022 98 T HA 0.070 4.211 4.350 -0.347 0.000 0.250 98 T C 0.218 174.714 174.700 -0.338 0.000 1.060 98 T CA 0.385 62.308 62.100 -0.296 0.000 1.013 98 T CB 1.587 70.339 68.868 -0.192 0.000 0.982 98 T HN -0.157 8.263 8.240 -0.273 -0.344 0.508 99 L N -3.522 117.537 121.223 -0.275 0.000 4.291 99 L HA -0.509 3.925 4.340 0.018 -0.082 0.413 99 L C -1.843 175.046 176.870 0.032 0.000 1.162 99 L CA 0.438 55.220 54.840 -0.097 0.000 0.961 99 L CB -2.625 39.307 42.059 -0.211 0.000 2.095 99 L HN -0.126 7.872 8.230 -0.306 0.049 0.838 100 N N -0.903 117.773 118.700 -0.041 0.000 2.513 100 N HA -0.146 4.636 4.740 0.071 0.000 0.268 100 N C -0.060 175.483 175.510 0.055 0.000 1.180 100 N CA 0.711 53.773 53.050 0.020 0.000 0.948 100 N CB 1.128 39.602 38.487 -0.023 0.000 1.083 100 N HN -0.702 7.553 8.380 -0.134 0.044 0.455 101 N N -0.820 117.911 118.700 0.051 0.000 2.780 101 N HA -0.462 4.194 4.740 -0.140 0.000 0.247 101 N C -1.314 174.163 175.510 -0.054 0.000 1.076 101 N CA 1.368 54.349 53.050 -0.115 0.000 0.688 101 N CB -1.551 36.740 38.487 -0.326 0.000 0.957 101 N HN 0.639 9.075 8.380 0.095 0.000 0.551 102 D N -0.935 119.480 120.400 0.026 0.000 2.608 102 D HA 0.073 4.699 4.640 -0.023 0.000 0.224 102 D C -1.751 174.455 176.300 -0.157 0.000 1.123 102 D CA -0.410 53.600 54.000 0.017 0.000 1.030 102 D CB -0.754 40.155 40.800 0.182 0.000 1.093 102 D HN -0.113 8.289 8.370 0.052 0.000 0.497 103 I N 2.038 122.448 120.570 -0.267 0.000 2.802 103 I HA 0.606 4.864 4.170 -0.144 -0.174 0.298 103 I C -3.002 173.058 176.117 -0.096 0.000 1.176 103 I CA -1.554 59.612 61.300 -0.223 0.000 1.025 103 I CB 4.190 41.923 38.000 -0.445 0.000 1.243 103 I HN -0.050 7.942 8.210 -0.281 0.050 0.424 104 M N 6.584 126.201 119.600 0.029 0.000 2.421 104 M HA 0.688 5.464 4.480 0.218 -0.166 0.287 104 M C -2.765 173.663 176.300 0.214 0.000 1.183 104 M CA -1.044 54.340 55.300 0.140 0.000 0.916 104 M CB 4.856 37.496 32.600 0.067 0.000 1.701 104 M HN 0.507 8.811 8.290 0.024 0.000 0.470 105 L N 3.329 124.725 121.223 0.288 0.000 2.329 105 L HA 0.856 5.539 4.340 0.279 -0.175 0.279 105 L C -1.308 175.762 176.870 0.333 0.000 1.014 105 L CA -1.433 53.596 54.840 0.317 0.000 0.814 105 L CB 3.025 45.255 42.059 0.285 0.000 1.257 105 L HN 0.448 8.873 8.230 0.324 0.000 0.424 106 I N 1.219 121.967 120.570 0.296 0.000 2.465 106 I HA 0.582 4.989 4.170 0.108 -0.172 0.291 106 I C -1.596 174.474 176.117 -0.078 0.000 1.014 106 I CA -1.405 59.965 61.300 0.116 0.000 1.093 106 I CB 3.074 41.110 38.000 0.059 0.000 1.267 106 I HN 1.007 9.411 8.210 0.324 0.000 0.431 107 K N 6.655 126.812 120.400 -0.405 0.000 2.185 107 K HA 0.647 4.299 4.320 -1.369 -0.154 0.269 107 K C -1.065 175.243 176.600 -0.486 0.000 0.987 107 K CA -1.777 53.916 56.287 -0.989 0.000 0.865 107 K CB 2.925 34.685 32.500 -1.233 0.000 1.090 107 K HN 0.716 8.818 8.250 -0.248 0.000 0.450 108 L N 4.556 125.525 121.223 -0.425 0.000 2.418 108 L HA 0.217 4.567 4.340 -0.169 -0.111 0.265 108 L C 1.773 178.524 176.870 -0.199 0.000 1.143 108 L CA -0.002 54.705 54.840 -0.221 0.000 0.809 108 L CB 0.474 42.446 42.059 -0.145 0.000 1.124 108 L HN 0.906 8.701 8.230 -0.545 0.107 0.456 109 K N 2.000 122.325 120.400 -0.125 0.000 2.057 109 K HA -0.280 3.975 4.320 -0.107 0.000 0.206 109 K C -0.305 176.247 176.600 -0.081 0.000 1.050 109 K CA 2.660 58.891 56.287 -0.095 0.000 0.935 109 K CB 0.538 33.001 32.500 -0.062 0.000 0.715 109 K HN 0.366 8.555 8.250 -0.102 0.000 0.439 110 S N -4.357 111.303 115.700 -0.067 0.000 2.599 110 S HA 0.175 4.615 4.470 -0.050 0.000 0.287 110 S C -1.557 173.015 174.600 -0.048 0.000 1.105 110 S CA -1.332 56.839 58.200 -0.049 0.000 0.899 110 S CB 2.973 66.156 63.200 -0.029 0.000 1.100 110 S HN -0.541 7.731 8.310 -0.063 0.000 0.482 111 A N -0.119 122.681 122.820 -0.033 0.000 2.351 111 A HA 0.158 4.595 4.320 -0.030 -0.135 0.257 111 A C -0.400 177.181 177.584 -0.004 0.000 1.087 111 A CA -0.487 51.539 52.037 -0.018 0.000 0.798 111 A CB 0.598 19.597 19.000 -0.002 0.000 1.033 111 A HN 0.191 8.325 8.150 -0.027 0.000 0.488 112 A N -0.016 122.809 122.820 0.008 0.000 2.302 112 A HA 0.282 4.679 4.320 0.012 -0.071 0.285 112 A C -0.623 176.973 177.584 0.020 0.000 1.105 112 A CA -1.539 50.509 52.037 0.017 0.000 0.816 112 A CB 1.682 20.701 19.000 0.032 0.000 1.067 112 A HN 0.404 8.450 8.150 0.013 0.112 0.489 113 S N 0.855 116.565 115.700 0.017 0.000 2.439 113 S HA 0.070 4.550 4.470 0.016 0.000 0.282 113 S C -0.525 174.090 174.600 0.024 0.000 1.170 113 S CA -0.334 57.875 58.200 0.016 0.000 1.054 113 S CB 0.471 63.675 63.200 0.007 0.000 0.956 113 S HN -0.063 8.548 8.310 0.013 -0.294 0.490 114 L N 6.040 127.281 121.223 0.029 0.000 2.375 114 L HA 0.210 4.696 4.340 0.042 -0.121 0.271 114 L C -0.449 176.439 176.870 0.031 0.000 1.107 114 L CA -0.281 54.581 54.840 0.037 0.000 0.806 114 L CB 0.622 42.708 42.059 0.044 0.000 1.146 114 L HN 0.205 8.452 8.230 0.028 0.000 0.447 115 N N 3.274 121.994 118.700 0.034 0.000 3.588 115 N HA 0.184 4.939 4.740 0.026 0.000 0.340 115 N C -1.301 174.229 175.510 0.034 0.000 1.609 115 N CA -0.594 52.472 53.050 0.028 0.000 0.811 115 N CB 1.083 39.582 38.487 0.021 0.000 2.184 115 N HN 0.621 8.913 8.380 0.040 0.112 0.577 116 S N -1.761 113.957 115.700 0.029 0.000 2.406 116 S HA -0.163 4.329 4.470 0.038 0.000 0.228 116 S C 0.553 175.173 174.600 0.033 0.000 1.020 116 S CA 2.304 60.523 58.200 0.032 0.000 0.965 116 S CB 0.286 63.501 63.200 0.025 0.000 0.798 116 S HN 0.068 8.392 8.310 0.023 0.000 0.488 117 R N -0.277 120.240 120.500 0.028 0.000 2.200 117 R HA -0.019 4.334 4.340 0.021 0.000 0.208 117 R C -1.252 175.068 176.300 0.033 0.000 1.033 117 R CA 0.576 56.692 56.100 0.026 0.000 1.000 117 R CB 0.772 31.085 30.300 0.022 0.000 0.906 117 R HN -0.067 8.413 8.270 0.025 -0.195 0.462 118 V N -1.921 118.018 119.914 0.042 0.000 2.447 118 V HA 0.242 4.579 4.120 0.057 -0.183 0.292 118 V C -2.181 173.954 176.094 0.069 0.000 1.021 118 V CA -1.021 61.312 62.300 0.055 0.000 0.850 118 V CB 2.608 34.461 31.823 0.050 0.000 1.005 118 V HN -0.224 8.214 8.190 0.039 -0.225 0.426 119 A N 6.544 129.422 122.820 0.097 0.000 2.587 119 A HA 0.599 4.972 4.320 0.088 0.000 0.293 119 A C -3.055 174.622 177.584 0.154 0.000 1.087 119 A CA -1.360 50.744 52.037 0.112 0.000 0.692 119 A CB 2.856 21.923 19.000 0.112 0.000 1.291 119 A HN -0.020 8.080 8.150 0.107 0.114 0.407 120 S N -1.657 114.117 115.700 0.123 0.000 2.693 120 S HA 0.638 5.343 4.470 0.163 -0.137 0.276 120 S C -0.841 173.805 174.600 0.077 0.000 1.192 120 S CA -1.130 57.143 58.200 0.121 0.000 0.994 120 S CB 1.678 64.930 63.200 0.088 0.000 1.012 120 S HN -0.028 8.339 8.310 0.095 0.000 0.550 121 I N 0.555 121.128 120.570 0.005 0.000 2.693 121 I HA 0.240 4.328 4.170 -0.136 0.000 0.303 121 I C -1.296 174.769 176.117 -0.087 0.000 1.025 121 I CA -1.677 59.529 61.300 -0.157 0.000 1.086 121 I CB 4.017 41.697 38.000 -0.532 0.000 1.268 121 I HN 0.331 8.564 8.210 0.038 0.000 0.440 122 S N 6.060 121.706 115.700 -0.090 0.000 2.580 122 S HA 0.194 4.647 4.470 -0.028 0.000 0.274 122 S C -0.605 173.967 174.600 -0.046 0.000 1.329 122 S CA -0.003 58.167 58.200 -0.050 0.000 1.036 122 S CB 0.722 63.897 63.200 -0.042 0.000 0.919 122 S HN 0.293 8.534 8.310 -0.115 0.000 0.515 123 L N 2.813 124.024 121.223 -0.020 0.000 2.418 123 L HA 0.158 4.500 4.340 0.003 0.000 0.265 123 L C -1.185 175.682 176.870 -0.006 0.000 1.143 123 L CA -1.950 52.890 54.840 -0.001 0.000 0.809 123 L CB 0.288 42.356 42.059 0.014 0.000 1.124 123 L HN 0.191 8.412 8.230 -0.015 0.000 0.456 124 P HA 0.118 4.528 4.420 -0.018 0.000 0.276 124 P C -1.237 176.062 177.300 -0.001 0.000 1.252 124 P CA -0.671 62.425 63.100 -0.007 0.000 0.802 124 P CB 0.766 32.461 31.700 -0.008 0.000 1.035 128 c N 0.670 119.243 118.600 -0.045 0.000 2.520 128 c HA 0.085 4.614 4.570 -0.069 0.000 0.376 128 c C 0.036 174.065 174.090 -0.103 0.000 1.268 128 c CA -0.694 55.593 56.329 -0.071 0.000 2.414 128 c CB 0.478 42.951 42.510 -0.062 0.000 2.521 128 c HN -0.036 8.171 8.230 -0.039 0.000 0.618 129 A N 1.354 124.076 122.820 -0.164 0.000 2.286 129 A HA 0.075 4.320 4.320 -0.126 0.000 0.286 129 A C -0.781 176.698 177.584 -0.175 0.000 1.097 129 A CA -0.300 51.632 52.037 -0.175 0.000 0.821 129 A CB 1.070 19.928 19.000 -0.237 0.000 1.076 129 A HN 0.207 8.231 8.150 -0.209 0.000 0.490 133 G N 2.119 110.880 108.800 -0.064 0.000 2.268 133 G HA2 -0.304 3.624 3.960 -0.053 0.000 0.240 133 G HA3 -0.304 3.629 3.960 -0.044 0.000 0.240 133 G C 0.265 175.127 174.900 -0.064 0.000 1.010 133 G CA -0.058 45.009 45.100 -0.055 0.000 0.618 133 G HN 0.851 8.989 8.290 -0.066 0.112 0.516 134 T N 3.611 118.115 114.554 -0.083 0.000 2.928 134 T HA -0.183 4.128 4.350 -0.064 0.000 0.305 134 T C -1.128 173.525 174.700 -0.078 0.000 1.035 134 T CA 2.381 64.430 62.100 -0.083 0.000 1.145 134 T CB 0.753 69.552 68.868 -0.115 0.000 0.963 134 T HN -0.414 7.684 8.240 -0.097 0.084 0.545 135 Q N 5.610 125.378 119.800 -0.053 0.000 2.256 135 Q HA 0.194 4.623 4.340 -0.047 -0.117 0.254 135 Q C -0.874 175.106 176.000 -0.033 0.000 0.916 135 Q CA 0.162 55.944 55.803 -0.035 0.000 0.932 135 Q CB 1.480 30.213 28.738 -0.008 0.000 1.207 135 Q HN 0.211 8.454 8.270 -0.045 0.000 0.426 136 c N 3.588 122.169 118.600 -0.032 0.000 2.971 136 c HA 0.610 5.279 4.570 -0.018 -0.109 0.310 136 c C -1.879 172.216 174.090 0.008 0.000 1.285 136 c CA -1.583 54.731 56.329 -0.024 0.000 1.593 136 c CB 4.226 46.702 42.510 -0.058 0.000 2.076 136 c HN 0.788 8.889 8.230 -0.035 0.107 0.472 137 L N 0.939 122.177 121.223 0.024 0.000 2.313 137 L HA 0.806 5.344 4.340 0.056 -0.164 0.283 137 L C -2.228 174.659 176.870 0.029 0.000 1.013 137 L CA -1.316 53.553 54.840 0.048 0.000 0.816 137 L CB 2.999 45.108 42.059 0.084 0.000 1.236 137 L HN 0.663 8.798 8.230 0.020 0.107 0.419 138 I N 7.301 127.873 120.570 0.004 0.000 2.530 138 I HA 0.897 5.310 4.170 0.019 -0.232 0.297 138 I C -1.262 174.824 176.117 -0.052 0.000 1.011 138 I CA -1.585 59.713 61.300 -0.003 0.000 1.107 138 I CB 2.741 40.743 38.000 0.003 0.000 1.285 138 I HN 0.897 9.111 8.210 0.006 0.000 0.436 139 S N 2.016 117.677 115.700 -0.065 0.000 2.618 139 S HA 1.048 5.547 4.470 -0.229 -0.166 0.277 139 S C -1.121 173.361 174.600 -0.197 0.000 1.138 139 S CA -1.766 56.320 58.200 -0.191 0.000 0.844 139 S CB 3.775 66.819 63.200 -0.260 0.000 1.127 139 S HN -0.193 8.110 8.310 -0.011 0.000 0.474 140 G N -1.610 106.975 108.800 -0.358 0.000 2.321 140 G HA2 0.107 3.833 3.960 -0.391 0.000 0.298 140 G HA3 0.107 4.159 3.960 -0.060 -0.128 0.298 140 G C -2.408 172.271 174.900 -0.368 0.000 1.385 140 G CA 0.511 45.431 45.100 -0.301 0.000 0.856 140 G HN 0.280 8.290 8.290 -0.467 0.000 0.584 141 W N 1.189 122.420 121.300 -0.115 0.000 2.862 141 W HA 0.389 4.986 4.660 -0.105 0.000 0.426 141 W C -0.300 176.231 176.519 0.021 0.000 0.950 141 W CA -1.028 56.211 57.345 -0.178 0.000 2.150 141 W CB 0.168 29.303 29.460 -0.541 0.000 1.161 141 W HN 0.591 8.929 8.180 0.263 0.000 0.696 142 G N 0.765 109.729 108.800 0.273 0.000 2.621 142 G HA2 -0.026 4.259 3.960 0.526 0.000 0.271 142 G HA3 -0.026 4.276 3.960 0.277 -0.176 0.271 142 G C -1.079 173.952 174.900 0.218 0.000 1.236 142 G CA -0.830 44.477 45.100 0.345 0.000 0.958 142 G HN -0.448 8.078 8.290 0.165 -0.137 0.512 143 N N -0.444 118.321 118.700 0.109 0.000 2.353 143 N HA -0.271 4.279 4.740 -0.640 -0.195 0.248 143 N C 0.913 176.352 175.510 -0.118 0.000 1.240 143 N CA 0.935 53.824 53.050 -0.267 0.000 0.862 143 N CB 0.583 38.907 38.487 -0.271 0.000 1.086 143 N HN 0.084 8.620 8.380 0.260 0.000 0.453 144 T N 0.420 114.885 114.554 -0.148 0.000 3.054 144 T HA 0.184 4.638 4.350 -0.043 -0.130 0.255 144 T C 0.241 174.903 174.700 -0.064 0.000 1.035 144 T CA 0.444 62.501 62.100 -0.071 0.000 0.941 144 T CB 1.347 70.184 68.868 -0.051 0.000 1.026 144 T HN 0.462 8.561 8.240 -0.234 0.000 0.533 145 K N 2.387 122.732 120.400 -0.091 0.000 2.221 145 K HA 0.270 4.567 4.320 -0.040 0.000 0.258 145 K C -0.606 175.970 176.600 -0.040 0.000 0.944 145 K CA -1.170 55.082 56.287 -0.059 0.000 0.823 145 K CB 2.465 34.924 32.500 -0.069 0.000 1.113 145 K HN -0.416 8.029 8.250 -0.143 -0.280 0.431 146 S N 1.185 116.875 115.700 -0.017 0.000 2.458 146 S HA -0.092 4.382 4.470 0.006 0.000 0.223 146 S C 0.032 174.633 174.600 0.002 0.000 1.019 146 S CA 1.878 60.079 58.200 0.001 0.000 0.937 146 S CB 0.718 63.924 63.200 0.009 0.000 0.788 146 S HN 0.147 8.447 8.310 -0.016 0.000 0.511 147 S N 1.511 117.207 115.700 -0.006 0.000 2.269 147 S HA 0.199 4.672 4.470 0.005 0.000 0.194 147 S C -0.845 173.749 174.600 -0.010 0.000 1.547 147 S CA -0.211 57.988 58.200 -0.002 0.000 1.186 147 S CB -0.306 62.895 63.200 0.001 0.000 1.069 147 S HN -0.503 7.768 8.310 -0.012 0.032 0.473 148 G N 1.392 110.185 108.800 -0.012 0.000 2.371 148 G HA2 -0.188 3.770 3.960 -0.004 0.000 0.663 148 G HA3 -0.188 3.761 3.960 -0.019 0.000 0.663 148 G C -2.655 172.213 174.900 -0.053 0.000 1.311 148 G CA -0.778 44.310 45.100 -0.019 0.000 0.985 148 G HN -0.272 8.014 8.290 -0.007 0.000 0.566 149 T N -3.805 110.711 114.554 -0.062 0.000 2.791 149 T HA 0.113 4.469 4.350 -0.279 -0.174 0.288 149 T C -1.364 173.206 174.700 -0.217 0.000 0.999 149 T CA -1.293 60.702 62.100 -0.175 0.000 0.952 149 T CB 1.629 70.484 68.868 -0.021 0.000 0.938 149 T HN -0.163 8.061 8.240 -0.026 0.000 0.444 150 S N 4.907 120.388 115.700 -0.365 0.000 2.707 150 S HA 0.268 4.691 4.470 -0.078 0.000 0.303 150 S C -2.169 172.220 174.600 -0.353 0.000 1.132 150 S CA -0.949 57.131 58.200 -0.200 0.000 1.046 150 S CB 1.458 64.597 63.200 -0.103 0.000 1.004 150 S HN 0.733 9.178 8.310 -0.481 -0.424 0.483 151 Y N 5.683 126.019 120.300 0.060 0.000 2.335 151 Y HA 0.281 4.884 4.550 0.087 0.000 0.338 151 Y C -0.942 175.004 175.900 0.076 0.000 0.977 151 Y CA -3.005 55.143 58.100 0.080 0.000 1.114 151 Y CB 1.370 39.885 38.460 0.093 0.000 1.182 151 Y HN 0.188 8.565 8.280 0.162 0.000 0.463 152 P HA 0.380 4.877 4.420 0.128 0.000 0.278 152 P C -1.548 175.880 177.300 0.213 0.000 1.266 152 P CA -0.825 62.378 63.100 0.171 0.000 0.807 152 P CB 1.971 33.745 31.700 0.122 0.000 1.094 153 D N -2.368 118.135 120.400 0.171 0.000 2.259 153 D HA -0.079 4.627 4.640 0.110 0.000 0.216 153 D C -1.197 175.258 176.300 0.258 0.000 0.961 153 D CA 1.359 55.449 54.000 0.151 0.000 0.878 153 D CB 0.758 41.615 40.800 0.096 0.000 1.009 153 D HN 0.417 8.868 8.370 0.136 0.000 0.490 154 V N -7.644 112.417 119.914 0.245 0.000 2.966 154 V HA 0.593 5.125 4.120 0.429 -0.155 0.317 154 V C -0.715 175.441 176.094 0.102 0.000 1.070 154 V CA -2.759 59.700 62.300 0.265 0.000 1.008 154 V CB 1.961 33.854 31.823 0.117 0.000 1.070 154 V HN -0.923 7.367 8.190 0.166 0.000 0.457 155 L N 1.643 122.783 121.223 -0.139 0.000 2.455 155 L HA -0.050 3.426 4.340 -1.441 0.000 0.272 155 L C -0.273 176.323 176.870 -0.456 0.000 1.174 155 L CA 0.785 55.169 54.840 -0.761 0.000 0.869 155 L CB 0.581 42.172 42.059 -0.779 0.000 1.130 155 L HN -0.108 8.339 8.230 0.074 -0.172 0.474 156 K N 5.752 125.864 120.400 -0.480 0.000 2.156 156 K HA 0.682 4.953 4.320 -0.336 -0.152 0.250 156 K C -1.161 175.179 176.600 -0.433 0.000 0.955 156 K CA -2.565 53.505 56.287 -0.362 0.000 0.855 156 K CB 2.407 34.766 32.500 -0.234 0.000 1.101 156 K HN -0.054 7.834 8.250 -0.604 0.000 0.434 157 c N -0.778 117.466 118.600 -0.593 0.000 2.707 157 c HA 0.979 5.489 4.570 -0.405 -0.184 0.313 157 c C -1.814 171.904 174.090 -0.619 0.000 1.209 157 c CA -0.785 55.141 56.329 -0.672 0.000 1.635 157 c CB 3.664 45.607 42.510 -0.944 0.000 2.206 157 c HN 0.809 8.624 8.230 -0.692 0.000 0.485 158 L N 0.306 121.382 121.223 -0.243 0.000 2.526 158 L HA 0.383 4.787 4.340 0.108 0.000 0.263 158 L C -2.449 174.495 176.870 0.124 0.000 0.943 158 L CA 0.161 55.013 54.840 0.019 0.000 0.859 158 L CB 4.430 46.518 42.059 0.048 0.000 1.313 158 L HN 0.805 8.925 8.230 -0.183 0.000 0.406 159 K N 6.152 126.691 120.400 0.231 0.000 2.211 159 K HA 0.759 5.351 4.320 0.129 -0.195 0.275 159 K C -0.945 175.778 176.600 0.205 0.000 1.024 159 K CA -1.227 55.171 56.287 0.186 0.000 0.887 159 K CB 0.975 33.588 32.500 0.189 0.000 1.084 159 K HN 0.321 8.750 8.250 0.299 0.000 0.463 160 A N 4.007 126.877 122.820 0.083 0.000 2.549 160 A HA 0.635 4.907 4.320 -0.079 0.000 0.297 160 A C -3.419 174.083 177.584 -0.136 0.000 1.061 160 A CA -2.585 49.418 52.037 -0.056 0.000 0.690 160 A CB 3.133 22.101 19.000 -0.054 0.000 1.287 160 A HN 0.954 9.127 8.150 0.039 0.000 0.402 161 P HA 0.733 5.300 4.420 -0.110 -0.213 0.282 161 P C -1.070 176.154 177.300 -0.126 0.000 1.259 161 P CA -1.447 61.558 63.100 -0.159 0.000 0.826 161 P CB 1.555 33.162 31.700 -0.154 0.000 1.064 162 I N 0.176 120.690 120.570 -0.093 0.000 2.441 162 I HA -0.037 4.275 4.170 0.056 -0.108 0.287 162 I C 0.055 176.156 176.117 -0.026 0.000 1.049 162 I CA 0.434 61.707 61.300 -0.044 0.000 1.381 162 I CB 0.261 38.152 38.000 -0.183 0.000 1.409 162 I HN 0.196 8.343 8.210 -0.105 0.000 0.523 163 L N 6.651 127.895 121.223 0.036 0.000 2.431 163 L HA 0.273 4.605 4.340 -0.012 0.000 0.260 163 L C -0.113 176.776 176.870 0.031 0.000 1.098 163 L CA -1.051 53.801 54.840 0.020 0.000 0.800 163 L CB 0.713 42.794 42.059 0.036 0.000 1.210 163 L HN 0.524 8.705 8.230 0.112 0.116 0.465 164 S N -1.822 113.890 115.700 0.019 0.000 2.593 164 S HA -0.097 4.380 4.470 0.011 0.000 0.269 164 S C 0.441 175.067 174.600 0.044 0.000 1.334 164 S CA -0.894 57.318 58.200 0.021 0.000 1.015 164 S CB 1.929 65.136 63.200 0.011 0.000 0.912 164 S HN -0.100 8.217 8.310 0.012 0.000 0.541 165 D N 1.473 121.899 120.400 0.044 0.000 2.178 165 D HA -0.216 4.473 4.640 0.082 0.000 0.201 165 D C 1.459 177.792 176.300 0.054 0.000 0.980 165 D CA 3.508 57.544 54.000 0.060 0.000 0.842 165 D CB -0.409 40.422 40.800 0.051 0.000 0.948 165 D HN 0.593 8.981 8.370 0.030 0.000 0.472 166 S N -1.255 114.468 115.700 0.038 0.000 2.383 166 S HA -0.256 4.236 4.470 0.037 0.000 0.227 166 S C 2.057 176.677 174.600 0.034 0.000 1.026 166 S CA 3.169 61.389 58.200 0.033 0.000 0.981 166 S CB -0.780 62.434 63.200 0.022 0.000 0.818 166 S HN -0.024 8.285 8.310 0.031 0.019 0.472 167 S N 3.819 119.538 115.700 0.032 0.000 2.383 167 S HA -0.235 4.244 4.470 0.016 0.000 0.227 167 S C 1.849 176.473 174.600 0.040 0.000 1.026 167 S CA 4.147 62.362 58.200 0.026 0.000 0.981 167 S CB -0.106 63.106 63.200 0.020 0.000 0.818 167 S HN -0.475 7.853 8.310 0.030 0.000 0.472 168 c N 3.263 121.904 118.600 0.069 0.000 2.432 168 c HA -0.309 4.338 4.570 0.127 0.000 0.277 168 c C 1.752 175.926 174.090 0.141 0.000 1.249 168 c CA 2.721 59.119 56.329 0.116 0.000 1.725 168 c CB -1.695 40.890 42.510 0.124 0.000 2.028 168 c HN -0.047 8.213 8.230 0.066 0.009 0.477 169 K N -1.239 119.226 120.400 0.109 0.000 2.211 169 K HA -0.292 4.122 4.320 0.157 0.000 0.203 169 K C 2.339 178.987 176.600 0.079 0.000 1.050 169 K CA 2.784 59.138 56.287 0.111 0.000 0.945 169 K CB -0.306 32.244 32.500 0.084 0.000 0.732 169 K HN -0.036 8.268 8.250 0.089 0.000 0.451 170 S N -1.040 114.687 115.700 0.044 0.000 2.387 170 S HA -0.201 4.279 4.470 0.017 0.000 0.226 170 S C 1.369 175.951 174.600 -0.030 0.000 1.026 170 S CA 2.632 60.838 58.200 0.010 0.000 0.972 170 S CB 0.031 63.233 63.200 0.002 0.000 0.814 170 S HN -0.546 7.671 8.310 0.046 0.121 0.477 171 A N -0.269 122.512 122.820 -0.066 0.000 1.929 171 A HA -0.104 4.074 4.320 -0.237 0.000 0.216 171 A C -0.259 177.077 177.584 -0.413 0.000 1.176 171 A CA 2.042 53.919 52.037 -0.266 0.000 0.628 171 A CB 0.915 19.705 19.000 -0.351 0.000 0.816 171 A HN -0.583 7.455 8.150 -0.016 0.103 0.444 172 Y N -5.715 114.618 120.300 0.055 0.000 2.562 172 Y HA 0.484 5.104 4.550 0.116 0.000 0.363 172 Y C -2.398 173.563 175.900 0.101 0.000 0.991 172 Y CA -3.532 54.634 58.100 0.109 0.000 1.121 172 Y CB -0.074 38.485 38.460 0.166 0.000 1.159 172 Y HN -0.451 7.899 8.280 0.117 0.000 0.651 173 P HA -0.082 4.528 4.420 0.111 -0.123 0.264 173 P C 0.861 178.234 177.300 0.121 0.000 1.193 173 P CA 1.083 64.253 63.100 0.115 0.000 0.763 173 P CB 0.079 31.818 31.700 0.066 0.000 0.810 174 G N 4.045 112.907 108.800 0.102 0.000 2.189 174 G HA2 -0.367 3.631 3.960 0.062 0.000 0.267 174 G HA3 -0.367 3.629 3.960 0.060 0.000 0.267 174 G C 0.125 175.078 174.900 0.088 0.000 0.975 174 G CA 0.629 45.776 45.100 0.077 0.000 0.644 174 G HN 0.516 8.864 8.290 0.096 0.000 0.537 175 Q N -2.172 117.718 119.800 0.151 0.000 2.217 175 Q HA 0.091 4.465 4.340 0.056 0.000 0.217 175 Q C -0.602 175.529 176.000 0.218 0.000 0.844 175 Q CA -0.418 55.477 55.803 0.152 0.000 0.957 175 Q CB 1.480 30.349 28.738 0.219 0.000 1.127 175 Q HN -0.337 7.979 8.270 0.195 0.071 0.503 176 I N 0.207 120.897 120.570 0.201 0.000 2.336 176 I HA 0.049 4.357 4.170 0.231 0.000 0.292 176 I C -0.370 175.821 176.117 0.123 0.000 0.991 176 I CA -2.240 59.169 61.300 0.181 0.000 1.227 176 I CB -0.587 37.509 38.000 0.160 0.000 1.366 176 I HN -0.491 7.827 8.210 0.179 0.000 0.466 177 T N 2.173 116.796 114.554 0.115 0.000 2.922 177 T HA 0.389 4.777 4.350 0.063 0.000 0.281 177 T C 0.824 175.572 174.700 0.079 0.000 1.005 177 T CA -2.162 59.984 62.100 0.078 0.000 0.982 177 T CB 2.408 71.313 68.868 0.061 0.000 1.158 177 T HN -0.399 7.925 8.240 0.140 0.000 0.566 178 S N -1.920 113.812 115.700 0.054 0.000 2.507 178 S HA -0.218 4.288 4.470 0.060 0.000 0.235 178 S C 0.375 175.011 174.600 0.061 0.000 0.988 178 S CA 2.117 60.346 58.200 0.048 0.000 0.944 178 S CB -0.170 63.039 63.200 0.016 0.000 0.762 178 S HN 0.291 8.624 8.310 0.038 0.000 0.526 179 N N 0.796 119.544 118.700 0.079 0.000 2.276 179 N HA 0.120 4.918 4.740 0.098 0.000 0.212 179 N C -1.831 173.795 175.510 0.193 0.000 1.127 179 N CA -0.273 52.855 53.050 0.130 0.000 0.834 179 N CB 0.651 39.236 38.487 0.164 0.000 1.014 179 N HN -0.588 7.766 8.380 0.075 0.070 0.491 180 M N -1.265 118.434 119.600 0.165 0.000 2.619 180 M HA 0.908 5.676 4.480 0.088 -0.236 0.297 180 M C -2.307 174.102 176.300 0.181 0.000 1.229 180 M CA -0.440 54.934 55.300 0.124 0.000 0.860 180 M CB 5.187 37.841 32.600 0.089 0.000 1.741 180 M HN -0.735 7.544 8.290 0.144 0.098 0.462 181 F N -6.013 113.980 119.950 0.071 0.000 2.668 181 F HA 0.605 5.160 4.527 0.047 0.000 0.309 181 F C -2.926 172.925 175.800 0.084 0.000 1.117 181 F CA -1.665 56.374 58.000 0.064 0.000 0.951 181 F CB 2.358 41.393 39.000 0.058 0.000 1.323 181 F HN 0.167 8.325 8.300 -0.236 0.000 0.451 182 c N -0.151 118.613 118.600 0.273 0.000 2.391 182 c HA 0.983 5.808 4.570 0.085 -0.204 0.339 182 c C -1.174 173.103 174.090 0.313 0.000 1.205 182 c CA -1.169 55.272 56.329 0.186 0.000 1.937 182 c CB 2.736 45.322 42.510 0.126 0.000 2.341 182 c HN 0.963 9.391 8.230 0.331 0.000 0.516 183 A N 3.173 126.159 122.820 0.276 0.000 2.446 183 A HA 0.715 5.237 4.320 0.081 -0.153 0.282 183 A C -2.228 175.400 177.584 0.073 0.000 1.102 183 A CA -0.603 51.512 52.037 0.129 0.000 0.737 183 A CB 2.762 21.741 19.000 -0.036 0.000 1.212 183 A HN 0.467 8.817 8.150 0.332 0.000 0.434 184 Y N 2.866 123.200 120.300 0.056 0.000 2.404 184 Y HA 0.039 4.610 4.550 0.035 0.000 0.344 184 Y C 1.060 176.978 175.900 0.030 0.000 0.995 184 Y CA -0.069 58.054 58.100 0.038 0.000 1.201 184 Y CB 0.387 38.867 38.460 0.034 0.000 1.151 184 Y HN 0.317 8.745 8.280 0.245 0.000 0.517 185 L N 4.063 125.366 121.223 0.133 0.000 2.362 185 L HA -0.330 4.045 4.340 0.057 0.000 0.219 185 L C 1.058 177.974 176.870 0.076 0.000 1.134 185 L CA 2.204 57.089 54.840 0.075 0.000 0.807 185 L CB -0.457 41.626 42.059 0.041 0.000 0.927 185 L HN 0.535 8.830 8.230 0.108 0.000 0.447 186 E N -3.154 117.108 120.200 0.104 0.000 2.427 186 E HA -0.165 4.211 4.350 0.044 0.000 0.196 186 E C 0.265 176.898 176.600 0.054 0.000 1.028 186 E CA 0.251 56.689 56.400 0.064 0.000 0.864 186 E CB -0.216 29.516 29.700 0.054 0.000 0.813 186 E HN 0.065 8.475 8.360 0.156 0.044 0.514 187 G N 0.925 109.775 108.800 0.083 0.000 3.405 187 G HA2 -0.379 3.649 3.960 0.082 0.000 0.676 187 G HA3 -0.379 3.630 3.960 0.042 -0.024 0.676 187 G C -0.835 174.086 174.900 0.035 0.000 1.039 187 G CA -0.181 44.957 45.100 0.063 0.000 0.855 187 G HN -0.489 7.713 8.290 0.131 0.166 0.443 188 K N 1.367 121.767 120.400 0.001 0.000 6.419 188 K HA -0.603 4.000 4.320 0.017 -0.272 0.697 188 K C -1.332 175.370 176.600 0.169 0.000 2.234 188 K CA 0.477 56.782 56.287 0.030 0.000 1.630 188 K CB -0.188 32.233 32.500 -0.133 0.000 1.843 188 K HN 0.240 8.512 8.250 0.038 0.000 0.295 189 D N 0.840 121.320 120.400 0.134 0.000 2.725 189 D HA 0.328 5.093 4.640 0.207 0.000 0.292 189 D C -1.897 174.476 176.300 0.121 0.000 1.288 189 D CA -0.722 53.370 54.000 0.154 0.000 0.784 189 D CB 4.510 45.384 40.800 0.123 0.000 1.308 189 D HN 0.185 8.609 8.370 0.089 0.000 0.429 190 S N -1.703 114.081 115.700 0.140 0.000 2.707 190 S HA 0.392 4.987 4.470 0.098 -0.066 0.276 190 S C -1.379 173.273 174.600 0.086 0.000 1.179 190 S CA -0.701 57.572 58.200 0.123 0.000 0.992 190 S CB 1.845 65.162 63.200 0.194 0.000 1.030 190 S HN 0.281 8.692 8.310 0.167 0.000 0.554 191 c N -1.634 117.020 118.600 0.091 0.000 3.314 191 c HA 0.230 4.846 4.570 0.077 0.000 0.344 191 c C -1.605 172.568 174.090 0.139 0.000 1.461 191 c CA -0.486 55.898 56.329 0.091 0.000 1.249 191 c CB 3.002 45.551 42.510 0.066 0.000 1.632 191 c HN 0.357 8.945 8.230 0.106 -0.293 0.452 192 Q N 1.951 121.845 119.800 0.156 0.000 2.310 192 Q HA -0.420 4.050 4.340 0.217 0.000 0.315 192 Q C 1.028 177.208 176.000 0.300 0.000 1.081 192 Q CA 2.182 58.117 55.803 0.220 0.000 0.981 192 Q CB 0.502 29.371 28.738 0.220 0.000 1.184 192 Q HN 0.468 8.813 8.270 0.126 0.000 0.389 193 G N 6.632 115.617 108.800 0.307 0.000 2.279 193 G HA2 -0.453 3.704 3.960 0.328 0.000 0.223 193 G HA3 -0.453 3.802 3.960 0.491 0.000 0.223 193 G C 0.563 175.694 174.900 0.385 0.000 1.015 193 G CA 1.028 46.359 45.100 0.385 0.000 0.621 193 G HN 0.542 8.996 8.290 0.273 0.000 0.506 194 D N 2.611 123.174 120.400 0.273 0.000 2.305 194 D HA 0.069 4.854 4.640 0.241 0.000 0.206 194 D C 0.180 176.584 176.300 0.174 0.000 0.974 194 D CA 1.173 55.300 54.000 0.212 0.000 0.871 194 D CB 0.604 41.495 40.800 0.150 0.000 0.947 194 D HN 0.063 8.479 8.370 0.246 0.101 0.516 195 S N -0.699 115.103 115.700 0.169 0.000 2.715 195 S HA -0.617 4.075 4.470 0.139 -0.139 0.318 195 S C 0.980 175.597 174.600 0.029 0.000 1.242 195 S CA 2.108 60.384 58.200 0.126 0.000 1.044 195 S CB -0.244 63.076 63.200 0.199 0.000 0.760 195 S HN -0.617 7.778 8.310 0.201 0.035 0.501 196 G N 5.102 113.903 108.800 0.001 0.000 2.284 196 G HA2 -0.463 3.549 3.960 -0.037 0.000 0.247 196 G HA3 -0.463 3.574 3.960 -0.060 -0.113 0.247 196 G C -0.011 174.921 174.900 0.053 0.000 1.012 196 G CA 0.193 45.282 45.100 -0.018 0.000 0.618 196 G HN 0.874 9.076 8.290 0.029 0.105 0.521 197 G N 0.978 109.835 108.800 0.094 0.000 2.563 197 G HA2 0.390 4.490 3.960 0.120 0.000 0.283 197 G HA3 0.390 4.422 3.960 0.121 0.000 0.283 197 G C -2.724 172.259 174.900 0.139 0.000 1.309 197 G CA -1.919 43.253 45.100 0.120 0.000 1.022 197 G HN -0.047 8.125 8.290 0.102 0.179 0.501 198 P HA 0.367 4.993 4.420 0.144 -0.120 0.286 198 P C -1.660 175.713 177.300 0.121 0.000 1.261 198 P CA -0.952 62.245 63.100 0.162 0.000 0.821 198 P CB 1.608 33.470 31.700 0.269 0.000 1.013 199 V N 2.914 122.881 119.914 0.088 0.000 2.380 199 V HA 0.273 4.548 4.120 -0.003 -0.157 0.286 199 V C -1.286 174.826 176.094 0.029 0.000 1.015 199 V CA -0.490 61.823 62.300 0.022 0.000 0.834 199 V CB 1.458 33.271 31.823 -0.016 0.000 1.009 199 V HN -0.111 8.139 8.190 0.099 0.000 0.428 200 V N 8.043 127.967 119.914 0.016 0.000 2.417 200 V HA 0.572 4.841 4.120 -0.056 -0.183 0.291 200 V C -1.360 174.718 176.094 -0.028 0.000 1.024 200 V CA -1.174 61.108 62.300 -0.031 0.000 0.861 200 V CB 2.743 34.533 31.823 -0.053 0.000 0.985 200 V HN 0.588 8.801 8.190 0.038 0.000 0.436 201 c N 7.547 126.117 118.600 -0.050 0.000 2.431 201 c HA 0.576 5.124 4.570 -0.036 0.000 0.321 201 c C 0.109 174.169 174.090 -0.051 0.000 1.202 201 c CA -1.294 55.003 56.329 -0.052 0.000 1.398 201 c CB 2.162 44.622 42.510 -0.083 0.000 2.047 201 c HN 0.780 8.973 8.230 -0.061 0.000 0.465 202 S N 5.509 121.188 115.700 -0.035 0.000 3.559 202 S HA -0.344 4.114 4.470 -0.019 0.000 0.369 202 S C 0.397 174.975 174.600 -0.036 0.000 0.987 202 S CA 0.960 59.142 58.200 -0.031 0.000 1.187 202 S CB -1.331 61.847 63.200 -0.036 0.000 0.914 202 S HN 1.115 9.410 8.310 -0.026 0.000 0.480 203 G N -4.644 104.132 108.800 -0.039 0.000 2.187 203 G HA2 -0.361 3.558 3.960 -0.068 0.000 0.261 203 G HA3 -0.361 3.574 3.960 -0.042 0.000 0.261 203 G C -0.805 174.040 174.900 -0.092 0.000 1.000 203 G CA 0.591 45.655 45.100 -0.060 0.000 0.718 203 G HN 0.317 8.585 8.290 -0.029 0.005 0.519 210 Q N 1.106 120.927 119.800 0.036 0.000 2.392 210 Q HA 0.188 4.564 4.340 0.061 0.000 0.219 210 Q C -0.232 175.928 176.000 0.266 0.000 0.895 210 Q CA 0.221 56.066 55.803 0.070 0.000 0.929 210 Q CB 2.578 31.276 28.738 -0.067 0.000 1.077 210 Q HN 0.352 8.634 8.270 0.019 0.000 0.532 211 G N -3.163 105.809 108.800 0.287 0.000 2.695 211 G HA2 0.602 5.046 3.960 0.396 0.000 0.290 211 G HA3 0.602 4.829 3.960 0.445 0.000 0.290 211 G C -3.322 171.703 174.900 0.208 0.000 1.410 211 G CA -0.561 44.752 45.100 0.355 0.000 0.844 211 G HN -0.356 8.041 8.290 0.179 0.000 0.478 212 I N -1.241 119.446 120.570 0.195 0.000 2.498 212 I HA 0.581 5.059 4.170 0.160 -0.212 0.290 212 I C -0.385 175.863 176.117 0.217 0.000 1.032 212 I CA -1.472 59.925 61.300 0.162 0.000 1.073 212 I CB 4.255 42.307 38.000 0.087 0.000 1.251 212 I HN -0.302 8.016 8.210 0.180 0.000 0.426 213 V N 7.204 127.257 119.914 0.232 0.000 2.493 213 V HA -0.191 3.985 4.120 0.094 0.000 0.292 213 V C -1.132 174.978 176.094 0.027 0.000 1.016 213 V CA 2.093 64.480 62.300 0.145 0.000 1.097 213 V CB -1.055 30.875 31.823 0.180 0.000 0.947 213 V HN 0.338 8.649 8.190 0.201 0.000 0.479 214 S N 7.425 123.045 115.700 -0.132 0.000 3.226 214 S HA 0.416 5.065 4.470 0.299 0.000 0.195 214 S C -1.480 173.225 174.600 0.175 0.000 0.793 214 S CA 0.946 59.216 58.200 0.117 0.000 0.816 214 S CB 2.435 65.701 63.200 0.110 0.000 0.847 214 S HN -0.180 7.837 8.310 -0.489 0.000 0.630 215 W N -4.098 117.054 121.300 -0.248 0.000 3.018 215 W HA 0.273 4.836 4.660 -0.161 0.000 0.382 215 W C -2.494 173.857 176.519 -0.280 0.000 1.161 215 W CA -0.974 56.233 57.345 -0.229 0.000 1.144 215 W CB 1.423 30.746 29.460 -0.228 0.000 1.499 215 W HN -0.365 7.513 8.180 -0.505 0.000 0.596 216 G N -3.481 105.364 108.800 0.075 0.000 2.338 216 G HA2 0.063 3.726 3.960 -0.496 0.000 0.295 216 G HA3 0.063 3.946 3.960 -0.128 0.000 0.295 216 G C -2.070 172.968 174.900 0.229 0.000 1.461 216 G CA 0.086 45.131 45.100 -0.091 0.000 0.817 216 G HN -0.039 8.496 8.290 0.408 0.000 0.556 220 c N 1.970 120.606 118.600 0.061 0.000 3.471 220 c HA 0.302 5.043 4.570 0.062 -0.134 0.191 220 c C -1.535 172.586 174.090 0.051 0.000 1.480 220 c CA -0.715 55.647 56.329 0.056 0.000 1.281 220 c CB -1.169 41.369 42.510 0.047 0.000 1.898 220 c HN 0.341 8.602 8.230 0.052 0.000 0.533 221 Q N -1.522 118.309 119.800 0.052 0.000 2.920 221 Q HA 0.120 4.478 4.340 0.031 0.000 0.255 221 Q C -1.370 174.650 176.000 0.033 0.000 0.976 221 Q CA -0.579 55.247 55.803 0.037 0.000 0.862 221 Q CB 2.523 31.283 28.738 0.037 0.000 1.952 221 Q HN 0.180 8.486 8.270 0.061 0.000 0.489 222 K N 3.887 124.300 120.400 0.021 0.000 2.436 222 K HA -0.250 4.209 4.320 0.029 -0.121 0.275 222 K C 0.270 176.866 176.600 -0.007 0.000 0.999 222 K CA 0.705 57.001 56.287 0.015 0.000 0.980 222 K CB 0.042 32.548 32.500 0.010 0.000 0.919 222 K HN 0.249 8.509 8.250 0.018 0.000 0.484 223 N N 2.123 120.816 118.700 -0.011 0.000 2.678 223 N HA -0.478 4.238 4.740 -0.040 0.000 0.250 223 N C -1.707 173.726 175.510 -0.128 0.000 1.136 223 N CA 1.853 54.870 53.050 -0.055 0.000 0.757 223 N CB -0.460 37.988 38.487 -0.064 0.000 1.135 223 N HN 0.766 9.031 8.380 0.011 0.121 0.565 224 K N -2.724 117.629 120.400 -0.078 0.000 2.842 224 K HA 0.542 4.640 4.320 -0.370 0.000 0.176 224 K C -2.421 174.225 176.600 0.077 0.000 1.080 224 K CA -3.453 52.776 56.287 -0.096 0.000 0.954 224 K CB -0.044 32.451 32.500 -0.009 0.000 1.203 224 K HN -0.762 7.423 8.250 -0.016 0.055 0.611 225 P HA -0.042 4.442 4.420 0.107 0.000 0.274 225 P C -0.527 176.817 177.300 0.074 0.000 1.260 225 P CA -0.429 62.740 63.100 0.117 0.000 0.793 225 P CB 1.138 32.898 31.700 0.100 0.000 1.048 226 G N -2.330 106.481 108.800 0.018 0.000 2.503 226 G HA2 0.292 4.127 3.960 -0.369 0.000 0.257 226 G HA3 0.292 4.111 3.960 -0.235 0.000 0.257 226 G C -1.820 172.764 174.900 -0.527 0.000 1.214 226 G CA -0.627 44.301 45.100 -0.286 0.000 0.839 226 G HN -0.373 7.991 8.290 0.124 0.000 0.559 227 V N 2.500 121.765 119.914 -1.081 0.000 2.495 227 V HA 0.650 4.547 4.120 -0.660 -0.173 0.298 227 V C -0.994 174.359 176.094 -1.236 0.000 1.031 227 V CA -0.983 60.655 62.300 -1.104 0.000 0.871 227 V CB 2.187 32.934 31.823 -1.793 0.000 0.988 227 V HN 0.525 8.024 8.190 -1.153 0.000 0.432 228 Y N 5.235 125.125 120.300 -0.682 0.000 2.524 228 Y HA 0.571 5.034 4.550 -0.376 -0.138 0.344 228 Y C 0.293 175.912 175.900 -0.468 0.000 1.012 228 Y CA -2.276 55.437 58.100 -0.646 0.000 1.068 228 Y CB 3.771 41.571 38.460 -1.099 0.000 1.249 228 Y HN 1.086 9.000 8.280 -0.609 0.000 0.468 229 T N 4.678 119.200 114.554 -0.052 0.000 2.851 229 T HA 0.067 4.650 4.350 0.110 -0.167 0.298 229 T C -0.682 174.153 174.700 0.224 0.000 0.977 229 T CA 1.247 63.400 62.100 0.088 0.000 1.126 229 T CB 0.527 69.428 68.868 0.054 0.000 0.916 229 T HN 0.414 8.652 8.240 -0.002 0.000 0.529 230 K N 8.453 129.066 120.400 0.354 0.000 2.127 230 K HA 0.080 4.814 4.320 0.690 0.000 0.261 230 K C 0.999 177.851 176.600 0.421 0.000 1.129 230 K CA -0.462 56.110 56.287 0.475 0.000 0.993 230 K CB -0.425 32.303 32.500 0.380 0.000 1.410 230 K HN 0.283 8.619 8.250 0.320 0.107 0.380 231 V N 6.053 126.196 119.914 0.381 0.000 2.380 231 V HA -0.547 3.864 4.120 0.486 0.000 0.251 231 V C 1.453 177.707 176.094 0.266 0.000 1.063 231 V CA 3.979 66.490 62.300 0.350 0.000 1.055 231 V CB -0.313 31.646 31.823 0.227 0.000 0.657 231 V HN 0.253 8.676 8.190 0.388 0.000 0.455 232 c N -3.619 115.075 118.600 0.156 0.000 2.409 232 c HA -0.222 4.393 4.570 0.074 0.000 0.284 232 c C 1.692 175.801 174.090 0.031 0.000 1.354 232 c CA 1.644 58.017 56.329 0.074 0.000 1.787 232 c CB -2.108 40.416 42.510 0.023 0.000 1.900 232 c HN 0.473 8.794 8.230 0.152 0.000 0.520 233 N N 0.099 118.785 118.700 -0.024 0.000 2.467 233 N HA -0.068 4.578 4.740 -0.158 0.000 0.184 233 N C -0.124 175.144 175.510 -0.404 0.000 1.106 233 N CA 1.008 53.906 53.050 -0.254 0.000 0.892 233 N CB -0.131 38.078 38.487 -0.465 0.000 0.969 233 N HN -0.340 8.030 8.380 0.059 0.045 0.454 234 Y N -4.767 115.598 120.300 0.109 0.000 2.557 234 Y HA 0.122 4.800 4.550 0.214 0.000 0.247 234 Y C 0.149 176.181 175.900 0.219 0.000 1.164 234 Y CA -0.391 57.825 58.100 0.194 0.000 1.218 234 Y CB -0.036 38.550 38.460 0.209 0.000 1.210 234 Y HN -0.066 8.113 8.280 0.166 0.201 0.529 235 V N 1.085 121.133 119.914 0.223 0.000 2.287 235 V HA -0.570 3.645 4.120 0.158 0.000 0.248 235 V C 1.313 177.479 176.094 0.120 0.000 1.053 235 V CA 5.015 67.404 62.300 0.149 0.000 1.027 235 V CB -0.556 31.315 31.823 0.081 0.000 0.646 235 V HN -0.814 7.469 8.190 0.155 0.000 0.447 236 S N -0.026 115.744 115.700 0.117 0.000 2.382 236 S HA -0.332 4.159 4.470 0.035 0.000 0.228 236 S C 1.644 176.313 174.600 0.114 0.000 1.027 236 S CA 3.662 61.912 58.200 0.084 0.000 0.991 236 S CB -0.501 62.746 63.200 0.077 0.000 0.823 236 S HN 0.186 8.563 8.310 0.111 0.000 0.469 237 W N 3.756 125.093 121.300 0.060 0.000 2.355 237 W HA -0.158 4.526 4.660 0.039 0.000 0.309 237 W C 1.646 178.178 176.519 0.022 0.000 1.206 237 W CA 2.958 60.348 57.345 0.075 0.000 1.284 237 W CB 0.055 29.643 29.460 0.214 0.000 1.145 237 W HN -0.440 7.954 8.180 0.373 0.010 0.502 238 I N -0.599 120.015 120.570 0.074 0.000 2.142 238 I HA -0.765 3.070 4.170 -0.559 0.000 0.240 238 I C 1.827 177.728 176.117 -0.360 0.000 1.078 238 I CA 4.570 65.729 61.300 -0.236 0.000 1.343 238 I CB -0.235 37.768 38.000 0.005 0.000 1.046 238 I HN 0.372 8.795 8.210 0.354 0.000 0.405 239 K N -0.879 119.403 120.400 -0.198 0.000 2.032 239 K HA -0.433 3.740 4.320 -0.244 0.000 0.209 239 K C 2.745 179.194 176.600 -0.252 0.000 1.048 239 K CA 3.833 59.996 56.287 -0.207 0.000 0.927 239 K CB -0.352 32.085 32.500 -0.104 0.000 0.712 239 K HN -0.004 8.195 8.250 -0.084 0.000 0.441 240 Q N -2.183 117.479 119.800 -0.230 0.000 2.084 240 Q HA -0.290 3.952 4.340 -0.163 0.000 0.202 240 Q C 2.667 178.473 176.000 -0.323 0.000 0.978 240 Q CA 3.383 59.054 55.803 -0.219 0.000 0.844 240 Q CB 0.032 28.680 28.738 -0.149 0.000 0.898 240 Q HN 0.225 8.278 8.270 -0.183 0.107 0.426 241 T N 2.584 116.819 114.554 -0.533 0.000 2.777 241 T HA -0.251 3.842 4.350 -0.430 0.000 0.266 241 T C 2.273 176.644 174.700 -0.548 0.000 1.040 241 T CA 4.893 66.631 62.100 -0.604 0.000 1.141 241 T CB -0.147 68.076 68.868 -1.075 0.000 0.868 241 T HN -0.075 7.785 8.240 -0.633 0.000 0.444 242 I N 1.055 121.200 120.570 -0.708 0.000 2.252 242 I HA -0.445 2.971 4.170 -1.257 0.000 0.245 242 I C 1.745 177.650 176.117 -0.353 0.000 1.102 242 I CA 3.733 64.515 61.300 -0.863 0.000 1.385 242 I CB -0.402 37.008 38.000 -0.982 0.000 1.064 242 I HN 0.062 7.858 8.210 -0.691 0.000 0.414 243 A N -0.178 122.479 122.820 -0.272 0.000 1.972 243 A HA -0.203 4.059 4.320 -0.096 0.000 0.219 243 A C 1.155 178.690 177.584 -0.081 0.000 1.169 243 A CA 2.871 54.828 52.037 -0.134 0.000 0.635 243 A CB -0.428 18.500 19.000 -0.119 0.000 0.810 243 A HN 0.019 7.968 8.150 -0.323 0.007 0.446 244 S N -4.279 111.361 115.700 -0.101 0.000 2.597 244 S HA 0.087 4.542 4.470 -0.025 0.000 0.224 244 S C -1.173 173.431 174.600 0.006 0.000 0.955 244 S CA 0.935 59.108 58.200 -0.045 0.000 0.933 244 S CB 0.441 63.604 63.200 -0.063 0.000 0.788 244 S HN -0.466 7.620 8.310 -0.168 0.122 0.488 245 N N 0.000 118.734 118.700 0.056 0.000 1.763 245 N HA 0.000 4.814 4.740 0.123 0.000 0.220 245 N CA 0.000 53.160 53.050 0.184 0.000 0.885 245 N CB 0.000 38.672 38.487 0.308 0.000 1.341 245 N HN 0.000 8.225 8.380 0.025 0.170 0.667