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 1c5s_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 4.176 4.170 0.010 0.000 0.288 16 I C 0.000 176.100 176.117 -0.028 0.000 1.063 16 I CA 0.000 61.288 61.300 -0.021 0.000 1.566 16 I CB 0.000 37.959 38.000 -0.069 0.000 1.214 17 V N 5.001 124.912 119.914 -0.004 0.000 2.513 17 V HA 0.262 4.370 4.120 -0.020 0.000 0.299 17 V C 0.508 176.608 176.094 0.009 0.000 1.035 17 V CA -1.751 60.546 62.300 -0.004 0.000 0.889 17 V CB 1.322 33.149 31.823 0.005 0.000 0.988 17 V HN 0.858 9.059 8.190 0.018 0.000 0.440 18 G N 6.554 115.355 108.800 0.002 0.000 2.198 18 G HA2 -0.400 3.562 3.960 0.003 0.000 0.260 18 G HA3 -0.400 3.704 3.960 -0.001 -0.145 0.260 18 G C -0.708 174.209 174.900 0.028 0.000 1.025 18 G CA 0.570 45.674 45.100 0.006 0.000 0.769 18 G HN 0.809 9.095 8.290 -0.006 0.000 0.507 19 G N -1.370 107.441 108.800 0.019 0.000 2.828 19 G HA2 0.555 4.581 3.960 0.111 0.000 0.244 19 G HA3 0.555 4.581 3.960 -0.083 -0.116 0.244 19 G C -1.807 173.142 174.900 0.083 0.000 1.365 19 G CA -1.118 43.996 45.100 0.023 0.000 1.041 19 G HN -0.647 7.613 8.290 -0.004 0.028 0.560 20 Y N -5.891 114.392 120.300 -0.028 0.000 2.634 20 Y HA 0.420 4.955 4.550 -0.025 0.000 0.340 20 Y C -1.842 174.034 175.900 -0.040 0.000 1.058 20 Y CA -2.739 55.343 58.100 -0.029 0.000 1.081 20 Y CB 1.247 39.693 38.460 -0.024 0.000 1.295 20 Y HN 0.249 8.207 8.280 -0.538 0.000 0.487 21 T N 2.642 117.256 114.554 0.101 0.000 2.814 21 T HA 0.027 4.461 4.350 -0.093 -0.140 0.297 21 T C 0.283 175.022 174.700 0.064 0.000 0.956 21 T CA 1.604 63.709 62.100 0.007 0.000 1.123 21 T CB 0.012 68.908 68.868 0.047 0.000 0.902 21 T HN 0.176 8.530 8.240 0.189 0.000 0.528 22 c N 6.389 124.933 118.600 -0.093 0.000 2.436 22 c HA -0.066 4.539 4.570 0.057 0.000 0.277 22 c C 0.518 174.640 174.090 0.054 0.000 1.241 22 c CA 0.912 57.221 56.329 -0.032 0.000 1.721 22 c CB -0.425 41.989 42.510 -0.161 0.000 2.043 22 c HN 0.461 8.584 8.230 -0.179 0.000 0.472 23 G N -2.326 106.479 108.800 0.009 0.000 2.465 23 G HA2 -0.177 3.800 3.960 0.029 0.000 0.681 23 G HA3 -0.177 3.803 3.960 0.033 0.000 0.681 23 G C -2.387 172.514 174.900 0.002 0.000 1.340 23 G CA -0.853 44.261 45.100 0.022 0.000 0.884 23 G HN -0.490 7.783 8.290 -0.028 0.000 0.650 24 A N 2.494 125.324 122.820 0.015 0.000 2.524 24 A HA -0.187 4.382 4.320 0.026 -0.233 0.250 24 A C -0.260 177.328 177.584 0.007 0.000 1.078 24 A CA 0.901 52.949 52.037 0.019 0.000 0.761 24 A CB 0.001 19.018 19.000 0.029 0.000 1.012 24 A HN 0.242 8.405 8.150 0.022 0.000 0.500 25 N N -1.391 117.310 118.700 0.002 0.000 2.716 25 N HA -0.361 4.365 4.740 -0.023 0.000 0.250 25 N C 0.098 175.587 175.510 -0.034 0.000 1.033 25 N CA 1.441 54.483 53.050 -0.015 0.000 0.727 25 N CB -1.702 36.788 38.487 0.005 0.000 0.950 25 N HN 0.575 8.964 8.380 0.015 0.000 0.541 26 T N -4.179 110.344 114.554 -0.052 0.000 3.065 26 T HA -0.020 4.320 4.350 -0.016 0.000 0.252 26 T C -0.373 174.271 174.700 -0.095 0.000 1.099 26 T CA 1.191 63.267 62.100 -0.039 0.000 1.063 26 T CB 0.705 69.566 68.868 -0.011 0.000 0.948 26 T HN -0.540 7.663 8.240 -0.061 0.000 0.506 27 V N 2.505 122.300 119.914 -0.198 0.000 2.271 27 V HA 0.362 4.209 4.120 -0.456 0.000 0.259 27 V C -0.982 174.808 176.094 -0.508 0.000 1.030 27 V CA -3.570 58.454 62.300 -0.460 0.000 0.957 27 V CB 0.608 32.139 31.823 -0.486 0.000 1.186 27 V HN -0.386 7.649 8.190 -0.170 0.053 0.471 28 P HA 0.017 4.487 4.420 -0.084 -0.100 0.226 28 P C 0.224 177.482 177.300 -0.070 0.000 1.153 28 P CA 1.710 64.742 63.100 -0.113 0.000 0.777 28 P CB 0.109 31.811 31.700 0.003 0.000 0.794 29 Y N -5.760 114.564 120.300 0.041 0.000 2.466 29 Y HA 0.493 5.236 4.550 0.057 -0.158 0.272 29 Y C -0.578 175.360 175.900 0.062 0.000 1.169 29 Y CA -3.393 54.737 58.100 0.051 0.000 1.285 29 Y CB -1.463 37.023 38.460 0.043 0.000 1.078 29 Y HN -0.407 7.381 8.280 -0.729 0.054 0.523 30 Q N 2.235 121.909 119.800 -0.210 0.000 2.314 30 Q HA 0.260 4.785 4.340 0.079 -0.138 0.258 30 Q C -0.650 175.431 176.000 0.135 0.000 0.954 30 Q CA 0.024 55.803 55.803 -0.041 0.000 0.890 30 Q CB 0.895 29.497 28.738 -0.227 0.000 1.210 30 Q HN -0.629 7.190 8.270 -0.467 0.171 0.410 31 V N 6.552 126.589 119.914 0.204 0.000 2.864 31 V HA 0.460 4.837 4.120 0.201 -0.136 0.314 31 V C -1.478 174.791 176.094 0.293 0.000 1.073 31 V CA -1.513 60.914 62.300 0.211 0.000 0.956 31 V CB 3.748 35.651 31.823 0.134 0.000 1.023 31 V HN 0.381 8.685 8.190 0.191 0.000 0.435 32 S N 2.536 118.323 115.700 0.145 0.000 2.478 32 S HA 0.511 5.248 4.470 0.239 -0.124 0.312 32 S C -1.336 173.183 174.600 -0.135 0.000 1.094 32 S CA -1.874 56.346 58.200 0.033 0.000 1.081 32 S CB 1.520 64.503 63.200 -0.362 0.000 1.007 32 S HN 0.262 8.621 8.310 0.081 0.000 0.475 33 L N 7.502 128.522 121.223 -0.338 0.000 2.275 33 L HA 0.617 4.933 4.340 -0.283 -0.146 0.288 33 L C -1.532 174.962 176.870 -0.626 0.000 1.046 33 L CA -0.905 53.623 54.840 -0.521 0.000 0.805 33 L CB 1.063 42.599 42.059 -0.871 0.000 1.193 33 L HN 0.873 8.863 8.230 -0.400 0.000 0.426 38 G N 0.241 108.829 108.800 -0.352 0.000 2.195 38 G HA2 -0.268 3.625 3.960 -0.113 0.000 0.224 38 G HA3 -0.268 3.654 3.960 -0.065 0.000 0.224 38 G C -1.751 173.128 174.900 -0.036 0.000 0.990 38 G CA 0.238 45.243 45.100 -0.158 0.000 0.639 38 G HN 0.096 8.439 8.290 -0.291 -0.228 0.514 39 Y N -7.250 113.030 120.300 -0.034 0.000 2.702 39 Y HA 0.203 4.718 4.550 -0.059 0.000 0.336 39 Y C -2.499 173.415 175.900 0.024 0.000 1.203 39 Y CA -3.395 54.688 58.100 -0.027 0.000 1.072 39 Y CB 0.749 39.194 38.460 -0.026 0.000 1.327 39 Y HN -1.265 6.627 8.280 -0.699 -0.031 0.456 40 H N 2.395 121.477 119.070 0.020 0.000 2.803 40 H HA 0.041 4.634 4.556 -0.235 -0.178 0.330 40 H C -0.312 175.096 175.328 0.135 0.000 1.057 40 H CA -0.262 55.730 56.048 -0.093 0.000 1.458 40 H CB 0.411 30.057 29.762 -0.194 0.000 1.470 40 H HN 0.302 8.707 8.280 0.207 0.000 0.560 41 F N 2.435 122.032 119.950 -0.588 0.000 2.880 41 F HA 0.336 4.780 4.527 -0.138 0.000 0.346 41 F C -1.530 174.033 175.800 -0.394 0.000 1.054 41 F CA -0.763 57.051 58.000 -0.310 0.000 1.151 41 F CB 1.470 40.426 39.000 -0.073 0.000 1.066 41 F HN 0.046 7.697 8.300 -1.082 0.000 0.566 42 c N -1.270 116.606 118.600 -1.207 0.000 3.312 42 c HA 0.316 4.750 4.570 -0.228 0.000 0.332 42 c C -1.742 172.153 174.090 -0.325 0.000 1.340 42 c CA -0.137 55.849 56.329 -0.571 0.000 1.265 42 c CB 4.053 46.285 42.510 -0.463 0.000 1.563 42 c HN -0.804 6.432 8.230 -1.657 0.000 0.471 43 G N -0.772 108.031 108.800 0.005 0.000 2.552 43 G HA2 0.805 5.118 3.960 0.282 0.000 0.324 43 G HA3 0.805 4.908 3.960 0.238 0.000 0.324 43 G C -2.491 172.447 174.900 0.063 0.000 1.217 43 G CA -1.578 43.626 45.100 0.174 0.000 0.989 43 G HN 0.740 9.037 8.290 0.011 0.000 0.490 44 G N -3.752 105.117 108.800 0.115 0.000 2.550 44 G HA2 0.591 4.857 3.960 0.086 0.000 0.293 44 G HA3 0.591 4.594 3.960 0.071 0.000 0.293 44 G C -2.969 172.022 174.900 0.152 0.000 1.402 44 G CA 0.195 45.355 45.100 0.099 0.000 0.784 44 G HN -0.489 7.905 8.290 0.173 0.000 0.482 45 S N -0.731 115.062 115.700 0.155 0.000 2.521 45 S HA 0.863 5.707 4.470 0.275 -0.209 0.295 45 S C -1.419 173.285 174.600 0.173 0.000 1.098 45 S CA -0.898 57.425 58.200 0.205 0.000 0.999 45 S CB 3.865 67.171 63.200 0.175 0.000 1.034 45 S HN 0.259 8.647 8.310 0.130 0.000 0.483 46 L N 5.704 127.043 121.223 0.194 0.000 2.290 46 L HA 0.266 4.817 4.340 0.149 -0.122 0.284 46 L C -0.624 176.330 176.870 0.140 0.000 1.078 46 L CA -0.418 54.517 54.840 0.159 0.000 0.815 46 L CB 1.366 43.516 42.059 0.153 0.000 1.162 46 L HN 0.232 8.614 8.230 0.253 0.000 0.435 47 I N -0.142 120.508 120.570 0.133 0.000 4.035 47 I HA 0.436 4.797 4.170 0.065 -0.152 0.321 47 I C -0.843 175.331 176.117 0.095 0.000 1.289 47 I CA -0.359 60.996 61.300 0.093 0.000 1.236 47 I CB 0.908 38.953 38.000 0.075 0.000 1.076 47 I HN 0.515 8.822 8.210 0.163 0.000 0.418 48 N N -2.687 116.092 118.700 0.132 0.000 3.227 48 N HA 0.120 4.915 4.740 0.091 0.000 0.241 48 N C -0.468 175.118 175.510 0.127 0.000 1.480 48 N CA -0.352 52.770 53.050 0.121 0.000 0.886 48 N CB 1.306 39.869 38.487 0.127 0.000 1.406 48 N HN -0.962 7.513 8.380 0.159 0.000 0.514 49 S N -1.902 113.858 115.700 0.100 0.000 2.440 49 S HA -0.354 4.153 4.470 0.061 0.000 0.238 49 S C 1.005 175.632 174.600 0.045 0.000 1.010 49 S CA 2.712 60.953 58.200 0.068 0.000 0.972 49 S CB 0.084 63.314 63.200 0.050 0.000 0.774 49 S HN 0.476 8.840 8.310 0.091 0.000 0.501 50 Q N -2.383 117.459 119.800 0.070 0.000 2.281 50 Q HA 0.227 4.487 4.340 -0.133 0.000 0.215 50 Q C -0.997 174.837 176.000 -0.277 0.000 0.867 50 Q CA 0.325 56.069 55.803 -0.098 0.000 0.940 50 Q CB 1.208 29.876 28.738 -0.117 0.000 1.111 50 Q HN 0.062 8.383 8.270 0.155 0.042 0.513 51 W N -2.514 118.790 121.300 0.007 0.000 2.936 51 W HA 0.655 5.510 4.660 0.005 -0.192 0.338 51 W C -1.498 175.033 176.519 0.020 0.000 1.121 51 W CA -0.911 56.437 57.345 0.005 0.000 1.209 51 W CB 3.791 33.242 29.460 -0.016 0.000 1.420 51 W HN -0.603 7.737 8.180 0.267 0.000 0.516 52 V N 0.758 120.841 119.914 0.282 0.000 2.823 52 V HA 0.860 5.264 4.120 0.176 -0.178 0.312 52 V C -2.047 174.166 176.094 0.198 0.000 1.072 52 V CA -1.538 60.876 62.300 0.189 0.000 0.937 52 V CB 4.005 35.898 31.823 0.117 0.000 1.013 52 V HN 0.855 9.234 8.190 0.314 0.000 0.430 53 V N 5.737 125.742 119.914 0.152 0.000 2.555 53 V HA 0.922 5.308 4.120 0.156 -0.172 0.302 53 V C -2.222 173.934 176.094 0.103 0.000 1.038 53 V CA -2.611 59.770 62.300 0.135 0.000 0.887 53 V CB 3.338 35.232 31.823 0.118 0.000 0.991 53 V HN 0.599 8.873 8.190 0.141 0.000 0.434 54 S N 6.700 122.449 115.700 0.081 0.000 2.880 54 S HA 0.575 5.243 4.470 0.043 -0.173 0.308 54 S C -2.197 172.398 174.600 -0.007 0.000 1.195 54 S CA -2.395 55.825 58.200 0.034 0.000 0.866 54 S CB 2.444 65.653 63.200 0.015 0.000 1.254 54 S HN 0.752 9.119 8.310 0.096 0.000 0.571 55 A N -0.521 122.251 122.820 -0.081 0.000 2.310 55 A HA 0.420 4.831 4.320 -0.099 -0.150 0.299 55 A C 0.514 177.974 177.584 -0.206 0.000 1.147 55 A CA -1.453 50.489 52.037 -0.158 0.000 0.818 55 A CB 1.226 20.036 19.000 -0.316 0.000 1.096 55 A HN 0.378 8.470 8.150 -0.096 0.000 0.495 56 A N 4.497 127.147 122.820 -0.283 0.000 2.015 56 A HA -0.220 3.958 4.320 -0.237 0.000 0.219 56 A C 1.305 178.688 177.584 -0.336 0.000 1.163 56 A CA 2.725 54.490 52.037 -0.453 0.000 0.646 56 A CB -0.307 18.027 19.000 -1.110 0.000 0.806 56 A HN 0.577 8.612 8.150 -0.264 -0.043 0.448 57 H N -4.670 114.279 119.070 -0.201 0.000 2.563 57 H HA -0.068 4.546 4.556 0.098 0.000 0.272 57 H C 0.073 175.463 175.328 0.104 0.000 1.005 57 H CA 1.397 57.470 56.048 0.043 0.000 1.171 57 H CB -1.407 28.437 29.762 0.135 0.000 1.351 57 H HN -0.006 8.431 8.280 -0.162 -0.254 0.602 58 c N -1.526 116.998 118.600 -0.127 0.000 2.697 58 c HA 0.023 4.682 4.570 0.148 0.000 0.267 58 c C 0.390 174.575 174.090 0.158 0.000 1.278 58 c CA 0.052 56.413 56.329 0.054 0.000 1.708 58 c CB -1.573 40.929 42.510 -0.013 0.000 1.860 58 c HN -0.279 7.613 8.230 -0.224 0.203 0.589 59 Y N 2.739 123.046 120.300 0.011 0.000 2.717 59 Y HA -0.275 4.296 4.550 0.034 0.000 0.330 59 Y C -0.767 175.118 175.900 -0.024 0.000 1.217 59 Y CA 1.893 60.000 58.100 0.011 0.000 1.506 59 Y CB 0.418 38.873 38.460 -0.008 0.000 1.268 59 Y HN -0.415 7.773 8.280 0.161 0.189 0.561 60 K N 7.601 127.399 120.400 -1.003 0.000 2.555 60 K HA 0.219 4.001 4.320 -0.898 0.000 0.279 60 K C -1.904 174.217 176.600 -0.798 0.000 0.986 60 K CA -1.448 54.307 56.287 -0.887 0.000 0.880 60 K CB 3.402 35.499 32.500 -0.672 0.000 1.474 60 K HN 0.185 7.978 8.250 -0.762 0.000 0.433 61 S N 0.106 115.493 115.700 -0.522 0.000 2.525 61 S HA 0.079 4.434 4.470 -0.192 0.000 0.290 61 S C 0.882 175.364 174.600 -0.196 0.000 1.152 61 S CA -0.077 57.970 58.200 -0.255 0.000 1.072 61 S CB 0.419 63.539 63.200 -0.134 0.000 1.027 61 S HN 0.103 8.134 8.310 -0.466 0.000 0.500 62 G N 3.832 112.559 108.800 -0.121 0.000 2.370 62 G HA2 -0.341 3.573 3.960 -0.076 0.000 0.268 62 G HA3 -0.341 3.547 3.960 -0.120 0.000 0.268 62 G C -2.064 172.774 174.900 -0.103 0.000 1.122 62 G CA -0.193 44.843 45.100 -0.105 0.000 0.963 62 G HN 0.361 8.601 8.290 -0.084 0.000 0.500 63 I N -0.918 119.615 120.570 -0.062 0.000 2.392 63 I HA 0.124 4.299 4.170 0.009 0.000 0.295 63 I C -2.083 174.014 176.117 -0.034 0.000 0.985 63 I CA -1.199 60.095 61.300 -0.011 0.000 1.221 63 I CB 1.746 39.777 38.000 0.052 0.000 1.366 63 I HN -0.477 7.701 8.210 -0.054 0.000 0.467 64 Q N 5.930 125.698 119.800 -0.052 0.000 2.333 64 Q HA 0.463 4.870 4.340 -0.052 -0.098 0.267 64 Q C -1.715 174.231 176.000 -0.089 0.000 1.012 64 Q CA -1.412 54.345 55.803 -0.077 0.000 0.824 64 Q CB 3.896 32.558 28.738 -0.126 0.000 1.290 64 Q HN 0.460 8.703 8.270 -0.045 0.000 0.449 65 V N 7.068 126.952 119.914 -0.051 0.000 2.439 65 V HA 0.224 4.420 4.120 -0.067 -0.116 0.282 65 V C -1.309 174.791 176.094 0.011 0.000 1.039 65 V CA 0.005 62.285 62.300 -0.033 0.000 0.913 65 V CB 1.059 32.879 31.823 -0.006 0.000 0.983 65 V HN 1.095 9.162 8.190 -0.030 0.105 0.460 66 R N 6.415 126.916 120.500 0.001 0.000 2.409 66 R HA 0.698 5.421 4.340 0.315 -0.194 0.313 66 R C -0.813 175.569 176.300 0.136 0.000 0.953 66 R CA -1.408 54.764 56.100 0.118 0.000 0.849 66 R CB 1.605 31.852 30.300 -0.089 0.000 1.171 66 R HN 0.756 9.002 8.270 -0.040 0.000 0.458 70 E N -0.670 119.632 120.200 0.171 0.000 2.283 70 E HA 0.250 4.689 4.350 0.149 0.000 0.267 70 E C -2.028 174.754 176.600 0.303 0.000 1.045 70 E CA -0.377 56.148 56.400 0.210 0.000 0.884 70 E CB 1.895 31.683 29.700 0.146 0.000 1.106 70 E HN -0.420 8.030 8.360 0.196 0.027 0.408 71 D N 0.659 121.221 120.400 0.270 0.000 2.912 71 D HA 0.046 4.878 4.640 0.321 0.000 0.170 71 D C -1.072 175.432 176.300 0.340 0.000 1.484 71 D CA 0.759 54.923 54.000 0.275 0.000 1.542 71 D CB 2.396 43.275 40.800 0.133 0.000 1.344 71 D HN 0.069 8.553 8.370 0.189 0.000 0.222 72 N N 1.367 120.174 118.700 0.178 0.000 2.405 72 N HA 0.171 5.158 4.740 0.173 -0.143 0.260 72 N C 2.101 177.619 175.510 0.014 0.000 1.152 72 N CA -0.122 53.000 53.050 0.120 0.000 0.948 72 N CB 0.483 39.015 38.487 0.075 0.000 1.111 72 N HN -0.371 8.385 8.380 0.132 -0.297 0.485 73 I N 0.038 120.523 120.570 -0.142 0.000 3.564 73 I HA -0.029 4.160 4.170 -0.249 -0.168 0.294 73 I C -0.398 175.621 176.117 -0.164 0.000 1.289 73 I CA 0.929 62.044 61.300 -0.308 0.000 1.325 73 I CB -0.852 36.685 38.000 -0.771 0.000 1.039 73 I HN 0.700 8.833 8.210 -0.129 0.000 0.474 74 N N -1.707 116.947 118.700 -0.076 0.000 2.205 74 N HA 0.169 4.880 4.740 -0.050 0.000 0.201 74 N C -1.138 174.373 175.510 0.002 0.000 1.128 74 N CA -0.214 52.814 53.050 -0.035 0.000 0.867 74 N CB 2.142 40.619 38.487 -0.016 0.000 0.996 74 N HN 0.033 8.690 8.380 -0.050 -0.307 0.503 75 V N 0.299 120.223 119.914 0.017 0.000 2.623 75 V HA 0.052 4.192 4.120 0.034 0.000 0.304 75 V C -1.376 174.750 176.094 0.054 0.000 1.054 75 V CA -0.948 61.373 62.300 0.035 0.000 0.882 75 V CB 3.274 35.116 31.823 0.031 0.000 1.002 75 V HN -0.821 7.372 8.190 0.007 0.001 0.424 76 V N 7.943 127.893 119.914 0.060 0.000 2.397 76 V HA -0.241 4.144 4.120 0.081 -0.216 0.262 76 V C 0.376 176.480 176.094 0.016 0.000 1.047 76 V CA 0.951 63.282 62.300 0.051 0.000 1.003 76 V CB -0.516 31.332 31.823 0.041 0.000 1.037 76 V HN 0.352 8.575 8.190 0.055 0.000 0.480 77 E N 9.087 129.296 120.200 0.015 0.000 2.479 77 E HA 0.027 4.383 4.350 0.010 0.000 0.193 77 E C 0.517 177.111 176.600 -0.010 0.000 1.049 77 E CA -0.052 56.354 56.400 0.009 0.000 0.870 77 E CB 0.219 29.934 29.700 0.024 0.000 0.944 77 E HN 0.356 9.139 8.360 0.025 -0.408 0.492 78 G N -1.360 107.419 108.800 -0.036 0.000 2.238 78 G HA2 -0.365 3.555 3.960 -0.067 0.000 0.217 78 G HA3 -0.365 3.574 3.960 -0.034 0.000 0.217 78 G C 0.048 174.911 174.900 -0.062 0.000 0.996 78 G CA 0.421 45.491 45.100 -0.051 0.000 0.632 78 G HN 0.017 8.410 8.290 -0.047 -0.131 0.503 79 N N 0.239 118.910 118.700 -0.048 0.000 2.235 79 N HA 0.067 4.778 4.740 -0.049 0.000 0.209 79 N C -1.557 173.914 175.510 -0.065 0.000 1.122 79 N CA -0.635 52.389 53.050 -0.044 0.000 0.845 79 N CB 0.673 39.154 38.487 -0.010 0.000 1.004 79 N HN 0.332 8.640 8.380 -0.031 0.054 0.499 80 E N -0.359 119.760 120.200 -0.135 0.000 2.318 80 E HA 0.262 4.792 4.350 -0.061 -0.216 0.265 80 E C -0.246 176.161 176.600 -0.321 0.000 1.069 80 E CA -0.352 55.924 56.400 -0.207 0.000 0.893 80 E CB 0.967 30.438 29.700 -0.382 0.000 1.076 80 E HN -0.488 7.709 8.360 -0.155 0.071 0.414 81 Q N 0.663 120.343 119.800 -0.201 0.000 2.274 81 Q HA 0.306 4.500 4.340 -0.242 0.000 0.268 81 Q C -1.365 174.692 176.000 0.094 0.000 1.015 81 Q CA -1.069 54.654 55.803 -0.133 0.000 0.775 81 Q CB 3.057 31.778 28.738 -0.028 0.000 1.256 81 Q HN 0.197 8.445 8.270 -0.036 0.000 0.442 82 F N 3.814 123.747 119.950 -0.029 0.000 2.375 82 F HA 0.830 5.520 4.527 -0.042 -0.187 0.361 82 F C 0.115 175.892 175.800 -0.037 0.000 1.117 82 F CA -1.656 56.322 58.000 -0.038 0.000 1.037 82 F CB 1.692 40.668 39.000 -0.041 0.000 1.192 82 F HN 0.291 8.552 8.300 -0.065 0.000 0.452 83 I N 4.743 125.395 120.570 0.137 0.000 2.545 83 I HA 0.321 4.520 4.170 0.048 0.000 0.292 83 I C -1.027 175.096 176.117 0.010 0.000 1.040 83 I CA -1.264 60.066 61.300 0.050 0.000 1.068 83 I CB 3.924 41.937 38.000 0.021 0.000 1.251 83 I HN 0.973 9.262 8.210 0.133 0.000 0.424 84 S N 6.363 122.058 115.700 -0.008 0.000 2.603 84 S HA 0.162 4.722 4.470 -0.032 -0.109 0.268 84 S C -0.778 173.794 174.600 -0.048 0.000 1.317 84 S CA 0.615 58.798 58.200 -0.029 0.000 1.012 84 S CB 0.998 64.180 63.200 -0.029 0.000 0.926 84 S HN 0.475 8.783 8.310 -0.003 0.000 0.539 85 A N 1.611 124.401 122.820 -0.050 0.000 2.327 85 A HA 0.441 4.837 4.320 -0.099 -0.136 0.283 85 A C -0.298 177.244 177.584 -0.071 0.000 1.127 85 A CA -0.970 51.026 52.037 -0.069 0.000 0.810 85 A CB 0.984 19.959 19.000 -0.041 0.000 1.066 85 A HN -0.236 7.889 8.150 -0.041 0.000 0.492 86 S N 1.930 117.566 115.700 -0.107 0.000 2.483 86 S HA 0.084 4.518 4.470 -0.060 0.000 0.221 86 S C 0.281 174.845 174.600 -0.059 0.000 1.030 86 S CA 1.226 59.374 58.200 -0.086 0.000 0.925 86 S CB 1.240 64.369 63.200 -0.117 0.000 0.795 86 S HN 0.747 8.851 8.310 -0.158 0.111 0.511 87 K N -0.173 120.185 120.400 -0.070 0.000 2.625 87 K HA 0.250 4.588 4.320 0.031 0.000 0.284 87 K C -2.540 174.084 176.600 0.040 0.000 0.984 87 K CA -0.134 56.154 56.287 0.001 0.000 0.865 87 K CB 2.528 35.039 32.500 0.018 0.000 1.468 87 K HN -0.780 7.399 8.250 -0.120 0.000 0.407 88 S N 0.987 116.757 115.700 0.117 0.000 2.526 88 S HA 0.878 5.628 4.470 0.180 -0.172 0.293 88 S C -0.701 174.005 174.600 0.177 0.000 1.092 88 S CA -0.552 57.755 58.200 0.179 0.000 0.980 88 S CB 2.708 66.066 63.200 0.264 0.000 1.048 88 S HN 0.192 8.573 8.310 0.118 0.000 0.483 89 I N 7.222 127.917 120.570 0.209 0.000 2.476 89 I HA 0.186 4.443 4.170 0.144 0.000 0.281 89 I C -1.655 174.604 176.117 0.238 0.000 1.040 89 I CA -0.399 61.025 61.300 0.205 0.000 1.094 89 I CB 2.491 40.629 38.000 0.231 0.000 1.219 89 I HN 0.916 9.270 8.210 0.240 0.000 0.450 90 V N 7.277 127.261 119.914 0.116 0.000 2.686 90 V HA -0.116 4.052 4.120 0.080 0.000 0.295 90 V C -0.438 175.719 176.094 0.105 0.000 1.057 90 V CA -0.822 61.511 62.300 0.056 0.000 1.012 90 V CB 1.020 32.782 31.823 -0.102 0.000 1.006 90 V HN 0.251 8.464 8.190 0.039 0.000 0.477 91 H N 7.666 126.670 119.070 -0.111 0.000 3.034 91 H HA -0.063 4.118 4.556 -0.625 0.000 0.324 91 H C 0.039 175.261 175.328 -0.176 0.000 1.015 91 H CA 0.334 56.129 56.048 -0.421 0.000 1.429 91 H CB 1.751 31.123 29.762 -0.650 0.000 1.429 91 H HN -0.117 8.169 8.280 0.011 0.000 0.585 92 P HA -0.131 4.255 4.420 -0.058 0.000 0.218 92 P C -0.254 177.050 177.300 0.007 0.000 1.146 92 P CA 1.751 64.753 63.100 -0.164 0.000 0.813 92 P CB 0.320 31.893 31.700 -0.213 0.000 0.778 93 S N -2.730 113.080 115.700 0.183 0.000 2.575 93 S HA 0.028 4.549 4.470 0.085 0.000 0.237 93 S C -1.038 173.665 174.600 0.171 0.000 0.975 93 S CA -0.241 58.069 58.200 0.184 0.000 0.960 93 S CB 0.703 64.017 63.200 0.190 0.000 0.822 93 S HN -0.480 8.004 8.310 0.354 0.039 0.472 94 Y N 3.906 124.245 120.300 0.066 0.000 2.526 94 Y HA -0.252 4.486 4.550 -0.038 -0.211 0.330 94 Y C -0.832 175.061 175.900 -0.012 0.000 1.156 94 Y CA 0.753 58.850 58.100 -0.004 0.000 1.419 94 Y CB 0.885 39.342 38.460 -0.005 0.000 1.250 94 Y HN -0.711 7.683 8.280 0.307 0.070 0.540 95 N N 7.856 126.186 118.700 -0.617 0.000 2.518 95 N HA 0.210 4.692 4.740 -0.430 0.000 0.254 95 N C 0.151 175.129 175.510 -0.888 0.000 0.979 95 N CA -1.561 51.153 53.050 -0.560 0.000 0.930 95 N CB 0.931 39.248 38.487 -0.283 0.000 1.152 95 N HN -0.262 7.846 8.380 -0.454 0.000 0.505 96 S N 6.376 121.561 115.700 -0.858 0.000 2.474 96 S HA -0.153 3.888 4.470 -0.715 0.000 0.235 96 S C 1.047 175.467 174.600 -0.301 0.000 0.997 96 S CA 2.651 60.513 58.200 -0.563 0.000 0.949 96 S CB -0.223 62.854 63.200 -0.205 0.000 0.766 96 S HN 0.721 8.645 8.310 -0.643 0.000 0.517 97 N N 1.532 120.062 118.700 -0.284 0.000 2.251 97 N HA -0.050 4.577 4.740 -0.187 0.000 0.181 97 N C 1.036 176.392 175.510 -0.256 0.000 1.019 97 N CA 2.375 55.295 53.050 -0.216 0.000 0.862 97 N CB 0.678 39.064 38.487 -0.168 0.000 0.992 97 N HN 0.246 8.640 8.380 -0.313 -0.202 0.429 98 T N -4.000 110.393 114.554 -0.268 0.000 3.014 98 T HA 0.062 4.219 4.350 -0.323 0.000 0.250 98 T C 0.136 174.644 174.700 -0.320 0.000 1.060 98 T CA 0.088 62.020 62.100 -0.280 0.000 1.040 98 T CB 1.441 70.200 68.868 -0.183 0.000 0.971 98 T HN -0.457 7.880 8.240 -0.273 -0.260 0.497 99 L N -3.900 117.164 121.223 -0.266 0.000 4.351 99 L HA -0.485 3.919 4.340 0.002 -0.063 0.410 99 L C -1.887 175.017 176.870 0.057 0.000 1.150 99 L CA 0.511 55.302 54.840 -0.082 0.000 0.961 99 L CB -2.630 39.331 42.059 -0.162 0.000 2.130 99 L HN -0.041 8.000 8.230 -0.315 0.000 0.787 100 N N -0.831 117.853 118.700 -0.028 0.000 2.518 100 N HA -0.147 4.651 4.740 0.097 0.000 0.266 100 N C 0.018 175.586 175.510 0.096 0.000 1.196 100 N CA 0.671 53.748 53.050 0.045 0.000 0.947 100 N CB 1.119 39.602 38.487 -0.006 0.000 1.098 100 N HN -0.784 7.473 8.380 -0.132 0.044 0.450 101 N N -0.907 117.849 118.700 0.094 0.000 2.756 101 N HA -0.470 4.233 4.740 -0.061 0.000 0.248 101 N C -1.346 174.151 175.510 -0.022 0.000 1.062 101 N CA 1.350 54.362 53.050 -0.064 0.000 0.696 101 N CB -1.572 36.776 38.487 -0.233 0.000 0.946 101 N HN 0.634 9.090 8.380 0.127 0.000 0.548 102 D N -0.773 119.663 120.400 0.059 0.000 2.551 102 D HA 0.061 4.676 4.640 -0.042 0.000 0.223 102 D C -2.072 174.138 176.300 -0.150 0.000 1.144 102 D CA -0.279 53.741 54.000 0.034 0.000 1.025 102 D CB -0.734 40.202 40.800 0.227 0.000 1.085 102 D HN -0.058 8.364 8.370 0.086 0.000 0.506 103 I N 1.578 121.985 120.570 -0.271 0.000 2.827 103 I HA 0.633 4.888 4.170 -0.125 -0.160 0.298 103 I C -3.100 172.971 176.117 -0.078 0.000 1.235 103 I CA -1.572 59.605 61.300 -0.204 0.000 1.021 103 I CB 4.044 41.806 38.000 -0.397 0.000 1.259 103 I HN -0.135 7.853 8.210 -0.300 0.042 0.427 104 M N 6.127 125.763 119.600 0.059 0.000 2.470 104 M HA 0.687 5.479 4.480 0.273 -0.148 0.285 104 M C -2.871 173.565 176.300 0.226 0.000 1.213 104 M CA -0.943 54.460 55.300 0.172 0.000 0.901 104 M CB 4.905 37.545 32.600 0.067 0.000 1.718 104 M HN 0.454 8.774 8.290 0.049 0.000 0.469 105 L N 2.778 124.166 121.223 0.275 0.000 2.334 105 L HA 0.885 5.556 4.340 0.248 -0.182 0.276 105 L C -1.428 175.642 176.870 0.332 0.000 1.014 105 L CA -1.457 53.550 54.840 0.278 0.000 0.815 105 L CB 3.501 45.662 42.059 0.169 0.000 1.268 105 L HN 0.536 8.955 8.230 0.315 0.000 0.428 106 I N 1.073 121.833 120.570 0.317 0.000 2.466 106 I HA 0.509 4.911 4.170 0.123 -0.158 0.289 106 I C -1.747 174.322 176.117 -0.080 0.000 1.026 106 I CA -1.268 60.113 61.300 0.136 0.000 1.078 106 I CB 3.120 41.169 38.000 0.083 0.000 1.249 106 I HN 0.899 9.318 8.210 0.347 0.000 0.429 107 K N 6.597 126.738 120.400 -0.432 0.000 2.159 107 K HA 0.706 4.396 4.320 -1.326 -0.166 0.266 107 K C -1.127 175.183 176.600 -0.485 0.000 0.975 107 K CA -2.014 53.663 56.287 -1.016 0.000 0.865 107 K CB 3.285 34.945 32.500 -1.400 0.000 1.087 107 K HN 0.674 8.768 8.250 -0.260 0.000 0.446 108 L N 4.754 125.719 121.223 -0.431 0.000 2.399 108 L HA 0.122 4.480 4.340 -0.166 -0.117 0.266 108 L C 0.956 177.704 176.870 -0.203 0.000 1.114 108 L CA -0.061 54.645 54.840 -0.225 0.000 0.804 108 L CB 0.681 42.649 42.059 -0.152 0.000 1.146 108 L HN 0.613 8.505 8.230 -0.563 0.000 0.451 109 K N 1.254 121.578 120.400 -0.127 0.000 2.217 109 K HA -0.239 4.014 4.320 -0.111 0.000 0.202 109 K C -0.287 176.265 176.600 -0.080 0.000 1.051 109 K CA 2.289 58.518 56.287 -0.097 0.000 0.952 109 K CB 0.505 32.968 32.500 -0.062 0.000 0.736 109 K HN 0.425 8.614 8.250 -0.101 0.000 0.453 110 S N -4.343 111.314 115.700 -0.071 0.000 2.595 110 S HA 0.125 4.565 4.470 -0.050 0.000 0.281 110 S C -1.719 172.849 174.600 -0.053 0.000 1.117 110 S CA -0.979 57.191 58.200 -0.051 0.000 0.873 110 S CB 2.100 65.281 63.200 -0.031 0.000 1.108 110 S HN -0.711 7.531 8.310 -0.073 0.023 0.477 111 A N 1.307 124.105 122.820 -0.037 0.000 2.340 111 A HA 0.119 4.550 4.320 -0.039 -0.135 0.268 111 A C -0.691 176.886 177.584 -0.012 0.000 1.100 111 A CA -0.363 51.659 52.037 -0.025 0.000 0.803 111 A CB 1.075 20.070 19.000 -0.009 0.000 1.043 111 A HN 0.207 8.339 8.150 -0.030 0.000 0.488 112 A N 1.754 124.573 122.820 -0.001 0.000 2.332 112 A HA 0.152 4.557 4.320 0.003 -0.083 0.258 112 A C -0.350 177.240 177.584 0.011 0.000 1.087 112 A CA -0.899 51.143 52.037 0.009 0.000 0.802 112 A CB 1.000 20.015 19.000 0.024 0.000 1.042 112 A HN 0.277 8.321 8.150 -0.000 0.106 0.489 113 S N 0.848 116.552 115.700 0.008 0.000 2.410 113 S HA 0.125 4.601 4.470 0.009 0.000 0.304 113 S C -1.017 173.592 174.600 0.015 0.000 1.095 113 S CA -0.639 57.565 58.200 0.007 0.000 1.089 113 S CB 0.048 63.246 63.200 -0.003 0.000 0.968 113 S HN 0.021 8.681 8.310 0.004 -0.347 0.480 114 L N 6.815 128.052 121.223 0.022 0.000 2.349 114 L HA 0.018 4.504 4.340 0.035 -0.125 0.275 114 L C -0.304 176.580 176.870 0.024 0.000 1.115 114 L CA -0.003 54.855 54.840 0.030 0.000 0.820 114 L CB 0.175 42.257 42.059 0.038 0.000 1.135 114 L HN 0.308 8.551 8.230 0.022 0.000 0.445 115 N N 3.930 122.645 118.700 0.025 0.000 3.522 115 N HA 0.218 4.969 4.740 0.018 0.000 0.328 115 N C -0.544 174.980 175.510 0.024 0.000 1.623 115 N CA -0.662 52.399 53.050 0.019 0.000 0.812 115 N CB 0.896 39.389 38.487 0.010 0.000 2.008 115 N HN 0.486 8.775 8.380 0.031 0.110 0.601 116 S N -1.366 114.346 115.700 0.019 0.000 2.419 116 S HA -0.264 4.222 4.470 0.026 0.000 0.233 116 S C 0.589 175.201 174.600 0.021 0.000 1.016 116 S CA 2.760 60.973 58.200 0.021 0.000 0.974 116 S CB -0.237 62.972 63.200 0.015 0.000 0.786 116 S HN 0.270 8.589 8.310 0.014 0.000 0.492 117 R N -2.243 118.267 120.500 0.017 0.000 2.280 117 R HA 0.050 4.397 4.340 0.011 0.000 0.195 117 R C -1.382 174.931 176.300 0.021 0.000 0.935 117 R CA 0.393 56.501 56.100 0.015 0.000 1.033 117 R CB 1.252 31.559 30.300 0.011 0.000 0.964 117 R HN -0.073 8.488 8.270 0.015 -0.283 0.489 118 V N -1.093 118.839 119.914 0.030 0.000 2.447 118 V HA 0.287 4.627 4.120 0.048 -0.192 0.292 118 V C -2.078 174.052 176.094 0.060 0.000 1.021 118 V CA -1.176 61.151 62.300 0.045 0.000 0.850 118 V CB 2.534 34.380 31.823 0.038 0.000 1.005 118 V HN -0.581 7.701 8.190 0.028 -0.075 0.426 119 A N 6.989 129.862 122.820 0.088 0.000 2.566 119 A HA 0.614 4.983 4.320 0.083 0.000 0.292 119 A C -2.804 174.870 177.584 0.150 0.000 1.112 119 A CA -1.540 50.560 52.037 0.106 0.000 0.707 119 A CB 2.931 21.996 19.000 0.108 0.000 1.302 119 A HN 0.043 8.136 8.150 0.096 0.115 0.409 120 S N -1.406 114.368 115.700 0.123 0.000 2.687 120 S HA 0.599 5.301 4.470 0.158 -0.137 0.283 120 S C -0.747 173.904 174.600 0.086 0.000 1.170 120 S CA -0.839 57.434 58.200 0.121 0.000 1.008 120 S CB 1.971 65.222 63.200 0.084 0.000 1.026 120 S HN 0.039 8.406 8.310 0.095 0.000 0.541 121 I N 0.759 121.337 120.570 0.013 0.000 2.562 121 I HA 0.267 4.357 4.170 -0.134 0.000 0.301 121 I C -1.541 174.525 176.117 -0.084 0.000 1.003 121 I CA -1.671 59.539 61.300 -0.150 0.000 1.127 121 I CB 4.074 41.791 38.000 -0.472 0.000 1.304 121 I HN 0.183 8.418 8.210 0.041 0.000 0.446 122 S N 6.430 122.078 115.700 -0.087 0.000 2.584 122 S HA 0.256 4.709 4.470 -0.029 0.000 0.273 122 S C -0.746 173.825 174.600 -0.049 0.000 1.311 122 S CA -0.427 57.743 58.200 -0.049 0.000 1.034 122 S CB 0.815 63.991 63.200 -0.039 0.000 0.939 122 S HN 0.164 8.408 8.310 -0.111 0.000 0.513 123 L N 2.508 123.717 121.223 -0.024 0.000 2.418 123 L HA 0.175 4.513 4.340 -0.003 0.000 0.265 123 L C -1.040 175.825 176.870 -0.009 0.000 1.143 123 L CA -2.047 52.790 54.840 -0.006 0.000 0.809 123 L CB 0.146 42.210 42.059 0.007 0.000 1.124 123 L HN 0.249 8.468 8.230 -0.019 0.000 0.456 124 P HA 0.099 4.506 4.420 -0.021 0.000 0.274 124 P C -1.078 176.219 177.300 -0.006 0.000 1.237 124 P CA -0.404 62.690 63.100 -0.010 0.000 0.793 124 P CB 0.435 32.129 31.700 -0.010 0.000 0.977 128 c N 1.301 119.869 118.600 -0.053 0.000 2.459 128 c HA 0.141 4.660 4.570 -0.085 0.000 0.374 128 c C 0.186 174.210 174.090 -0.110 0.000 1.241 128 c CA -0.085 56.194 56.329 -0.085 0.000 2.352 128 c CB 0.274 42.734 42.510 -0.082 0.000 2.490 128 c HN -0.042 8.160 8.230 -0.046 0.000 0.583 129 A N 2.674 125.394 122.820 -0.166 0.000 2.304 129 A HA 0.013 4.264 4.320 -0.116 0.000 0.271 129 A C -0.854 176.631 177.584 -0.167 0.000 1.091 129 A CA -0.120 51.819 52.037 -0.163 0.000 0.812 129 A CB 0.901 19.780 19.000 -0.200 0.000 1.056 129 A HN 0.108 8.131 8.150 -0.212 0.000 0.489 133 G N 0.383 109.150 108.800 -0.056 0.000 2.284 133 G HA2 -0.285 3.650 3.960 -0.042 0.000 0.230 133 G HA3 -0.285 3.653 3.960 -0.037 0.000 0.230 133 G C -0.120 174.750 174.900 -0.049 0.000 1.021 133 G CA 0.005 45.078 45.100 -0.046 0.000 0.619 133 G HN 0.719 8.853 8.290 -0.060 0.121 0.510 134 T N 4.183 118.698 114.554 -0.065 0.000 2.928 134 T HA -0.147 4.175 4.350 -0.047 0.000 0.305 134 T C -0.717 173.949 174.700 -0.056 0.000 1.035 134 T CA 2.312 64.375 62.100 -0.062 0.000 1.145 134 T CB 0.419 69.235 68.868 -0.087 0.000 0.963 134 T HN -0.540 7.569 8.240 -0.079 0.084 0.545 135 Q N 4.464 124.244 119.800 -0.034 0.000 2.243 135 Q HA 0.109 4.549 4.340 -0.027 -0.117 0.252 135 Q C -0.884 175.106 176.000 -0.018 0.000 0.909 135 Q CA 0.160 55.953 55.803 -0.018 0.000 0.922 135 Q CB 1.471 30.215 28.738 0.010 0.000 1.215 135 Q HN 0.214 8.468 8.270 -0.027 0.000 0.427 136 c N 0.929 119.519 118.600 -0.017 0.000 2.913 136 c HA 0.679 5.370 4.570 -0.010 -0.127 0.322 136 c C -1.597 172.501 174.090 0.013 0.000 1.292 136 c CA -1.327 54.993 56.329 -0.015 0.000 1.649 136 c CB 4.136 46.619 42.510 -0.045 0.000 2.139 136 c HN 0.848 8.952 8.230 -0.019 0.115 0.475 137 L N 0.726 121.964 121.223 0.025 0.000 2.333 137 L HA 0.901 5.461 4.340 0.052 -0.188 0.280 137 L C -2.265 174.621 176.870 0.026 0.000 1.004 137 L CA -1.423 53.445 54.840 0.047 0.000 0.820 137 L CB 3.364 45.475 42.059 0.086 0.000 1.247 137 L HN 0.726 8.857 8.230 0.020 0.111 0.416 138 I N 7.492 128.060 120.570 -0.002 0.000 2.474 138 I HA 0.866 5.277 4.170 0.014 -0.232 0.294 138 I C -1.454 174.631 176.117 -0.052 0.000 1.005 138 I CA -1.543 59.751 61.300 -0.009 0.000 1.113 138 I CB 2.715 40.708 38.000 -0.010 0.000 1.289 138 I HN 0.961 9.169 8.210 -0.003 0.000 0.436 139 S N 2.661 118.326 115.700 -0.058 0.000 2.588 139 S HA 0.992 5.490 4.470 -0.213 -0.156 0.275 139 S C -1.249 173.238 174.600 -0.188 0.000 1.130 139 S CA -1.737 56.356 58.200 -0.178 0.000 0.855 139 S CB 3.778 66.833 63.200 -0.242 0.000 1.116 139 S HN -0.195 8.112 8.310 -0.004 0.000 0.472 140 G N -1.223 107.380 108.800 -0.330 0.000 2.316 140 G HA2 0.159 3.882 3.960 -0.395 0.000 0.296 140 G HA3 0.159 4.216 3.960 -0.049 -0.127 0.296 140 G C -2.205 172.495 174.900 -0.333 0.000 1.399 140 G CA 0.578 45.510 45.100 -0.280 0.000 0.833 140 G HN 0.345 8.388 8.290 -0.412 0.000 0.565 141 W N 1.276 122.556 121.300 -0.034 0.000 3.151 141 W HA 0.386 5.012 4.660 -0.057 0.000 0.424 141 W C -0.196 176.382 176.519 0.098 0.000 1.012 141 W CA -0.921 56.380 57.345 -0.073 0.000 2.018 141 W CB -0.049 29.195 29.460 -0.360 0.000 1.087 141 W HN 0.587 8.952 8.180 0.307 0.000 0.740 142 G N 0.752 109.716 108.800 0.272 0.000 2.621 142 G HA2 -0.042 4.249 3.960 0.535 0.000 0.271 142 G HA3 -0.042 4.233 3.960 0.230 -0.178 0.271 142 G C -0.932 173.967 174.900 -0.002 0.000 1.236 142 G CA -0.841 44.428 45.100 0.283 0.000 0.958 142 G HN -0.389 8.130 8.290 0.165 -0.129 0.512 143 N N -0.342 118.176 118.700 -0.304 0.000 2.353 143 N HA -0.294 3.975 4.740 -1.112 -0.196 0.248 143 N C 0.763 176.117 175.510 -0.260 0.000 1.240 143 N CA 1.200 53.856 53.050 -0.657 0.000 0.862 143 N CB 0.615 38.763 38.487 -0.565 0.000 1.086 143 N HN -0.012 8.319 8.380 -0.081 0.000 0.453 144 T N -0.397 114.022 114.554 -0.225 0.000 3.129 144 T HA 0.183 4.597 4.350 -0.081 -0.113 0.267 144 T C -0.018 174.636 174.700 -0.076 0.000 1.018 144 T CA 0.127 62.163 62.100 -0.106 0.000 0.903 144 T CB 1.234 70.060 68.868 -0.071 0.000 1.067 144 T HN 0.372 8.438 8.240 -0.291 0.000 0.549 145 K N 1.548 121.894 120.400 -0.089 0.000 2.259 145 K HA 0.383 4.684 4.320 -0.033 0.000 0.249 145 K C -0.290 176.290 176.600 -0.033 0.000 0.942 145 K CA -2.006 54.252 56.287 -0.048 0.000 0.816 145 K CB 2.498 34.971 32.500 -0.045 0.000 1.155 145 K HN -0.643 7.724 8.250 -0.138 -0.199 0.428 146 S N 1.203 116.896 115.700 -0.012 0.000 2.404 146 S HA -0.131 4.341 4.470 0.004 0.000 0.223 146 S C 0.083 174.687 174.600 0.006 0.000 1.040 146 S CA 1.567 59.769 58.200 0.003 0.000 0.957 146 S CB 0.596 63.803 63.200 0.012 0.000 0.826 146 S HN 0.245 8.549 8.310 -0.009 0.000 0.491 147 S N 1.612 117.314 115.700 0.004 0.000 2.577 147 S HA 0.115 4.594 4.470 0.014 0.000 0.294 147 S C -0.961 173.642 174.600 0.004 0.000 1.161 147 S CA -0.121 58.084 58.200 0.009 0.000 1.143 147 S CB -0.139 63.067 63.200 0.010 0.000 0.991 147 S HN -0.470 7.841 8.310 0.000 0.000 0.475 148 G N 3.977 112.780 108.800 0.005 0.000 2.359 148 G HA2 -0.165 3.804 3.960 0.016 0.000 0.303 148 G HA3 -0.165 3.795 3.960 0.001 0.000 0.303 148 G C -2.653 172.244 174.900 -0.005 0.000 1.293 148 G CA -0.395 44.708 45.100 0.005 0.000 0.964 148 G HN -0.203 8.093 8.290 0.010 0.000 0.531 149 T N -0.284 114.272 114.554 0.004 0.000 2.949 149 T HA 0.170 4.645 4.350 -0.089 -0.178 0.300 149 T C -1.666 173.032 174.700 -0.005 0.000 0.988 149 T CA -0.086 62.013 62.100 -0.002 0.000 0.993 149 T CB 2.003 70.936 68.868 0.110 0.000 0.984 149 T HN -0.113 8.137 8.240 0.016 0.000 0.442 150 S N 5.948 121.574 115.700 -0.124 0.000 2.750 150 S HA 0.232 4.735 4.470 0.054 0.000 0.276 150 S C -2.262 172.240 174.600 -0.164 0.000 1.165 150 S CA -0.262 57.909 58.200 -0.049 0.000 1.047 150 S CB 1.281 64.455 63.200 -0.043 0.000 1.056 150 S HN 0.526 9.019 8.310 -0.301 -0.364 0.481 151 Y N 5.881 126.215 120.300 0.055 0.000 2.331 151 Y HA 0.247 4.847 4.550 0.083 0.000 0.338 151 Y C -1.089 174.855 175.900 0.072 0.000 0.992 151 Y CA -2.812 55.333 58.100 0.074 0.000 1.121 151 Y CB 1.215 39.725 38.460 0.083 0.000 1.184 151 Y HN 0.138 8.586 8.280 0.279 0.000 0.469 152 P HA 0.349 4.841 4.420 0.121 0.000 0.276 152 P C -1.658 175.771 177.300 0.214 0.000 1.252 152 P CA -0.618 62.576 63.100 0.157 0.000 0.802 152 P CB 2.043 33.804 31.700 0.101 0.000 1.035 153 D N -1.725 118.781 120.400 0.177 0.000 2.388 153 D HA -0.047 4.666 4.640 0.122 0.000 0.208 153 D C -1.498 174.969 176.300 0.279 0.000 1.035 153 D CA 0.908 55.005 54.000 0.162 0.000 0.875 153 D CB 1.030 41.882 40.800 0.087 0.000 0.984 153 D HN 0.428 8.881 8.370 0.138 0.000 0.508 154 V N -6.758 113.317 119.914 0.269 0.000 2.850 154 V HA 0.594 5.087 4.120 0.404 -0.131 0.315 154 V C -0.803 175.342 176.094 0.084 0.000 1.064 154 V CA -2.560 59.898 62.300 0.262 0.000 0.979 154 V CB 2.257 34.150 31.823 0.116 0.000 1.039 154 V HN -1.016 7.287 8.190 0.188 0.000 0.452 155 L N 2.499 123.629 121.223 -0.154 0.000 2.453 155 L HA -0.035 3.533 4.340 -1.287 0.000 0.272 155 L C -0.648 175.974 176.870 -0.412 0.000 1.182 155 L CA 0.735 55.155 54.840 -0.700 0.000 0.858 155 L CB 0.601 42.224 42.059 -0.727 0.000 1.120 155 L HN -0.224 8.205 8.230 0.051 -0.168 0.474 156 K N 5.324 125.458 120.400 -0.443 0.000 2.203 156 K HA 0.687 4.973 4.320 -0.325 -0.161 0.251 156 K C -1.158 175.190 176.600 -0.420 0.000 0.944 156 K CA -2.525 53.554 56.287 -0.346 0.000 0.829 156 K CB 2.473 34.835 32.500 -0.231 0.000 1.125 156 K HN -0.186 7.728 8.250 -0.560 0.000 0.430 157 c N 0.077 118.323 118.600 -0.589 0.000 2.667 157 c HA 0.983 5.484 4.570 -0.401 -0.171 0.323 157 c C -1.740 171.980 174.090 -0.618 0.000 1.214 157 c CA -0.828 55.104 56.329 -0.662 0.000 1.721 157 c CB 3.563 45.516 42.510 -0.929 0.000 2.275 157 c HN 0.759 8.565 8.230 -0.707 0.000 0.491 158 L N 0.589 121.657 121.223 -0.258 0.000 2.526 158 L HA 0.431 4.812 4.340 0.068 0.000 0.263 158 L C -2.665 174.264 176.870 0.097 0.000 0.943 158 L CA 0.275 55.110 54.840 -0.009 0.000 0.859 158 L CB 4.408 46.477 42.059 0.016 0.000 1.313 158 L HN 0.671 8.785 8.230 -0.193 0.000 0.406 159 K N 6.482 127.001 120.400 0.197 0.000 2.235 159 K HA 0.980 5.620 4.320 0.113 -0.252 0.266 159 K C -1.472 175.244 176.600 0.193 0.000 0.980 159 K CA -1.175 55.211 56.287 0.165 0.000 0.849 159 K CB 1.649 34.253 32.500 0.173 0.000 1.098 159 K HN 0.236 8.640 8.250 0.256 0.000 0.445 160 A N 2.783 125.661 122.820 0.095 0.000 2.549 160 A HA 0.642 4.995 4.320 0.056 0.000 0.297 160 A C -3.214 174.316 177.584 -0.091 0.000 1.061 160 A CA -2.934 49.102 52.037 -0.002 0.000 0.690 160 A CB 2.937 21.915 19.000 -0.038 0.000 1.287 160 A HN 0.554 8.732 8.150 0.047 0.000 0.402 161 P HA 0.744 5.314 4.420 -0.081 -0.199 0.285 161 P C -1.139 176.093 177.300 -0.113 0.000 1.269 161 P CA -1.544 61.480 63.100 -0.126 0.000 0.844 161 P CB 1.750 33.378 31.700 -0.119 0.000 1.094 162 I N -0.552 119.974 120.570 -0.072 0.000 2.529 162 I HA -0.034 4.286 4.170 0.069 -0.109 0.284 162 I C 0.195 176.299 176.117 -0.021 0.000 1.082 162 I CA 0.437 61.726 61.300 -0.019 0.000 1.406 162 I CB 0.329 38.259 38.000 -0.118 0.000 1.405 162 I HN -0.068 8.093 8.210 -0.081 0.000 0.548 163 L N 6.596 127.837 121.223 0.030 0.000 2.416 163 L HA 0.257 4.586 4.340 -0.018 0.000 0.262 163 L C -0.390 176.499 176.870 0.032 0.000 1.093 163 L CA -0.922 53.926 54.840 0.014 0.000 0.801 163 L CB 0.548 42.622 42.059 0.026 0.000 1.191 163 L HN 0.388 8.572 8.230 0.101 0.107 0.459 164 S N -0.260 115.451 115.700 0.018 0.000 2.584 164 S HA -0.047 4.430 4.470 0.012 0.000 0.270 164 S C 0.623 175.250 174.600 0.044 0.000 1.346 164 S CA -0.681 57.532 58.200 0.020 0.000 1.018 164 S CB 1.114 64.320 63.200 0.011 0.000 0.899 164 S HN 0.113 8.428 8.310 0.009 0.000 0.542 165 D N 2.563 122.991 120.400 0.046 0.000 2.178 165 D HA -0.229 4.462 4.640 0.086 0.000 0.202 165 D C 1.994 178.328 176.300 0.056 0.000 0.974 165 D CA 3.760 57.798 54.000 0.064 0.000 0.841 165 D CB -0.233 40.602 40.800 0.058 0.000 0.953 165 D HN 0.558 8.947 8.370 0.032 0.000 0.478 166 S N -0.427 115.296 115.700 0.040 0.000 2.370 166 S HA -0.358 4.134 4.470 0.038 0.000 0.226 166 S C 1.848 176.468 174.600 0.034 0.000 1.033 166 S CA 3.173 61.394 58.200 0.034 0.000 1.011 166 S CB -0.106 63.107 63.200 0.022 0.000 0.852 166 S HN 0.146 8.464 8.310 0.032 0.012 0.457 167 S N 2.552 118.270 115.700 0.030 0.000 2.406 167 S HA -0.117 4.361 4.470 0.012 0.000 0.228 167 S C 1.775 176.397 174.600 0.036 0.000 1.020 167 S CA 2.917 61.130 58.200 0.022 0.000 0.965 167 S CB -0.198 63.012 63.200 0.015 0.000 0.798 167 S HN -0.602 7.725 8.310 0.029 0.000 0.488 168 c N 3.923 122.563 118.600 0.066 0.000 2.432 168 c HA -0.268 4.378 4.570 0.128 0.000 0.277 168 c C 2.123 176.303 174.090 0.151 0.000 1.249 168 c CA 3.200 59.599 56.329 0.117 0.000 1.725 168 c CB -1.939 40.643 42.510 0.119 0.000 2.028 168 c HN -0.273 7.904 8.230 0.063 0.090 0.477 169 K N -1.057 119.412 120.400 0.114 0.000 2.148 169 K HA -0.312 4.107 4.320 0.166 0.000 0.204 169 K C 2.241 178.892 176.600 0.085 0.000 1.050 169 K CA 3.172 59.529 56.287 0.117 0.000 0.942 169 K CB -0.031 32.521 32.500 0.086 0.000 0.724 169 K HN 0.306 8.611 8.250 0.092 0.000 0.446 170 S N -0.891 114.835 115.700 0.044 0.000 2.406 170 S HA -0.230 4.252 4.470 0.021 0.000 0.228 170 S C 0.950 175.530 174.600 -0.034 0.000 1.020 170 S CA 2.859 61.066 58.200 0.011 0.000 0.965 170 S CB 0.005 63.206 63.200 0.001 0.000 0.798 170 S HN -0.334 8.001 8.310 0.041 0.000 0.488 171 A N -0.290 122.483 122.820 -0.078 0.000 1.929 171 A HA -0.079 4.091 4.320 -0.250 0.000 0.216 171 A C -0.758 176.569 177.584 -0.429 0.000 1.176 171 A CA 1.812 53.672 52.037 -0.296 0.000 0.628 171 A CB 0.840 19.597 19.000 -0.405 0.000 0.816 171 A HN -0.625 7.410 8.150 -0.026 0.099 0.444 172 Y N -4.920 115.417 120.300 0.062 0.000 2.658 172 Y HA 0.458 5.083 4.550 0.126 0.000 0.362 172 Y C -2.545 173.419 175.900 0.107 0.000 1.017 172 Y CA -3.069 55.103 58.100 0.120 0.000 1.134 172 Y CB 0.114 38.692 38.460 0.197 0.000 1.144 172 Y HN -0.397 7.873 8.280 0.119 0.080 0.655 173 P HA 0.021 4.612 4.420 0.112 -0.104 0.268 173 P C 0.781 178.151 177.300 0.117 0.000 1.204 173 P CA 0.659 63.829 63.100 0.117 0.000 0.768 173 P CB 0.310 32.050 31.700 0.068 0.000 0.842 174 G N 3.458 112.315 108.800 0.095 0.000 2.180 174 G HA2 -0.376 3.620 3.960 0.059 0.000 0.263 174 G HA3 -0.376 3.615 3.960 0.052 0.000 0.263 174 G C 0.087 175.033 174.900 0.077 0.000 0.989 174 G CA 0.980 46.122 45.100 0.070 0.000 0.692 174 G HN 0.548 8.892 8.290 0.089 0.000 0.526 175 Q N -2.411 117.470 119.800 0.135 0.000 2.245 175 Q HA 0.085 4.456 4.340 0.051 0.000 0.236 175 Q C -0.413 175.708 176.000 0.203 0.000 0.842 175 Q CA -0.232 55.655 55.803 0.140 0.000 0.945 175 Q CB 1.622 30.482 28.738 0.204 0.000 1.122 175 Q HN -0.490 7.817 8.270 0.176 0.068 0.506 176 I N 0.154 120.843 120.570 0.198 0.000 2.331 176 I HA 0.030 4.335 4.170 0.225 0.000 0.292 176 I C -0.019 176.171 176.117 0.122 0.000 0.998 176 I CA -2.048 59.360 61.300 0.179 0.000 1.267 176 I CB -0.741 37.354 38.000 0.159 0.000 1.386 176 I HN -0.574 7.744 8.210 0.181 0.000 0.476 177 T N 2.426 117.050 114.554 0.117 0.000 2.922 177 T HA 0.373 4.763 4.350 0.067 0.000 0.281 177 T C 0.813 175.563 174.700 0.083 0.000 1.005 177 T CA -2.136 60.013 62.100 0.082 0.000 0.982 177 T CB 2.472 71.381 68.868 0.068 0.000 1.158 177 T HN -0.377 7.948 8.240 0.142 0.000 0.566 178 S N -1.920 113.815 115.700 0.058 0.000 2.547 178 S HA -0.241 4.265 4.470 0.060 0.000 0.235 178 S C 0.263 174.900 174.600 0.063 0.000 0.980 178 S CA 2.125 60.355 58.200 0.050 0.000 0.941 178 S CB -0.220 62.991 63.200 0.018 0.000 0.763 178 S HN 0.276 8.611 8.310 0.043 0.000 0.532 179 N N 0.137 118.887 118.700 0.083 0.000 2.276 179 N HA 0.168 4.965 4.740 0.095 0.000 0.212 179 N C -1.666 173.964 175.510 0.201 0.000 1.127 179 N CA -0.424 52.705 53.050 0.132 0.000 0.834 179 N CB 0.817 39.402 38.487 0.164 0.000 1.014 179 N HN -0.661 7.697 8.380 0.081 0.071 0.491 180 M N -1.296 118.409 119.600 0.175 0.000 2.593 180 M HA 0.793 5.547 4.480 0.118 -0.204 0.290 180 M C -2.247 174.177 176.300 0.207 0.000 1.244 180 M CA -0.323 55.060 55.300 0.139 0.000 0.857 180 M CB 5.105 37.754 32.600 0.083 0.000 1.738 180 M HN -0.729 7.570 8.290 0.152 0.082 0.461 181 F N -5.683 114.305 119.950 0.064 0.000 2.668 181 F HA 0.626 5.178 4.527 0.041 0.000 0.309 181 F C -2.674 173.174 175.800 0.080 0.000 1.117 181 F CA -2.110 55.925 58.000 0.059 0.000 0.951 181 F CB 2.242 41.276 39.000 0.056 0.000 1.323 181 F HN 0.126 8.308 8.300 -0.197 0.000 0.451 182 c N -0.204 118.546 118.600 0.249 0.000 2.435 182 c HA 1.001 5.802 4.570 0.067 -0.191 0.333 182 c C -1.121 173.136 174.090 0.278 0.000 1.202 182 c CA -1.124 55.303 56.329 0.162 0.000 1.830 182 c CB 2.941 45.514 42.510 0.106 0.000 2.326 182 c HN 0.858 9.281 8.230 0.321 0.000 0.507 183 A N 2.867 125.832 122.820 0.242 0.000 2.446 183 A HA 0.675 5.168 4.320 0.053 -0.140 0.282 183 A C -2.217 175.394 177.584 0.045 0.000 1.102 183 A CA -0.662 51.426 52.037 0.084 0.000 0.737 183 A CB 2.768 21.692 19.000 -0.127 0.000 1.212 183 A HN 0.514 8.862 8.150 0.331 0.000 0.434 184 Y N 2.972 123.303 120.300 0.050 0.000 2.404 184 Y HA 0.059 4.652 4.550 0.031 -0.024 0.344 184 Y C 1.116 177.032 175.900 0.026 0.000 0.995 184 Y CA -0.247 57.874 58.100 0.034 0.000 1.201 184 Y CB 0.375 38.852 38.460 0.029 0.000 1.151 184 Y HN 0.401 8.756 8.280 0.125 0.000 0.517 185 L N 4.114 125.401 121.223 0.106 0.000 2.362 185 L HA -0.335 4.031 4.340 0.043 0.000 0.219 185 L C 0.787 177.700 176.870 0.072 0.000 1.134 185 L CA 2.290 57.166 54.840 0.061 0.000 0.807 185 L CB -0.476 41.602 42.059 0.030 0.000 0.927 185 L HN 0.586 8.863 8.230 0.079 0.000 0.447 186 E N -2.827 117.439 120.200 0.110 0.000 2.481 186 E HA -0.057 4.322 4.350 0.049 0.000 0.195 186 E C 0.816 177.457 176.600 0.068 0.000 1.047 186 E CA -0.203 56.241 56.400 0.074 0.000 0.867 186 E CB -0.685 29.055 29.700 0.067 0.000 0.858 186 E HN 0.083 8.488 8.360 0.164 0.053 0.513 187 G N 1.044 109.905 108.800 0.102 0.000 3.399 187 G HA2 -0.416 3.670 3.960 0.100 0.000 0.685 187 G HA3 -0.416 3.632 3.960 0.054 -0.055 0.685 187 G C -0.707 174.231 174.900 0.064 0.000 0.952 187 G CA -0.094 45.055 45.100 0.082 0.000 0.793 187 G HN -0.313 7.875 8.290 0.144 0.188 0.492 188 K N 2.319 122.751 120.400 0.052 0.000 6.677 188 K HA -0.598 3.997 4.320 0.054 -0.242 0.638 188 K C -1.106 175.602 176.600 0.180 0.000 2.505 188 K CA 1.091 57.435 56.287 0.094 0.000 1.869 188 K CB 0.171 32.703 32.500 0.052 0.000 1.896 188 K HN 0.282 8.588 8.250 0.094 0.000 0.278 189 D N 0.167 120.646 120.400 0.132 0.000 2.808 189 D HA 0.234 4.981 4.640 0.178 0.000 0.294 189 D C -1.985 174.379 176.300 0.106 0.000 1.278 189 D CA -0.525 53.558 54.000 0.138 0.000 0.756 189 D CB 3.611 44.478 40.800 0.112 0.000 1.271 189 D HN 0.053 8.479 8.370 0.093 0.000 0.425 190 S N -1.569 114.206 115.700 0.126 0.000 2.707 190 S HA 0.312 4.904 4.470 0.084 -0.072 0.276 190 S C -1.426 173.213 174.600 0.065 0.000 1.179 190 S CA -0.411 57.853 58.200 0.107 0.000 0.992 190 S CB 1.712 65.016 63.200 0.174 0.000 1.030 190 S HN 0.246 8.650 8.310 0.157 0.000 0.554 191 c N -1.247 117.394 118.600 0.068 0.000 3.314 191 c HA 0.293 4.896 4.570 0.055 0.000 0.344 191 c C -1.287 172.870 174.090 0.112 0.000 1.461 191 c CA -0.762 55.606 56.329 0.064 0.000 1.249 191 c CB 2.956 45.483 42.510 0.027 0.000 1.632 191 c HN 0.258 8.786 8.230 0.085 -0.247 0.452 192 Q N 1.149 121.027 119.800 0.131 0.000 2.395 192 Q HA -0.190 4.272 4.340 0.203 0.000 0.271 192 Q C 0.725 176.908 176.000 0.305 0.000 1.026 192 Q CA 1.058 56.986 55.803 0.208 0.000 0.900 192 Q CB -0.151 28.715 28.738 0.213 0.000 1.266 192 Q HN 0.525 8.856 8.270 0.103 0.000 0.430 193 G N 3.428 112.427 108.800 0.331 0.000 2.254 193 G HA2 -0.424 3.754 3.960 0.363 0.000 0.225 193 G HA3 -0.424 3.892 3.960 0.594 0.000 0.225 193 G C 0.446 175.583 174.900 0.396 0.000 1.003 193 G CA 0.995 46.353 45.100 0.430 0.000 0.622 193 G HN 0.842 9.303 8.290 0.285 0.000 0.507 194 D N 1.399 121.967 120.400 0.280 0.000 2.346 194 D HA 0.113 4.901 4.640 0.247 0.000 0.206 194 D C 0.126 176.539 176.300 0.189 0.000 1.001 194 D CA 0.714 54.845 54.000 0.218 0.000 0.871 194 D CB 0.328 41.218 40.800 0.150 0.000 0.943 194 D HN -0.096 8.308 8.370 0.249 0.116 0.518 195 S N -0.696 115.126 115.700 0.202 0.000 2.643 195 S HA -0.558 4.175 4.470 0.230 -0.125 0.310 195 S C 1.201 175.837 174.600 0.059 0.000 1.253 195 S CA 2.948 61.262 58.200 0.191 0.000 1.047 195 S CB 0.065 63.451 63.200 0.309 0.000 0.767 195 S HN -0.359 8.044 8.310 0.231 0.046 0.498 196 G N 4.263 113.077 108.800 0.022 0.000 2.234 196 G HA2 -0.471 3.538 3.960 -0.023 0.000 0.260 196 G HA3 -0.471 3.568 3.960 -0.053 -0.111 0.260 196 G C -0.276 174.665 174.900 0.069 0.000 0.987 196 G CA 0.347 45.444 45.100 -0.005 0.000 0.625 196 G HN 0.834 9.069 8.290 0.071 0.097 0.532 197 G N 1.025 109.890 108.800 0.109 0.000 2.634 197 G HA2 0.233 4.271 3.960 0.130 0.000 0.255 197 G HA3 0.233 4.269 3.960 0.126 0.000 0.255 197 G C -2.515 172.470 174.900 0.143 0.000 1.205 197 G CA -1.875 43.303 45.100 0.129 0.000 0.884 197 G HN -0.339 7.921 8.290 0.117 0.099 0.549 198 P HA 0.286 4.919 4.420 0.137 -0.131 0.277 198 P C -1.502 175.868 177.300 0.116 0.000 1.240 198 P CA -0.707 62.488 63.100 0.158 0.000 0.798 198 P CB 1.411 33.265 31.700 0.258 0.000 0.979 199 V N 1.846 121.806 119.914 0.077 0.000 2.419 199 V HA 0.340 4.634 4.120 -0.014 -0.183 0.287 199 V C -1.251 174.857 176.094 0.022 0.000 1.017 199 V CA -0.463 61.841 62.300 0.007 0.000 0.844 199 V CB 1.848 33.637 31.823 -0.056 0.000 1.011 199 V HN -0.261 7.980 8.190 0.085 0.000 0.429 200 V N 7.999 127.918 119.914 0.009 0.000 2.417 200 V HA 0.688 4.969 4.120 -0.059 -0.196 0.291 200 V C -1.286 174.794 176.094 -0.024 0.000 1.024 200 V CA -1.308 60.970 62.300 -0.036 0.000 0.861 200 V CB 2.926 34.703 31.823 -0.076 0.000 0.985 200 V HN 0.753 8.962 8.190 0.030 0.000 0.436 201 c N 6.471 125.045 118.600 -0.044 0.000 2.482 201 c HA 0.595 5.148 4.570 -0.028 0.000 0.317 201 c C 0.590 174.652 174.090 -0.046 0.000 1.197 201 c CA -1.621 54.681 56.329 -0.045 0.000 1.432 201 c CB 2.022 44.489 42.510 -0.073 0.000 2.062 201 c HN 0.669 8.866 8.230 -0.056 0.000 0.471 202 S N 4.713 120.395 115.700 -0.031 0.000 3.581 202 S HA -0.361 4.099 4.470 -0.017 0.000 0.354 202 S C 0.040 174.621 174.600 -0.030 0.000 1.059 202 S CA 1.158 59.341 58.200 -0.028 0.000 1.060 202 S CB -0.990 62.189 63.200 -0.034 0.000 0.908 202 S HN 1.179 9.476 8.310 -0.022 0.000 0.475 203 G N -5.031 103.749 108.800 -0.033 0.000 2.179 203 G HA2 -0.356 3.579 3.960 -0.042 0.000 0.260 203 G HA3 -0.356 3.585 3.960 -0.032 0.000 0.260 203 G C -1.090 173.762 174.900 -0.081 0.000 0.977 203 G CA 0.195 45.268 45.100 -0.046 0.000 0.641 203 G HN 0.251 8.506 8.290 -0.027 0.019 0.533 210 Q N 1.259 121.082 119.800 0.038 0.000 2.392 210 Q HA 0.189 4.566 4.340 0.061 0.000 0.219 210 Q C -0.198 175.971 176.000 0.282 0.000 0.895 210 Q CA 0.245 56.095 55.803 0.078 0.000 0.929 210 Q CB 2.609 31.318 28.738 -0.048 0.000 1.077 210 Q HN 0.435 8.717 8.270 0.021 0.000 0.532 211 G N -3.308 105.666 108.800 0.290 0.000 2.708 211 G HA2 0.578 5.012 3.960 0.405 0.000 0.289 211 G HA3 0.578 4.776 3.960 0.397 0.000 0.289 211 G C -3.235 171.787 174.900 0.203 0.000 1.416 211 G CA -0.602 44.705 45.100 0.346 0.000 0.829 211 G HN -0.283 8.113 8.290 0.177 0.000 0.480 212 I N -1.633 119.056 120.570 0.199 0.000 2.533 212 I HA 0.531 5.015 4.170 0.169 -0.212 0.290 212 I C -0.513 175.735 176.117 0.219 0.000 1.056 212 I CA -1.363 60.041 61.300 0.173 0.000 1.057 212 I CB 4.383 42.445 38.000 0.104 0.000 1.240 212 I HN -0.449 7.947 8.210 0.184 -0.076 0.423 213 V N 7.118 127.171 119.914 0.233 0.000 2.475 213 V HA -0.241 3.895 4.120 0.026 0.000 0.292 213 V C -1.167 174.968 176.094 0.070 0.000 1.003 213 V CA 2.192 64.572 62.300 0.133 0.000 1.120 213 V CB -1.031 30.893 31.823 0.169 0.000 0.937 213 V HN 0.465 8.782 8.190 0.210 0.000 0.476 214 S N 7.546 123.181 115.700 -0.108 0.000 3.142 214 S HA 0.453 5.158 4.470 0.392 0.000 0.223 214 S C -1.090 173.574 174.600 0.106 0.000 0.939 214 S CA 1.031 59.303 58.200 0.120 0.000 0.826 214 S CB 2.006 65.259 63.200 0.087 0.000 0.823 214 S HN -0.065 7.964 8.310 -0.468 0.000 0.612 215 W N -4.151 116.972 121.300 -0.296 0.000 2.874 215 W HA 0.264 4.791 4.660 -0.223 0.000 0.403 215 W C -2.846 173.492 176.519 -0.301 0.000 1.144 215 W CA -0.518 56.662 57.345 -0.275 0.000 1.175 215 W CB 1.096 30.394 29.460 -0.270 0.000 1.483 215 W HN -0.010 7.821 8.180 -0.583 0.000 0.591 216 G N -3.083 105.769 108.800 0.086 0.000 2.356 216 G HA2 0.135 3.831 3.960 -0.440 0.000 0.294 216 G HA3 0.135 4.035 3.960 -0.100 0.000 0.294 216 G C -2.351 172.699 174.900 0.251 0.000 1.423 216 G CA 0.217 45.278 45.100 -0.065 0.000 0.806 216 G HN -0.048 8.483 8.290 0.402 0.000 0.527 220 c N 1.662 120.295 118.600 0.056 0.000 3.465 220 c HA 0.303 5.046 4.570 0.055 -0.140 0.193 220 c C -1.357 172.761 174.090 0.046 0.000 1.515 220 c CA -1.214 55.144 56.329 0.049 0.000 1.340 220 c CB -1.358 41.173 42.510 0.035 0.000 1.928 220 c HN 0.323 8.582 8.230 0.049 0.000 0.510 221 Q N -1.905 117.925 119.800 0.049 0.000 2.920 221 Q HA 0.086 4.444 4.340 0.030 0.000 0.255 221 Q C -1.493 174.526 176.000 0.031 0.000 0.976 221 Q CA -0.657 55.167 55.803 0.036 0.000 0.862 221 Q CB 2.324 31.082 28.738 0.034 0.000 1.952 221 Q HN -0.054 8.250 8.270 0.057 0.000 0.489 222 K N 4.050 124.463 120.400 0.020 0.000 2.401 222 K HA -0.274 4.257 4.320 0.030 -0.193 0.278 222 K C -0.029 176.566 176.600 -0.009 0.000 1.018 222 K CA 0.862 57.158 56.287 0.015 0.000 0.981 222 K CB 0.203 32.710 32.500 0.011 0.000 0.933 222 K HN 0.264 8.525 8.250 0.018 0.000 0.477 223 N N 2.626 121.318 118.700 -0.014 0.000 2.713 223 N HA -0.465 4.247 4.740 -0.045 0.000 0.251 223 N C -1.628 173.804 175.510 -0.130 0.000 1.117 223 N CA 2.003 55.017 53.050 -0.059 0.000 0.770 223 N CB -0.683 37.764 38.487 -0.066 0.000 1.137 223 N HN 0.851 9.113 8.380 0.008 0.122 0.566 224 K N -1.548 118.805 120.400 -0.079 0.000 2.842 224 K HA 0.540 4.665 4.320 -0.325 0.000 0.176 224 K C -2.394 174.239 176.600 0.055 0.000 1.080 224 K CA -3.731 52.502 56.287 -0.091 0.000 0.954 224 K CB 0.362 32.856 32.500 -0.010 0.000 1.203 224 K HN -0.745 7.435 8.250 -0.021 0.058 0.611 225 P HA -0.067 4.406 4.420 0.087 0.000 0.275 225 P C -0.887 176.452 177.300 0.065 0.000 1.270 225 P CA -0.466 62.688 63.100 0.091 0.000 0.791 225 P CB 1.176 32.921 31.700 0.074 0.000 1.089 226 G N -3.084 105.736 108.800 0.032 0.000 2.476 226 G HA2 0.257 4.023 3.960 -0.324 0.000 0.269 226 G HA3 0.257 4.109 3.960 -0.180 0.000 0.269 226 G C -1.534 173.055 174.900 -0.518 0.000 1.195 226 G CA -0.671 44.282 45.100 -0.245 0.000 0.843 226 G HN -0.433 7.933 8.290 0.126 0.000 0.545 227 V N 2.333 121.595 119.914 -1.085 0.000 2.448 227 V HA 0.572 4.429 4.120 -0.710 -0.162 0.295 227 V C -1.049 174.278 176.094 -1.279 0.000 1.025 227 V CA -0.888 60.725 62.300 -1.144 0.000 0.859 227 V CB 1.926 32.597 31.823 -1.920 0.000 0.988 227 V HN 0.415 7.935 8.190 -1.116 0.000 0.431 228 Y N 5.843 125.744 120.300 -0.664 0.000 2.485 228 Y HA 0.604 5.083 4.550 -0.364 -0.148 0.345 228 Y C 0.324 175.956 175.900 -0.448 0.000 0.998 228 Y CA -2.339 55.389 58.100 -0.620 0.000 1.059 228 Y CB 3.602 41.432 38.460 -1.051 0.000 1.234 228 Y HN 1.020 8.935 8.280 -0.608 0.000 0.461 229 T N 4.767 119.301 114.554 -0.033 0.000 2.901 229 T HA -0.024 4.541 4.350 0.126 -0.139 0.301 229 T C -0.587 174.269 174.700 0.261 0.000 1.012 229 T CA 1.673 63.838 62.100 0.109 0.000 1.135 229 T CB 0.507 69.422 68.868 0.078 0.000 0.936 229 T HN 0.353 8.600 8.240 0.010 0.000 0.539 230 K N 8.170 128.808 120.400 0.397 0.000 2.142 230 K HA 0.159 4.922 4.320 0.738 0.000 0.250 230 K C 0.863 177.726 176.600 0.438 0.000 1.148 230 K CA -0.958 55.633 56.287 0.506 0.000 1.040 230 K CB -0.451 32.286 32.500 0.396 0.000 1.569 230 K HN 0.124 8.495 8.250 0.362 0.096 0.361 231 V N 5.273 125.430 119.914 0.404 0.000 2.439 231 V HA -0.550 3.878 4.120 0.512 0.000 0.253 231 V C 1.398 177.658 176.094 0.276 0.000 1.074 231 V CA 3.771 66.293 62.300 0.369 0.000 1.076 231 V CB -0.306 31.658 31.823 0.235 0.000 0.664 231 V HN 0.128 8.567 8.190 0.414 0.000 0.461 232 c N -3.937 114.758 118.600 0.157 0.000 2.409 232 c HA -0.210 4.402 4.570 0.071 0.000 0.288 232 c C 1.583 175.689 174.090 0.026 0.000 1.395 232 c CA 1.464 57.834 56.329 0.069 0.000 1.792 232 c CB -2.159 40.358 42.510 0.012 0.000 1.847 232 c HN 0.458 8.759 8.230 0.153 0.021 0.534 233 N N 0.962 119.645 118.700 -0.029 0.000 2.463 233 N HA -0.070 4.571 4.740 -0.164 0.000 0.181 233 N C 0.240 175.523 175.510 -0.379 0.000 1.078 233 N CA 1.099 53.991 53.050 -0.263 0.000 0.902 233 N CB 0.048 38.237 38.487 -0.497 0.000 0.970 233 N HN -0.236 8.131 8.380 0.054 0.045 0.451 234 Y N -4.441 115.937 120.300 0.130 0.000 2.584 234 Y HA 0.179 4.885 4.550 0.261 0.000 0.254 234 Y C -0.015 176.026 175.900 0.235 0.000 1.177 234 Y CA -0.928 57.313 58.100 0.235 0.000 1.216 234 Y CB -0.437 38.201 38.460 0.296 0.000 1.172 234 Y HN -0.196 8.028 8.280 0.203 0.178 0.529 235 V N 0.774 120.825 119.914 0.228 0.000 2.343 235 V HA -0.534 3.673 4.120 0.145 0.000 0.247 235 V C 1.418 177.577 176.094 0.109 0.000 1.051 235 V CA 4.905 67.290 62.300 0.142 0.000 1.036 235 V CB -0.547 31.322 31.823 0.076 0.000 0.654 235 V HN -0.583 7.702 8.190 0.158 0.000 0.451 236 S N 0.181 115.951 115.700 0.117 0.000 2.368 236 S HA -0.329 4.161 4.470 0.034 0.000 0.225 236 S C 1.714 176.381 174.600 0.112 0.000 1.030 236 S CA 3.266 61.517 58.200 0.084 0.000 0.999 236 S CB -0.422 62.825 63.200 0.079 0.000 0.844 236 S HN -0.062 8.318 8.310 0.117 0.000 0.459 237 W N 3.712 125.049 121.300 0.061 0.000 2.355 237 W HA -0.216 4.459 4.660 0.025 0.000 0.309 237 W C 1.293 177.819 176.519 0.012 0.000 1.206 237 W CA 3.263 60.647 57.345 0.065 0.000 1.284 237 W CB -0.025 29.553 29.460 0.195 0.000 1.145 237 W HN -0.410 7.995 8.180 0.375 0.000 0.502 238 I N -0.771 119.755 120.570 -0.073 0.000 2.127 238 I HA -0.775 2.896 4.170 -0.833 0.000 0.241 238 I C 1.873 177.734 176.117 -0.426 0.000 1.075 238 I CA 4.577 65.638 61.300 -0.398 0.000 1.334 238 I CB -0.250 37.696 38.000 -0.091 0.000 1.040 238 I HN 0.342 8.717 8.210 0.275 0.000 0.405 239 K N -1.599 118.662 120.400 -0.231 0.000 2.032 239 K HA -0.506 3.666 4.320 -0.246 0.000 0.209 239 K C 2.535 178.986 176.600 -0.249 0.000 1.048 239 K CA 3.911 60.070 56.287 -0.214 0.000 0.927 239 K CB -0.428 32.008 32.500 -0.108 0.000 0.712 239 K HN -0.002 8.176 8.250 -0.120 0.000 0.441 240 Q N -1.335 118.331 119.800 -0.224 0.000 2.079 240 Q HA -0.301 3.950 4.340 -0.149 0.000 0.200 240 Q C 2.290 178.112 176.000 -0.296 0.000 0.974 240 Q CA 3.616 59.300 55.803 -0.199 0.000 0.840 240 Q CB -0.107 28.562 28.738 -0.114 0.000 0.898 240 Q HN 0.182 8.341 8.270 -0.185 0.000 0.430 241 T N 2.748 117.005 114.554 -0.495 0.000 2.737 241 T HA -0.295 3.826 4.350 -0.381 0.000 0.265 241 T C 2.661 177.018 174.700 -0.571 0.000 1.038 241 T CA 5.200 66.959 62.100 -0.569 0.000 1.144 241 T CB -0.253 68.021 68.868 -0.990 0.000 0.866 241 T HN 0.037 7.924 8.240 -0.587 0.000 0.434 242 I N 1.032 121.144 120.570 -0.762 0.000 2.315 242 I HA -0.403 2.942 4.170 -1.374 0.000 0.248 242 I C 1.563 177.449 176.117 -0.386 0.000 1.117 242 I CA 3.579 64.308 61.300 -0.953 0.000 1.404 242 I CB -0.381 36.941 38.000 -1.131 0.000 1.071 242 I HN 0.274 8.040 8.210 -0.740 0.000 0.419 243 A N -1.623 121.032 122.820 -0.275 0.000 2.121 243 A HA -0.148 4.123 4.320 -0.081 0.000 0.218 243 A C 0.338 177.880 177.584 -0.070 0.000 1.154 243 A CA 2.023 53.986 52.037 -0.124 0.000 0.679 243 A CB -0.274 18.662 19.000 -0.106 0.000 0.795 243 A HN -0.120 7.837 8.150 -0.321 0.000 0.458 244 S N -3.578 112.067 115.700 -0.092 0.000 2.568 244 S HA 0.153 4.614 4.470 -0.015 0.000 0.232 244 S C -1.007 173.604 174.600 0.017 0.000 0.975 244 S CA 0.408 58.586 58.200 -0.036 0.000 0.949 244 S CB 0.817 63.985 63.200 -0.053 0.000 0.829 244 S HN -0.523 7.525 8.310 -0.165 0.162 0.479 245 N N 0.000 118.743 118.700 0.072 0.000 1.763 245 N HA 0.000 4.823 4.740 0.138 0.000 0.220 245 N CA 0.000 53.174 53.050 0.207 0.000 0.885 245 N CB 0.000 38.661 38.487 0.290 0.000 1.341 245 N HN 0.000 8.245 8.380 0.042 0.160 0.667