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 3fi0_1_G DATA FIRST_RESID 2 DATA SEQUENCE KTIFSGIQXX XXITIGNYIG ALRQFVELQH EYNCYFCIVD QHAITVWQDP DATA SEQUENCE HELRQNIRRL AALYLAVGID PTQATLFIQS EVPAHAQAAW XLQCIVYIGE DATA SEQUENCE LERXTQXXXX XXXXXXVSAG LLTYPPLXAA DILLYNTDIV PVGEDQKQHI DATA SEQUENCE ELTRDLAERF NKRYGELFTI PEARIPKVGA RIXSLVDPTK KXSKSDPNPK DATA SEQUENCE AYITLLDDAK TIEKKIKSXX XXSEGTIRYX XXXXXGISNL LNIYSTLSGQ DATA SEQUENCE SIEELERQYE GKGYGVFKAD LAQVVIETLR PIQERYHHWX ESEELDRVLD DATA SEQUENCE EGAEKANRVA SEXVRKXEQA XGLGR 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 2 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 2 K C 0.000 176.774 176.600 0.290 0.000 0.988 2 K CA 0.000 56.429 56.287 0.237 0.000 0.838 2 K CB 0.000 32.718 32.500 0.364 0.000 1.064 3 T N 1.590 116.271 114.554 0.211 0.000 2.794 3 T HA 0.558 4.920 4.350 0.019 0.000 0.280 3 T C -0.450 174.321 174.700 0.119 0.000 0.987 3 T CA -0.453 61.763 62.100 0.193 0.000 0.993 3 T CB 0.567 69.566 68.868 0.219 0.000 0.939 3 T HN 0.276 8.516 8.240 -0.000 0.000 0.449 4 I N 3.223 123.822 120.570 0.049 0.000 2.406 4 I HA 0.489 4.671 4.170 0.019 0.000 0.290 4 I C -1.064 175.017 176.117 -0.060 0.000 0.999 4 I CA -0.759 60.482 61.300 -0.098 0.000 1.124 4 I CB 1.176 38.979 38.000 -0.329 0.000 1.289 4 I HN 0.541 8.751 8.210 -0.000 0.000 0.441 5 F N 6.323 126.195 119.950 -0.130 0.000 2.482 5 F HA 0.644 5.181 4.527 0.017 0.000 0.331 5 F C -0.294 175.423 175.800 -0.138 0.000 1.115 5 F CA -0.222 57.713 58.000 -0.107 0.000 0.955 5 F CB 1.668 40.661 39.000 -0.011 0.000 1.136 5 F HN 0.280 8.580 8.300 -0.000 0.000 0.452 6 S N 3.489 118.744 115.700 -0.741 0.000 2.672 6 S HA 0.690 5.171 4.470 0.019 0.000 0.291 6 S C -0.555 173.793 174.600 -0.419 0.000 1.145 6 S CA -0.474 57.522 58.200 -0.340 0.000 1.013 6 S CB 1.058 64.161 63.200 -0.162 0.000 1.017 6 S HN 1.056 9.366 8.310 -0.000 0.000 0.487 7 G N 4.371 113.132 108.800 -0.065 0.000 2.335 7 G HA2 0.569 4.541 3.960 0.019 0.000 0.314 7 G HA3 0.569 4.541 3.960 0.019 0.000 0.314 7 G C -0.436 174.434 174.900 -0.050 0.000 1.129 7 G CA -0.523 44.559 45.100 -0.030 0.000 0.912 7 G HN 0.665 8.955 8.290 -0.000 0.000 0.443 8 I N 1.796 122.288 120.570 -0.130 0.000 2.354 8 I HA 0.314 4.496 4.170 0.019 0.000 0.292 8 I C 0.196 176.241 176.117 -0.121 0.000 0.989 8 I CA -0.918 60.309 61.300 -0.121 0.000 1.188 8 I CB 1.256 39.110 38.000 -0.244 0.000 1.342 8 I HN 0.337 8.547 8.210 -0.000 0.000 0.457 15 T N 0.591 115.134 114.554 -0.018 0.000 2.824 15 T HA 0.544 4.906 4.350 0.019 0.000 0.277 15 T C 1.338 176.061 174.700 0.040 0.000 0.975 15 T CA -0.172 61.944 62.100 0.026 0.000 0.966 15 T CB 1.484 70.380 68.868 0.047 0.000 1.054 15 T HN 0.798 9.038 8.240 -0.000 0.000 0.533 16 I N -1.041 119.560 120.570 0.051 0.000 2.394 16 I HA 0.171 4.353 4.170 0.019 0.000 0.251 16 I C 2.463 178.638 176.117 0.096 0.000 1.136 16 I CA 1.201 62.554 61.300 0.087 0.000 1.425 16 I CB -1.215 36.818 38.000 0.054 0.000 1.079 16 I HN 0.733 8.943 8.210 -0.000 0.000 0.425 17 G N 1.494 110.327 108.800 0.056 0.000 2.469 17 G HA2 -0.314 3.658 3.960 0.019 0.000 0.220 17 G HA3 -0.314 3.658 3.960 0.019 0.000 0.220 17 G C 1.564 176.467 174.900 0.005 0.000 1.136 17 G CA 1.084 46.202 45.100 0.031 0.000 0.759 17 G HN 0.477 8.767 8.290 -0.000 0.000 0.562 18 N N -0.323 118.383 118.700 0.010 0.000 2.092 18 N HA -0.135 4.617 4.740 0.019 0.000 0.189 18 N C 2.007 177.487 175.510 -0.050 0.000 1.040 18 N CA 1.255 54.294 53.050 -0.019 0.000 0.845 18 N CB -0.327 38.160 38.487 -0.001 0.000 1.017 18 N HN 0.339 8.719 8.380 -0.000 0.000 0.426 19 Y N 1.862 122.087 120.300 -0.125 0.000 2.139 19 Y HA -0.164 4.400 4.550 0.023 0.000 0.282 19 Y C 2.267 178.078 175.900 -0.149 0.000 1.179 19 Y CA 1.600 59.606 58.100 -0.158 0.000 1.161 19 Y CB -0.388 37.998 38.460 -0.124 0.000 0.970 19 Y HN 0.114 8.394 8.280 -0.000 0.000 0.511 20 I N -0.582 119.913 120.570 -0.125 0.000 2.406 20 I HA -0.155 4.027 4.170 0.019 0.000 0.249 20 I C 2.569 178.564 176.117 -0.204 0.000 1.122 20 I CA 1.038 62.229 61.300 -0.183 0.000 1.431 20 I CB -0.863 37.123 38.000 -0.022 0.000 1.087 20 I HN 0.384 8.594 8.210 -0.000 0.000 0.424 21 G N 0.348 109.051 108.800 -0.163 0.000 2.464 21 G HA2 -0.087 3.885 3.960 0.019 0.000 0.214 21 G HA3 -0.087 3.885 3.960 0.019 0.000 0.214 21 G C 1.494 176.242 174.900 -0.253 0.000 1.218 21 G CA 1.005 46.013 45.100 -0.153 0.000 0.794 21 G HN 0.484 8.774 8.290 -0.000 0.000 0.542 22 A N -1.667 120.931 122.820 -0.371 0.000 2.141 22 A HA 0.516 4.847 4.320 0.019 0.000 0.196 22 A C 1.853 178.709 177.584 -1.214 0.000 1.502 22 A CA 0.440 52.100 52.037 -0.629 0.000 1.075 22 A CB -0.050 18.729 19.000 -0.368 0.000 1.217 22 A HN 0.275 8.425 8.150 -0.000 0.000 0.477 23 L N 0.448 121.221 121.223 -0.751 0.000 2.095 23 L HA 0.194 4.546 4.340 0.019 0.000 0.204 23 L C 2.275 178.796 176.870 -0.582 0.000 1.080 23 L CA 2.176 56.622 54.840 -0.657 0.000 0.759 23 L CB -0.529 41.305 42.059 -0.375 0.000 0.914 23 L HN 0.463 8.693 8.230 -0.000 0.000 0.439 24 R N -0.660 119.428 120.500 -0.688 0.000 2.115 24 R HA -0.136 4.215 4.340 0.019 0.000 0.226 24 R C 2.074 178.172 176.300 -0.337 0.000 1.100 24 R CA 1.476 57.153 56.100 -0.706 0.000 0.980 24 R CB -0.129 29.436 30.300 -1.225 0.000 0.875 24 R HN 0.661 8.931 8.270 -0.000 0.000 0.445 25 Q N -0.566 119.050 119.800 -0.308 0.000 2.302 25 Q HA -0.083 4.268 4.340 0.019 0.000 0.202 25 Q C 1.858 177.913 176.000 0.093 0.000 0.936 25 Q CA 0.716 56.456 55.803 -0.105 0.000 0.886 25 Q CB -0.472 28.204 28.738 -0.103 0.000 0.986 25 Q HN 0.409 8.679 8.270 -0.000 0.000 0.487 26 F N 1.423 121.347 119.950 -0.044 0.000 2.111 26 F HA -0.268 4.268 4.527 0.015 0.000 0.300 26 F C 2.288 178.078 175.800 -0.016 0.000 1.088 26 F CA 0.841 58.853 58.000 0.020 0.000 1.243 26 F CB -0.062 38.961 39.000 0.039 0.000 0.996 26 F HN -0.042 8.258 8.300 -0.000 0.000 0.483 27 V N 0.548 120.534 119.914 0.121 0.000 2.867 27 V HA -0.244 3.888 4.120 0.019 0.000 0.260 27 V C 1.681 177.799 176.094 0.039 0.000 1.099 27 V CA 2.268 64.590 62.300 0.036 0.000 1.122 27 V CB -0.676 31.162 31.823 0.025 0.000 0.708 27 V HN 0.485 8.675 8.190 -0.000 0.000 0.490 28 E N -1.184 119.074 120.200 0.096 0.000 2.413 28 E HA 0.090 4.452 4.350 0.019 0.000 0.203 28 E C 1.982 178.686 176.600 0.174 0.000 0.957 28 E CA 0.040 56.547 56.400 0.179 0.000 0.950 28 E CB -0.151 29.653 29.700 0.173 0.000 0.957 28 E HN 0.430 8.790 8.360 -0.000 0.000 0.497 29 L N 1.865 123.191 121.223 0.171 0.000 2.156 29 L HA -0.143 4.209 4.340 0.019 0.000 0.208 29 L C 2.708 179.691 176.870 0.188 0.000 1.095 29 L CA 1.522 56.515 54.840 0.255 0.000 0.770 29 L CB -0.464 41.768 42.059 0.289 0.000 0.914 29 L HN 0.271 8.501 8.230 -0.000 0.000 0.439 30 Q N -1.021 118.783 119.800 0.007 0.000 2.368 30 Q HA -0.222 4.130 4.340 0.019 0.000 0.210 30 Q C 1.617 177.536 176.000 -0.134 0.000 0.982 30 Q CA 1.398 57.154 55.803 -0.078 0.000 0.884 30 Q CB -0.338 28.334 28.738 -0.110 0.000 0.933 30 Q HN 0.584 8.854 8.270 -0.000 0.000 0.460 31 H N 0.401 119.529 119.070 0.098 0.000 2.431 31 H HA 0.073 4.640 4.556 0.018 0.000 0.295 31 H C 1.414 176.750 175.328 0.013 0.000 1.038 31 H CA 1.236 57.314 56.048 0.049 0.000 1.360 31 H CB 0.170 29.957 29.762 0.041 0.000 1.433 31 H HN 0.431 8.711 8.280 -0.000 0.000 0.536 32 E N -0.118 120.151 120.200 0.116 0.000 2.107 32 E HA -0.052 4.310 4.350 0.019 0.000 0.191 32 E C -0.325 176.095 176.600 -0.301 0.000 0.982 32 E CA 0.682 57.021 56.400 -0.101 0.000 0.809 32 E CB 0.367 30.007 29.700 -0.099 0.000 0.756 32 E HN 0.268 8.628 8.360 -0.000 0.000 0.459 33 Y N -0.747 119.567 120.300 0.022 0.000 2.630 33 Y HA 0.265 4.822 4.550 0.011 0.000 0.337 33 Y C -0.119 175.760 175.900 -0.034 0.000 1.051 33 Y CA -1.166 56.933 58.100 -0.002 0.000 1.121 33 Y CB 1.153 39.603 38.460 -0.016 0.000 1.299 33 Y HN -0.204 8.076 8.280 -0.000 0.000 0.498 34 N N 1.219 120.011 118.700 0.154 0.000 2.420 34 N HA 0.354 5.105 4.740 0.019 0.000 0.249 34 N C -1.672 173.811 175.510 -0.046 0.000 1.033 34 N CA -0.167 52.899 53.050 0.026 0.000 0.944 34 N CB 0.305 38.831 38.487 0.066 0.000 1.113 34 N HN 0.475 8.855 8.380 -0.000 0.000 0.502 35 C N 3.608 122.780 119.300 -0.214 0.000 2.411 35 C HA 0.463 4.934 4.460 0.019 0.000 0.330 35 C C -0.781 173.785 174.990 -0.706 0.000 1.224 35 C CA -0.656 58.108 59.018 -0.423 0.000 1.770 35 C CB -0.166 27.310 27.740 -0.439 0.000 2.297 35 C HN 0.634 8.864 8.230 -0.000 0.000 0.507 36 Y N 0.813 120.673 120.300 -0.733 0.000 2.364 36 Y HA 0.579 5.140 4.550 0.018 0.000 0.340 36 Y C -0.286 174.949 175.900 -1.108 0.000 0.975 36 Y CA -0.570 57.141 58.100 -0.648 0.000 1.089 36 Y CB 1.037 39.201 38.460 -0.494 0.000 1.192 36 Y HN 0.587 8.867 8.280 -0.000 0.000 0.454 37 F N 2.578 122.415 119.950 -0.189 0.000 2.564 37 F HA 0.328 4.866 4.527 0.018 0.000 0.368 37 F C -0.278 175.208 175.800 -0.523 0.000 1.127 37 F CA -0.781 57.015 58.000 -0.340 0.000 1.170 37 F CB 0.807 39.700 39.000 -0.178 0.000 1.397 37 F HN 0.398 8.698 8.300 -0.000 0.000 0.493 38 C N 5.391 124.290 119.300 -0.668 0.000 2.415 38 C HA 0.565 5.036 4.460 0.019 0.000 0.369 38 C C 0.530 175.194 174.990 -0.543 0.000 1.279 38 C CA -0.676 57.789 59.018 -0.922 0.000 1.886 38 C CB -0.776 26.551 27.740 -0.687 0.000 2.468 38 C HN 0.663 8.893 8.230 -0.000 0.000 0.553 39 I N 7.773 128.027 120.570 -0.527 0.000 2.269 39 I HA 0.119 4.301 4.170 0.019 0.000 0.293 39 I C 0.639 176.609 176.117 -0.245 0.000 1.106 39 I CA -0.171 60.929 61.300 -0.333 0.000 1.248 39 I CB 0.664 38.491 38.000 -0.289 0.000 1.444 39 I HN 0.620 8.830 8.210 -0.000 0.000 0.497 40 V N 3.118 122.944 119.914 -0.146 0.000 2.157 40 V HA 0.057 4.189 4.120 0.019 0.000 0.241 40 V C 1.057 177.135 176.094 -0.026 0.000 1.349 40 V CA -0.314 61.968 62.300 -0.029 0.000 1.319 40 V CB -0.461 31.467 31.823 0.174 0.000 1.421 40 V HN 0.769 8.959 8.190 -0.000 0.000 0.501 41 D N 2.227 122.579 120.400 -0.079 0.000 2.317 41 D HA -0.162 4.490 4.640 0.019 0.000 0.211 41 D C 1.593 177.856 176.300 -0.061 0.000 0.966 41 D CA 0.872 54.831 54.000 -0.068 0.000 0.876 41 D CB 0.098 40.851 40.800 -0.080 0.000 0.927 41 D HN 0.661 9.031 8.370 -0.000 0.000 0.519 42 Q N -0.750 119.000 119.800 -0.083 0.000 2.331 42 Q HA -0.020 4.332 4.340 0.019 0.000 0.203 42 Q C 1.402 177.325 176.000 -0.128 0.000 0.944 42 Q CA 0.645 56.379 55.803 -0.115 0.000 0.892 42 Q CB -0.050 28.596 28.738 -0.153 0.000 0.983 42 Q HN 0.546 8.816 8.270 -0.000 0.000 0.482 43 H N -0.410 118.635 119.070 -0.042 0.000 2.448 43 H HA 0.103 4.671 4.556 0.020 0.000 0.292 43 H C 1.946 177.219 175.328 -0.091 0.000 1.035 43 H CA 0.777 56.791 56.048 -0.057 0.000 1.349 43 H CB 0.307 30.027 29.762 -0.071 0.000 1.425 43 H HN 0.252 8.532 8.280 -0.000 0.000 0.539 44 A N 1.123 123.965 122.820 0.036 0.000 2.070 44 A HA -0.100 4.231 4.320 0.019 0.000 0.220 44 A C 1.947 179.516 177.584 -0.025 0.000 1.159 44 A CA 1.226 53.255 52.037 -0.013 0.000 0.656 44 A CB -0.814 18.169 19.000 -0.029 0.000 0.800 44 A HN 0.578 8.728 8.150 -0.000 0.000 0.453 45 I N -2.215 118.335 120.570 -0.033 0.000 3.749 45 I HA 0.054 4.235 4.170 0.019 0.000 0.314 45 I C 1.536 177.637 176.117 -0.027 0.000 1.267 45 I CA 0.952 62.222 61.300 -0.050 0.000 1.169 45 I CB -0.596 37.361 38.000 -0.073 0.000 1.009 45 I HN 0.150 8.360 8.210 -0.000 0.000 0.444 46 T N -0.632 113.917 114.554 -0.008 0.000 3.055 46 T HA 0.109 4.471 4.350 0.019 0.000 0.265 46 T C 0.816 175.530 174.700 0.024 0.000 1.111 46 T CA 0.538 62.646 62.100 0.013 0.000 1.118 46 T CB -0.627 68.237 68.868 -0.006 0.000 0.909 46 T HN 0.366 8.606 8.240 -0.000 0.000 0.501 47 V N -3.633 116.294 119.914 0.021 0.000 2.960 47 V HA 0.556 4.688 4.120 0.019 0.000 0.315 47 V C -0.353 175.806 176.094 0.108 0.000 1.087 47 V CA -2.153 60.191 62.300 0.073 0.000 0.982 47 V CB 1.571 33.428 31.823 0.056 0.000 1.039 47 V HN 0.399 8.589 8.190 -0.000 0.000 0.437 48 W N 3.167 124.463 121.300 -0.006 0.000 2.385 48 W HA 0.231 4.902 4.660 0.019 0.000 0.336 48 W C -0.669 175.846 176.519 -0.006 0.000 1.351 48 W CA 0.709 58.052 57.345 -0.003 0.000 1.295 48 W CB 0.608 30.068 29.460 0.001 0.000 1.239 48 W HN 0.752 8.932 8.180 -0.000 0.000 0.565 49 Q N 3.840 123.553 119.800 -0.144 0.000 2.397 49 Q HA 0.119 4.470 4.340 0.019 0.000 0.275 49 Q C -1.275 174.683 176.000 -0.070 0.000 1.090 49 Q CA -0.774 55.012 55.803 -0.029 0.000 0.809 49 Q CB 2.273 30.964 28.738 -0.078 0.000 1.362 49 Q HN 0.487 8.757 8.270 -0.000 0.000 0.431 50 D N 1.878 122.319 120.400 0.068 0.000 2.313 50 D HA 0.247 4.899 4.640 0.019 0.000 0.239 50 D C -1.667 174.652 176.300 0.032 0.000 1.142 50 D CA -1.821 52.231 54.000 0.085 0.000 0.847 50 D CB 1.367 42.256 40.800 0.149 0.000 1.082 50 D HN 0.046 8.416 8.370 -0.000 0.000 0.480 51 P HA -0.257 4.163 4.420 -0.000 0.000 0.218 51 P C 1.065 178.391 177.300 0.044 0.000 1.154 51 P CA 1.263 64.364 63.100 0.001 0.000 0.872 51 P CB -0.043 31.659 31.700 0.003 0.000 0.790 52 H N -0.225 118.844 119.070 -0.001 0.000 2.326 52 H HA -0.089 4.479 4.556 0.020 0.000 0.301 52 H C 1.751 177.085 175.328 0.009 0.000 1.081 52 H CA 1.326 57.378 56.048 0.006 0.000 1.334 52 H CB 0.112 29.883 29.762 0.015 0.000 1.385 52 H HN 0.058 8.338 8.280 -0.000 0.000 0.504 53 E N 0.713 120.857 120.200 -0.094 0.000 2.072 53 E HA -0.122 4.240 4.350 0.019 0.000 0.190 53 E C 2.474 179.007 176.600 -0.112 0.000 0.982 53 E CA 0.361 56.681 56.400 -0.134 0.000 0.803 53 E CB -0.316 29.380 29.700 -0.005 0.000 0.755 53 E HN 0.342 8.702 8.360 -0.000 0.000 0.453 54 L N 1.507 122.691 121.223 -0.066 0.000 2.012 54 L HA -0.190 4.162 4.340 0.019 0.000 0.210 54 L C 2.430 179.252 176.870 -0.081 0.000 1.073 54 L CA 1.809 56.611 54.840 -0.062 0.000 0.748 54 L CB -0.432 41.596 42.059 -0.052 0.000 0.891 54 L HN -0.092 8.138 8.230 -0.000 0.000 0.431 55 R N -0.982 119.462 120.500 -0.094 0.000 2.081 55 R HA -0.136 4.215 4.340 0.019 0.000 0.235 55 R C 2.321 178.556 176.300 -0.109 0.000 1.131 55 R CA 1.372 57.418 56.100 -0.089 0.000 0.960 55 R CB -0.263 29.994 30.300 -0.070 0.000 0.856 55 R HN 0.447 8.717 8.270 -0.000 0.000 0.436 56 Q N -0.009 119.688 119.800 -0.172 0.000 2.123 56 Q HA -0.029 4.322 4.340 0.019 0.000 0.199 56 Q C 1.615 177.566 176.000 -0.081 0.000 0.966 56 Q CA 1.187 56.901 55.803 -0.148 0.000 0.845 56 Q CB -0.309 28.290 28.738 -0.233 0.000 0.907 56 Q HN 0.338 8.608 8.270 -0.000 0.000 0.439 57 N N 0.612 119.264 118.700 -0.081 0.000 2.223 57 N HA -0.081 4.670 4.740 0.019 0.000 0.185 57 N C 1.889 177.366 175.510 -0.055 0.000 1.016 57 N CA 0.770 53.788 53.050 -0.054 0.000 0.863 57 N CB -0.208 38.247 38.487 -0.054 0.000 0.983 57 N HN 0.289 8.669 8.380 -0.000 0.000 0.429 58 I N 0.752 121.281 120.570 -0.068 0.000 2.179 58 I HA -0.231 3.950 4.170 0.019 0.000 0.242 58 I C 2.451 178.525 176.117 -0.072 0.000 1.088 58 I CA 0.982 62.234 61.300 -0.080 0.000 1.357 58 I CB -0.128 37.825 38.000 -0.080 0.000 1.051 58 I HN 0.082 8.292 8.210 -0.000 0.000 0.409 59 R N 0.473 120.940 120.500 -0.054 0.000 2.075 59 R HA -0.133 4.218 4.340 0.019 0.000 0.230 59 R C 2.507 178.799 176.300 -0.013 0.000 1.140 59 R CA 1.427 57.501 56.100 -0.043 0.000 0.928 59 R CB -0.396 29.883 30.300 -0.036 0.000 0.834 59 R HN 0.248 8.518 8.270 -0.000 0.000 0.429 60 R N 0.443 120.963 120.500 0.033 0.000 2.134 60 R HA -0.235 4.117 4.340 0.019 0.000 0.248 60 R C 2.342 178.723 176.300 0.135 0.000 1.143 60 R CA 1.799 57.990 56.100 0.151 0.000 0.957 60 R CB -0.601 29.764 30.300 0.108 0.000 0.867 60 R HN 0.136 8.406 8.270 -0.000 0.000 0.441 61 L N 0.271 121.511 121.223 0.027 0.000 2.017 61 L HA -0.120 4.231 4.340 0.019 0.000 0.208 61 L C 2.246 179.104 176.870 -0.020 0.000 1.073 61 L CA 2.147 56.984 54.840 -0.004 0.000 0.745 61 L CB -0.678 41.328 42.059 -0.088 0.000 0.894 61 L HN 0.159 8.389 8.230 -0.000 0.000 0.432 62 A N -0.650 122.119 122.820 -0.085 0.000 1.898 62 A HA -0.053 4.278 4.320 0.019 0.000 0.216 62 A C 2.438 179.927 177.584 -0.158 0.000 1.181 62 A CA 1.644 53.598 52.037 -0.139 0.000 0.620 62 A CB -1.176 17.729 19.000 -0.158 0.000 0.819 62 A HN 0.550 8.700 8.150 -0.000 0.000 0.442 63 A N -0.470 122.285 122.820 -0.108 0.000 1.978 63 A HA -0.061 4.270 4.320 0.019 0.000 0.220 63 A C 2.176 179.765 177.584 0.008 0.000 1.170 63 A CA 1.533 53.484 52.037 -0.143 0.000 0.636 63 A CB -0.532 18.419 19.000 -0.082 0.000 0.810 63 A HN 0.478 8.628 8.150 -0.000 0.000 0.448 64 L N -2.460 118.859 121.223 0.160 0.000 2.072 64 L HA -0.144 4.208 4.340 0.019 0.000 0.205 64 L C 2.472 179.380 176.870 0.064 0.000 1.079 64 L CA 1.160 56.090 54.840 0.151 0.000 0.752 64 L CB -0.439 41.687 42.059 0.112 0.000 0.906 64 L HN 0.435 8.665 8.230 -0.000 0.000 0.436 65 Y N -0.172 120.042 120.300 -0.145 0.000 2.333 65 Y HA -0.211 4.350 4.550 0.019 0.000 0.290 65 Y C 2.262 178.017 175.900 -0.242 0.000 1.144 65 Y CA 1.118 59.095 58.100 -0.205 0.000 1.228 65 Y CB -0.249 38.051 38.460 -0.267 0.000 0.985 65 Y HN 0.100 8.380 8.280 -0.000 0.000 0.542 66 L N -1.734 119.366 121.223 -0.204 0.000 2.068 66 L HA -0.114 4.238 4.340 0.019 0.000 0.204 66 L C 2.655 179.483 176.870 -0.070 0.000 1.076 66 L CA 0.909 55.540 54.840 -0.349 0.000 0.753 66 L CB -0.864 40.523 42.059 -1.120 0.000 0.910 66 L HN 0.126 8.356 8.230 -0.000 0.000 0.439 67 A N -0.196 122.630 122.820 0.009 0.000 1.892 67 A HA -0.200 4.131 4.320 0.019 0.000 0.218 67 A C 2.313 179.966 177.584 0.115 0.000 1.188 67 A CA 1.969 54.145 52.037 0.232 0.000 0.631 67 A CB -0.999 18.171 19.000 0.284 0.000 0.822 67 A HN 0.197 8.347 8.150 -0.000 0.000 0.447 68 V N -1.156 118.767 119.914 0.016 0.000 2.568 68 V HA 0.034 4.165 4.120 0.019 0.000 0.253 68 V C 1.800 177.914 176.094 0.033 0.000 1.072 68 V CA 1.972 64.271 62.300 -0.001 0.000 1.084 68 V CB -0.493 31.290 31.823 -0.067 0.000 0.676 68 V HN 1.278 9.468 8.190 -0.000 0.000 0.469 69 G N -0.896 107.913 108.800 0.014 0.000 2.148 69 G HA2 -0.125 3.847 3.960 0.019 0.000 0.120 69 G HA3 -0.125 3.847 3.960 0.019 0.000 0.120 69 G C -0.125 174.759 174.900 -0.027 0.000 1.034 69 G CA -0.471 44.651 45.100 0.036 0.000 0.710 69 G HN 0.216 8.506 8.290 -0.000 0.000 0.495 70 I N 1.681 122.183 120.570 -0.114 0.000 2.556 70 I HA 0.264 4.446 4.170 0.019 0.000 0.284 70 I C -0.090 175.979 176.117 -0.079 0.000 1.114 70 I CA -0.331 60.860 61.300 -0.182 0.000 1.418 70 I CB 1.100 38.900 38.000 -0.333 0.000 1.394 70 I HN 0.098 8.308 8.210 -0.000 0.000 0.552 71 D N 9.529 129.906 120.400 -0.038 0.000 2.329 71 D HA 0.306 4.958 4.640 0.019 0.000 0.232 71 D C -1.618 174.695 176.300 0.022 0.000 1.088 71 D CA -2.079 51.934 54.000 0.021 0.000 0.835 71 D CB 1.937 42.769 40.800 0.053 0.000 1.078 71 D HN 0.188 8.558 8.370 -0.000 0.000 0.495 72 P HA -0.128 4.292 4.420 -0.000 0.000 0.216 72 P C 1.198 178.515 177.300 0.027 0.000 1.153 72 P CA 1.273 64.387 63.100 0.023 0.000 0.844 72 P CB -0.064 31.656 31.700 0.033 0.000 0.787 73 T N -1.804 112.779 114.554 0.048 0.000 2.699 73 T HA -0.188 4.173 4.350 0.019 0.000 0.268 73 T C 1.961 176.679 174.700 0.030 0.000 1.036 73 T CA 1.220 63.347 62.100 0.045 0.000 1.147 73 T CB -0.790 68.117 68.868 0.064 0.000 0.862 73 T HN 0.127 8.367 8.240 -0.000 0.000 0.446 74 Q N 0.570 120.390 119.800 0.034 0.000 2.391 74 Q HA 0.477 4.829 4.340 0.019 0.000 0.211 74 Q C 0.757 176.745 176.000 -0.021 0.000 0.908 74 Q CA 0.393 56.208 55.803 0.021 0.000 0.920 74 Q CB 0.619 29.386 28.738 0.048 0.000 1.056 74 Q HN 0.670 8.940 8.270 -0.000 0.000 0.523 75 A N 0.301 123.114 122.820 -0.011 0.000 2.423 75 A HA 0.628 4.960 4.320 0.019 0.000 0.304 75 A C -0.713 176.834 177.584 -0.061 0.000 1.104 75 A CA -0.498 51.525 52.037 -0.024 0.000 0.757 75 A CB 1.410 20.517 19.000 0.178 0.000 1.313 75 A HN -0.003 8.147 8.150 -0.000 0.000 0.423 76 T N 1.701 116.138 114.554 -0.195 0.000 2.753 76 T HA 0.487 4.848 4.350 0.019 0.000 0.297 76 T C -0.717 174.081 174.700 0.163 0.000 0.981 76 T CA -0.009 62.002 62.100 -0.148 0.000 0.956 76 T CB 0.342 68.914 68.868 -0.492 0.000 0.936 76 T HN 0.706 8.946 8.240 -0.000 0.000 0.463 77 L N 5.964 127.327 121.223 0.233 0.000 2.345 77 L HA 0.779 5.131 4.340 0.019 0.000 0.274 77 L C -1.375 175.659 176.870 0.274 0.000 0.999 77 L CA -0.749 54.235 54.840 0.240 0.000 0.849 77 L CB 0.223 42.333 42.059 0.084 0.000 1.220 77 L HN 0.564 8.794 8.230 -0.000 0.000 0.422 78 F N 3.114 123.045 119.950 -0.031 0.000 2.675 78 F HA 0.735 5.273 4.527 0.018 0.000 0.324 78 F C -0.994 174.781 175.800 -0.042 0.000 1.106 78 F CA -1.814 56.175 58.000 -0.018 0.000 0.970 78 F CB 0.793 39.816 39.000 0.038 0.000 1.385 78 F HN 0.162 8.462 8.300 -0.000 0.000 0.489 79 I N 2.126 122.685 120.570 -0.019 0.000 2.315 79 I HA 0.200 4.382 4.170 0.019 0.000 0.291 79 I C 1.312 177.372 176.117 -0.096 0.000 1.006 79 I CA -0.375 60.843 61.300 -0.136 0.000 1.265 79 I CB 1.636 39.601 38.000 -0.058 0.000 1.387 79 I HN 0.834 9.044 8.210 -0.000 0.000 0.475 80 Q N 3.684 123.329 119.800 -0.259 0.000 2.029 80 Q HA -0.288 4.063 4.340 0.019 0.000 0.209 80 Q C 2.187 178.119 176.000 -0.114 0.000 0.999 80 Q CA 2.901 58.539 55.803 -0.276 0.000 0.857 80 Q CB -0.016 28.535 28.738 -0.312 0.000 0.926 80 Q HN 0.872 9.142 8.270 -0.000 0.000 0.415 81 S N -0.008 115.644 115.700 -0.080 0.000 2.428 81 S HA -0.212 4.269 4.470 0.019 0.000 0.240 81 S C 1.222 175.839 174.600 0.027 0.000 1.036 81 S CA 1.753 59.937 58.200 -0.027 0.000 1.009 81 S CB -0.378 62.801 63.200 -0.035 0.000 0.803 81 S HN 0.491 8.801 8.310 -0.000 0.000 0.486 82 E N 0.188 120.423 120.200 0.059 0.000 2.502 82 E HA 0.142 4.504 4.350 0.019 0.000 0.194 82 E C -0.597 176.092 176.600 0.149 0.000 1.062 82 E CA 0.075 56.532 56.400 0.095 0.000 0.867 82 E CB 0.403 30.161 29.700 0.098 0.000 0.888 82 E HN 0.396 8.756 8.360 -0.000 0.000 0.510 83 V N 2.140 122.175 119.914 0.203 0.000 2.320 83 V HA 0.108 4.240 4.120 0.019 0.000 0.268 83 V C -1.942 174.305 176.094 0.256 0.000 1.021 83 V CA -1.270 61.195 62.300 0.274 0.000 0.813 83 V CB 1.329 33.442 31.823 0.483 0.000 1.054 83 V HN -0.069 8.121 8.190 -0.000 0.000 0.444 84 P HA -0.227 4.193 4.420 -0.000 0.000 0.217 84 P C 1.756 179.116 177.300 0.101 0.000 1.151 84 P CA 1.850 65.010 63.100 0.101 0.000 0.849 84 P CB 0.293 32.025 31.700 0.055 0.000 0.787 85 A N -1.204 121.663 122.820 0.078 0.000 2.104 85 A HA -0.298 4.033 4.320 0.019 0.000 0.223 85 A C 1.886 179.435 177.584 -0.059 0.000 1.164 85 A CA 1.977 54.004 52.037 -0.015 0.000 0.659 85 A CB -1.647 17.303 19.000 -0.083 0.000 0.808 85 A HN 0.285 8.435 8.150 -0.000 0.000 0.465 86 H N -0.942 118.137 119.070 0.015 0.000 2.333 86 H HA 0.152 4.719 4.556 0.019 0.000 0.302 86 H C 2.456 177.786 175.328 0.003 0.000 1.075 86 H CA 1.717 57.772 56.048 0.012 0.000 1.348 86 H CB -0.111 29.692 29.762 0.067 0.000 1.393 86 H HN 0.509 8.789 8.280 -0.000 0.000 0.509 87 A N 0.382 123.287 122.820 0.141 0.000 2.014 87 A HA -0.142 4.189 4.320 0.019 0.000 0.218 87 A C 2.055 179.700 177.584 0.100 0.000 1.163 87 A CA 1.153 53.245 52.037 0.091 0.000 0.652 87 A CB -0.192 18.843 19.000 0.058 0.000 0.808 87 A HN 0.454 8.604 8.150 -0.000 0.000 0.449 88 Q N -0.559 119.286 119.800 0.075 0.000 2.020 88 Q HA -0.018 4.333 4.340 0.019 0.000 0.198 88 Q C 2.486 178.542 176.000 0.093 0.000 0.974 88 Q CA 1.241 57.096 55.803 0.087 0.000 0.829 88 Q CB -0.356 28.405 28.738 0.038 0.000 0.894 88 Q HN 0.636 8.906 8.270 -0.000 0.000 0.433 89 A N 1.344 124.168 122.820 0.008 0.000 1.902 89 A HA -0.159 4.172 4.320 0.019 0.000 0.217 89 A C 2.333 179.905 177.584 -0.020 0.000 1.181 89 A CA 1.653 53.665 52.037 -0.040 0.000 0.623 89 A CB -0.900 18.019 19.000 -0.136 0.000 0.818 89 A HN 0.402 8.552 8.150 -0.000 0.000 0.443 90 A N -0.936 121.895 122.820 0.017 0.000 1.948 90 A HA -0.126 4.205 4.320 0.019 0.000 0.220 90 A C 1.419 179.050 177.584 0.078 0.000 1.177 90 A CA 0.963 53.020 52.037 0.034 0.000 0.636 90 A CB -0.755 18.284 19.000 0.066 0.000 0.815 90 A HN 0.810 8.960 8.150 -0.000 0.000 0.449 94 Q N -0.203 119.423 119.800 -0.290 0.000 2.311 94 Q HA -0.060 4.292 4.340 0.019 0.000 0.203 94 Q C 1.974 177.748 176.000 -0.377 0.000 0.954 94 Q CA 1.444 57.066 55.803 -0.301 0.000 0.885 94 Q CB 0.210 28.766 28.738 -0.303 0.000 0.963 94 Q HN 0.595 8.865 8.270 -0.000 0.000 0.471 95 C N 0.087 119.097 119.300 -0.484 0.000 2.481 95 C HA 0.026 4.497 4.460 0.019 0.000 0.275 95 C C 2.295 177.154 174.990 -0.219 0.000 1.419 95 C CA 0.135 58.916 59.018 -0.394 0.000 1.773 95 C CB -0.630 26.842 27.740 -0.447 0.000 1.862 95 C HN 0.602 8.832 8.230 -0.000 0.000 0.530 96 I N -1.816 118.630 120.570 -0.208 0.000 3.854 96 I HA 0.227 4.408 4.170 0.019 0.000 0.312 96 I C 0.810 176.700 176.117 -0.378 0.000 1.273 96 I CA 0.476 61.651 61.300 -0.208 0.000 1.298 96 I CB -0.173 37.769 38.000 -0.097 0.000 1.071 96 I HN -0.005 8.205 8.210 -0.000 0.000 0.428 97 V N 1.926 121.649 119.914 -0.320 0.000 2.881 97 V HA 0.147 4.279 4.120 0.019 0.000 0.303 97 V C -0.535 175.377 176.094 -0.302 0.000 1.070 97 V CA -0.055 62.035 62.300 -0.350 0.000 1.074 97 V CB 0.811 32.509 31.823 -0.208 0.000 1.012 97 V HN 0.239 8.429 8.190 -0.000 0.000 0.482 98 Y N 4.525 124.787 120.300 -0.063 0.000 2.419 98 Y HA 0.459 5.020 4.550 0.019 0.000 0.328 98 Y C 1.228 177.099 175.900 -0.048 0.000 1.162 98 Y CA -1.230 56.838 58.100 -0.052 0.000 1.174 98 Y CB 0.969 39.402 38.460 -0.045 0.000 1.228 98 Y HN 0.431 8.711 8.280 -0.000 0.000 0.473 99 I N 0.520 121.176 120.570 0.144 0.000 2.286 99 I HA -0.179 4.003 4.170 0.019 0.000 0.248 99 I C 2.129 178.279 176.117 0.055 0.000 1.115 99 I CA 1.526 62.865 61.300 0.065 0.000 1.392 99 I CB -1.184 36.843 38.000 0.046 0.000 1.065 99 I HN 0.875 9.085 8.210 -0.000 0.000 0.418 100 G N 1.716 110.556 108.800 0.067 0.000 2.545 100 G HA2 -0.271 3.701 3.960 0.019 0.000 0.217 100 G HA3 -0.271 3.701 3.960 0.019 0.000 0.217 100 G C 1.452 176.376 174.900 0.040 0.000 1.218 100 G CA 0.918 46.041 45.100 0.038 0.000 0.787 100 G HN 0.505 8.795 8.290 -0.000 0.000 0.571 101 E N 0.367 120.612 120.200 0.074 0.000 2.147 101 E HA -0.163 4.199 4.350 0.019 0.000 0.199 101 E C 2.560 179.152 176.600 -0.012 0.000 1.005 101 E CA 0.889 57.307 56.400 0.030 0.000 0.810 101 E CB -0.301 29.418 29.700 0.031 0.000 0.736 101 E HN 0.436 8.796 8.360 -0.000 0.000 0.460 102 L N 0.822 122.040 121.223 -0.008 0.000 2.027 102 L HA -0.165 4.187 4.340 0.019 0.000 0.206 102 L C 2.392 179.253 176.870 -0.015 0.000 1.074 102 L CA 1.302 56.124 54.840 -0.030 0.000 0.745 102 L CB -0.419 41.627 42.059 -0.022 0.000 0.898 102 L HN 0.109 8.339 8.230 -0.000 0.000 0.433 103 E N -0.020 120.182 120.200 0.003 0.000 2.153 103 E HA -0.126 4.235 4.350 0.019 0.000 0.194 103 E C 0.811 177.412 176.600 0.001 0.000 0.988 103 E CA 0.503 56.908 56.400 0.009 0.000 0.811 103 E CB 0.037 29.744 29.700 0.013 0.000 0.746 103 E HN 0.482 8.842 8.360 -0.000 0.000 0.466 119 S N 3.051 118.797 115.700 0.078 0.000 2.537 119 S HA 0.429 4.911 4.470 0.019 0.000 0.286 119 S C 1.438 176.087 174.600 0.082 0.000 1.299 119 S CA 0.373 58.619 58.200 0.076 0.000 1.067 119 S CB 1.448 64.695 63.200 0.078 0.000 0.864 119 S HN 1.783 10.093 8.310 -0.000 0.000 0.494 120 A N 4.373 127.239 122.820 0.076 0.000 2.172 120 A HA 0.185 4.517 4.320 0.019 0.000 0.216 120 A C 2.022 179.671 177.584 0.108 0.000 1.154 120 A CA 1.125 53.213 52.037 0.085 0.000 0.701 120 A CB -1.068 17.977 19.000 0.075 0.000 0.789 120 A HN 1.097 9.247 8.150 -0.000 0.000 0.465 121 G N -0.807 108.058 108.800 0.108 0.000 2.484 121 G HA2 -0.012 3.959 3.960 0.019 0.000 0.218 121 G HA3 -0.012 3.959 3.960 0.019 0.000 0.218 121 G C 1.132 176.165 174.900 0.222 0.000 1.130 121 G CA 0.518 45.700 45.100 0.137 0.000 0.784 121 G HN 0.361 8.651 8.290 -0.000 0.000 0.543 122 L N -0.094 121.245 121.223 0.194 0.000 2.492 122 L HA 0.275 4.627 4.340 0.019 0.000 0.223 122 L C 2.295 179.368 176.870 0.337 0.000 1.132 122 L CA 0.819 55.808 54.840 0.248 0.000 0.850 122 L CB -0.048 42.100 42.059 0.148 0.000 0.966 122 L HN 0.311 8.541 8.230 -0.000 0.000 0.454 123 L N -1.088 120.269 121.223 0.222 0.000 2.425 123 L HA 0.056 4.408 4.340 0.019 0.000 0.215 123 L C 1.957 178.859 176.870 0.054 0.000 1.065 123 L CA 1.243 56.162 54.840 0.132 0.000 0.842 123 L CB -0.100 42.013 42.059 0.089 0.000 1.033 123 L HN 0.245 8.475 8.230 -0.000 0.000 0.474 124 T N -3.220 111.390 114.554 0.094 0.000 3.145 124 T HA 0.028 4.389 4.350 0.019 0.000 0.255 124 T C 1.480 176.205 174.700 0.042 0.000 1.039 124 T CA 0.299 62.422 62.100 0.038 0.000 0.928 124 T CB -0.663 68.249 68.868 0.073 0.000 1.029 124 T HN 0.521 8.761 8.240 -0.000 0.000 0.554 125 Y N 0.647 121.008 120.300 0.102 0.000 2.457 125 Y HA 0.367 4.928 4.550 0.019 0.000 0.292 125 Y C -1.220 174.781 175.900 0.169 0.000 1.125 125 Y CA -0.708 57.480 58.100 0.148 0.000 1.254 125 Y CB -1.611 36.994 38.460 0.242 0.000 1.012 125 Y HN 0.195 8.475 8.280 -0.000 0.000 0.555 126 P HA -0.099 4.321 4.420 -0.000 0.000 0.215 126 P C -1.198 176.041 177.300 -0.102 0.000 1.157 126 P CA 2.217 65.100 63.100 -0.362 0.000 0.868 126 P CB -1.068 30.448 31.700 -0.306 0.000 0.788 127 P HA -0.080 4.340 4.420 -0.000 0.000 0.218 127 P C 0.843 178.126 177.300 -0.029 0.000 1.149 127 P CA 0.739 63.792 63.100 -0.078 0.000 0.817 127 P CB -0.267 31.383 31.700 -0.084 0.000 0.785 131 A N 0.967 123.688 122.820 -0.165 0.000 1.859 131 A HA -0.200 4.132 4.320 0.019 0.000 0.217 131 A C 1.624 179.040 177.584 -0.280 0.000 1.198 131 A CA 2.439 54.351 52.037 -0.209 0.000 0.629 131 A CB -0.962 17.966 19.000 -0.121 0.000 0.830 131 A HN 0.484 8.634 8.150 -0.000 0.000 0.446 132 D N -0.156 120.176 120.400 -0.114 0.000 2.268 132 D HA -0.231 4.421 4.640 0.019 0.000 0.189 132 D C 1.786 177.625 176.300 -0.768 0.000 1.010 132 D CA 2.020 55.941 54.000 -0.131 0.000 0.862 132 D CB -0.474 40.355 40.800 0.049 0.000 0.943 132 D HN 0.556 8.926 8.370 -0.000 0.000 0.451 133 I N 0.200 120.403 120.570 -0.612 0.000 2.133 133 I HA -0.214 3.968 4.170 0.019 0.000 0.238 133 I C 2.561 178.469 176.117 -0.348 0.000 1.074 133 I CA 0.616 61.589 61.300 -0.546 0.000 1.342 133 I CB -0.214 37.638 38.000 -0.247 0.000 1.053 133 I HN -0.022 8.188 8.210 -0.000 0.000 0.404 134 L N 0.206 121.259 121.223 -0.282 0.000 2.079 134 L HA -0.246 4.106 4.340 0.019 0.000 0.210 134 L C 2.575 179.355 176.870 -0.149 0.000 1.081 134 L CA 1.242 55.996 54.840 -0.143 0.000 0.752 134 L CB -0.749 41.142 42.059 -0.280 0.000 0.896 134 L HN 0.312 8.542 8.230 -0.000 0.000 0.433 135 L N -0.942 120.030 121.223 -0.418 0.000 2.103 135 L HA -0.274 4.077 4.340 0.019 0.000 0.215 135 L C 1.816 178.195 176.870 -0.819 0.000 1.080 135 L CA 1.652 56.064 54.840 -0.712 0.000 0.764 135 L CB -0.486 40.866 42.059 -1.178 0.000 0.890 135 L HN 0.328 8.558 8.230 -0.000 0.000 0.435 136 Y N -1.494 118.641 120.300 -0.275 0.000 2.524 136 Y HA 0.158 4.720 4.550 0.019 0.000 0.266 136 Y C 0.828 176.650 175.900 -0.130 0.000 1.180 136 Y CA -0.634 57.303 58.100 -0.271 0.000 1.244 136 Y CB -0.700 37.448 38.460 -0.520 0.000 1.125 136 Y HN 0.158 8.438 8.280 -0.000 0.000 0.524 137 N N 0.441 119.127 118.700 -0.023 0.000 2.727 137 N HA -0.194 4.558 4.740 0.019 0.000 0.249 137 N C -0.024 175.526 175.510 0.067 0.000 1.048 137 N CA 0.907 53.969 53.050 0.020 0.000 0.714 137 N CB -0.633 37.859 38.487 0.008 0.000 0.959 137 N HN 0.426 8.806 8.380 -0.000 0.000 0.544 138 T N -3.163 111.433 114.554 0.070 0.000 2.919 138 T HA 0.087 4.449 4.350 0.019 0.000 0.302 138 T C 0.813 175.560 174.700 0.078 0.000 1.031 138 T CA -0.106 62.056 62.100 0.103 0.000 1.127 138 T CB 1.019 69.973 68.868 0.144 0.000 0.952 138 T HN 0.078 8.318 8.240 -0.000 0.000 0.540 139 D N 2.098 122.550 120.400 0.087 0.000 2.338 139 D HA 0.181 4.832 4.640 0.019 0.000 0.224 139 D C 0.362 176.693 176.300 0.052 0.000 0.967 139 D CA 0.745 54.790 54.000 0.074 0.000 0.896 139 D CB 0.433 41.293 40.800 0.099 0.000 1.028 139 D HN 0.516 8.886 8.370 -0.000 0.000 0.493 140 I N 0.896 121.485 120.570 0.032 0.000 2.509 140 I HA 0.189 4.370 4.170 0.019 0.000 0.293 140 I C -0.695 175.431 176.117 0.014 0.000 1.020 140 I CA -0.687 60.613 61.300 0.000 0.000 1.088 140 I CB 2.952 40.906 38.000 -0.077 0.000 1.267 140 I HN -0.367 7.843 8.210 -0.000 0.000 0.430 141 V N 7.144 127.079 119.914 0.035 0.000 2.349 141 V HA 0.364 4.495 4.120 0.019 0.000 0.284 141 V C -2.297 173.837 176.094 0.066 0.000 1.014 141 V CA -1.490 60.852 62.300 0.069 0.000 0.826 141 V CB 1.719 33.596 31.823 0.091 0.000 1.009 141 V HN 0.542 8.732 8.190 -0.000 0.000 0.431 142 P HA 0.269 4.689 4.420 -0.000 0.000 0.268 142 P C -0.731 176.652 177.300 0.137 0.000 1.541 142 P CA 0.097 63.274 63.100 0.129 0.000 1.093 142 P CB 0.967 32.821 31.700 0.257 0.000 1.551 143 V N 0.635 120.606 119.914 0.096 0.000 3.012 143 V HA 0.849 4.981 4.120 0.019 0.000 0.307 143 V C 0.455 176.587 176.094 0.064 0.000 1.166 143 V CA -0.858 61.492 62.300 0.084 0.000 0.974 143 V CB 1.492 33.365 31.823 0.084 0.000 1.040 143 V HN 0.477 8.667 8.190 -0.000 0.000 0.428 144 G N 1.078 109.911 108.800 0.055 0.000 2.593 144 G HA2 0.237 4.209 3.960 0.019 0.000 0.279 144 G HA3 0.237 4.209 3.960 0.019 0.000 0.279 144 G C 0.327 175.257 174.900 0.049 0.000 1.329 144 G CA 0.270 45.397 45.100 0.044 0.000 1.036 144 G HN 0.951 9.241 8.290 -0.000 0.000 0.555 145 E N -0.138 120.087 120.200 0.042 0.000 2.479 145 E HA -0.043 4.318 4.350 0.019 0.000 0.193 145 E C 1.448 178.076 176.600 0.046 0.000 1.049 145 E CA 0.310 56.734 56.400 0.040 0.000 0.870 145 E CB 0.252 29.969 29.700 0.029 0.000 0.944 145 E HN 0.593 8.953 8.360 -0.000 0.000 0.492 146 D N 0.509 120.943 120.400 0.056 0.000 2.269 146 D HA -0.145 4.507 4.640 0.019 0.000 0.208 146 D C 1.360 177.735 176.300 0.125 0.000 0.963 146 D CA 0.605 54.647 54.000 0.071 0.000 0.864 146 D CB -0.032 40.807 40.800 0.065 0.000 0.936 146 D HN 0.058 8.428 8.370 -0.000 0.000 0.505 147 Q N 0.332 120.211 119.800 0.131 0.000 2.246 147 Q HA 0.074 4.425 4.340 0.019 0.000 0.202 147 Q C 1.771 177.862 176.000 0.152 0.000 0.883 147 Q CA 0.069 55.993 55.803 0.200 0.000 0.952 147 Q CB 0.783 29.598 28.738 0.129 0.000 1.078 147 Q HN 0.587 8.857 8.270 -0.000 0.000 0.493 148 K N 0.088 120.538 120.400 0.083 0.000 2.076 148 K HA -0.099 4.232 4.320 0.019 0.000 0.204 148 K C 1.799 178.407 176.600 0.014 0.000 1.051 148 K CA 0.976 57.290 56.287 0.046 0.000 0.949 148 K CB 0.028 32.544 32.500 0.027 0.000 0.726 148 K HN -0.006 8.244 8.250 -0.000 0.000 0.443 149 Q N -0.241 119.536 119.800 -0.040 0.000 2.224 149 Q HA -0.169 4.183 4.340 0.019 0.000 0.203 149 Q C 1.691 177.605 176.000 -0.143 0.000 0.970 149 Q CA 1.165 56.900 55.803 -0.113 0.000 0.865 149 Q CB 0.038 28.666 28.738 -0.183 0.000 0.922 149 Q HN 0.550 8.820 8.270 -0.000 0.000 0.445 150 H N -0.292 118.777 119.070 -0.001 0.000 2.457 150 H HA -0.058 4.509 4.556 0.018 0.000 0.294 150 H C 1.876 177.190 175.328 -0.024 0.000 1.064 150 H CA 0.995 57.035 56.048 -0.013 0.000 1.330 150 H CB 0.414 30.189 29.762 0.021 0.000 1.395 150 H HN 0.303 8.583 8.280 -0.000 0.000 0.541 151 I N 0.280 120.903 120.570 0.089 0.000 2.585 151 I HA -0.098 4.083 4.170 0.019 0.000 0.254 151 I C 2.185 178.304 176.117 0.004 0.000 1.129 151 I CA 0.427 61.751 61.300 0.041 0.000 1.455 151 I CB -0.437 37.589 38.000 0.044 0.000 1.111 151 I HN 0.044 8.254 8.210 -0.000 0.000 0.433 152 E N 1.210 121.408 120.200 -0.004 0.000 2.130 152 E HA -0.239 4.122 4.350 0.019 0.000 0.196 152 E C 2.166 178.748 176.600 -0.031 0.000 0.998 152 E CA 1.214 57.603 56.400 -0.017 0.000 0.806 152 E CB -0.373 29.313 29.700 -0.023 0.000 0.738 152 E HN 0.387 8.747 8.360 -0.000 0.000 0.459 153 L N 0.536 121.735 121.223 -0.039 0.000 2.023 153 L HA -0.104 4.248 4.340 0.019 0.000 0.205 153 L C 2.507 179.332 176.870 -0.075 0.000 1.073 153 L CA 2.298 57.104 54.840 -0.057 0.000 0.745 153 L CB -0.857 41.165 42.059 -0.062 0.000 0.900 153 L HN 0.154 8.384 8.230 -0.000 0.000 0.435 154 T N -2.142 112.371 114.554 -0.068 0.000 3.051 154 T HA -0.156 4.206 4.350 0.019 0.000 0.269 154 T C 1.951 176.577 174.700 -0.124 0.000 1.127 154 T CA 1.181 63.213 62.100 -0.113 0.000 1.107 154 T CB -0.330 68.477 68.868 -0.102 0.000 0.898 154 T HN 0.412 8.652 8.240 -0.000 0.000 0.517 155 R N -0.085 120.369 120.500 -0.077 0.000 2.140 155 R HA 0.098 4.449 4.340 0.019 0.000 0.213 155 R C 1.855 178.121 176.300 -0.057 0.000 1.059 155 R CA 1.135 57.200 56.100 -0.057 0.000 1.000 155 R CB 0.064 30.348 30.300 -0.027 0.000 0.910 155 R HN 0.389 8.659 8.270 -0.000 0.000 0.455 156 D N 0.651 121.013 120.400 -0.063 0.000 2.137 156 D HA -0.083 4.568 4.640 0.019 0.000 0.202 156 D C 1.885 178.135 176.300 -0.083 0.000 0.970 156 D CA 0.804 54.770 54.000 -0.058 0.000 0.837 156 D CB -0.042 40.725 40.800 -0.054 0.000 0.981 156 D HN 0.094 8.464 8.370 -0.000 0.000 0.475 157 L N 0.645 121.791 121.223 -0.128 0.000 2.042 157 L HA -0.180 4.172 4.340 0.019 0.000 0.210 157 L C 2.399 179.172 176.870 -0.162 0.000 1.076 157 L CA 1.298 56.038 54.840 -0.167 0.000 0.749 157 L CB -0.463 41.461 42.059 -0.225 0.000 0.893 157 L HN 0.019 8.249 8.230 -0.000 0.000 0.432 158 A N -0.367 122.324 122.820 -0.214 0.000 1.898 158 A HA -0.213 4.119 4.320 0.019 0.000 0.216 158 A C 2.130 179.745 177.584 0.052 0.000 1.181 158 A CA 1.506 53.425 52.037 -0.197 0.000 0.620 158 A CB -0.384 18.505 19.000 -0.186 0.000 0.819 158 A HN 0.407 8.557 8.150 -0.000 0.000 0.442 159 E N -0.729 119.482 120.200 0.019 0.000 2.051 159 E HA -0.171 4.190 4.350 0.019 0.000 0.192 159 E C 2.359 178.992 176.600 0.055 0.000 0.991 159 E CA 0.993 57.420 56.400 0.045 0.000 0.799 159 E CB -0.138 29.569 29.700 0.012 0.000 0.748 159 E HN 0.475 8.835 8.360 -0.000 0.000 0.449 160 R N -0.399 120.115 120.500 0.022 0.000 2.105 160 R HA -0.155 4.196 4.340 0.019 0.000 0.239 160 R C 2.163 178.483 176.300 0.034 0.000 1.135 160 R CA 1.221 57.318 56.100 -0.004 0.000 0.967 160 R CB -0.214 30.050 30.300 -0.061 0.000 0.861 160 R HN 0.187 8.457 8.270 -0.000 0.000 0.442 161 F N 1.531 121.484 119.950 0.004 0.000 2.074 161 F HA -0.168 4.371 4.527 0.019 0.000 0.293 161 F C 2.024 177.923 175.800 0.164 0.000 1.116 161 F CA 1.410 59.497 58.000 0.146 0.000 1.212 161 F CB -0.249 38.916 39.000 0.275 0.000 0.998 161 F HN -0.015 8.285 8.300 -0.000 0.000 0.471 162 N N 0.901 119.892 118.700 0.486 0.000 2.091 162 N HA -0.211 4.540 4.740 0.019 0.000 0.193 162 N C 1.710 177.289 175.510 0.114 0.000 1.021 162 N CA 1.458 54.698 53.050 0.316 0.000 0.862 162 N CB -0.366 38.269 38.487 0.246 0.000 1.018 162 N HN 0.335 8.715 8.380 -0.000 0.000 0.429 163 K N 0.596 121.021 120.400 0.042 0.000 2.025 163 K HA -0.057 4.275 4.320 0.019 0.000 0.207 163 K C 2.079 178.607 176.600 -0.119 0.000 1.049 163 K CA 0.565 56.833 56.287 -0.031 0.000 0.933 163 K CB -0.166 32.310 32.500 -0.040 0.000 0.714 163 K HN 0.190 8.440 8.250 -0.000 0.000 0.438 164 R N 0.316 120.668 120.500 -0.246 0.000 2.064 164 R HA -0.107 4.245 4.340 0.019 0.000 0.228 164 R C 2.086 178.088 176.300 -0.496 0.000 1.144 164 R CA 1.682 57.490 56.100 -0.487 0.000 0.932 164 R CB -0.276 29.514 30.300 -0.849 0.000 0.833 164 R HN 0.287 8.557 8.270 -0.000 0.000 0.429 165 Y N -0.947 119.178 120.300 -0.292 0.000 2.482 165 Y HA 0.263 4.825 4.550 0.019 0.000 0.270 165 Y C 0.899 176.745 175.900 -0.090 0.000 1.152 165 Y CA 0.194 58.141 58.100 -0.255 0.000 1.292 165 Y CB 0.829 38.995 38.460 -0.490 0.000 1.070 165 Y HN 0.395 8.675 8.280 -0.000 0.000 0.528 166 G N 1.304 110.145 108.800 0.069 0.000 2.674 166 G HA2 -0.198 3.773 3.960 0.019 0.000 0.686 166 G HA3 -0.198 3.773 3.960 0.019 0.000 0.686 166 G C -0.938 174.054 174.900 0.154 0.000 1.195 166 G CA -0.981 44.174 45.100 0.090 0.000 0.776 166 G HN 0.173 8.463 8.290 -0.000 0.000 0.654 167 E N 0.116 120.380 120.200 0.107 0.000 2.614 167 E HA 0.147 4.508 4.350 0.019 0.000 0.245 167 E C 0.992 177.632 176.600 0.067 0.000 1.039 167 E CA 0.131 56.597 56.400 0.109 0.000 0.948 167 E CB 0.270 30.008 29.700 0.063 0.000 0.937 167 E HN 0.693 9.053 8.360 -0.000 0.000 0.498 168 L N 5.951 127.205 121.223 0.051 0.000 2.730 168 L HA 0.339 4.690 4.340 0.019 0.000 0.236 168 L C -0.689 175.923 176.870 -0.429 0.000 1.061 168 L CA 0.506 55.195 54.840 -0.253 0.000 0.898 168 L CB 0.471 42.254 42.059 -0.461 0.000 1.270 168 L HN 0.382 8.612 8.230 -0.000 0.000 0.500 169 F N 0.385 120.311 119.950 -0.041 0.000 2.450 169 F HA 0.448 4.986 4.527 0.018 0.000 0.332 169 F C 0.700 176.475 175.800 -0.042 0.000 1.093 169 F CA -0.840 57.107 58.000 -0.089 0.000 1.003 169 F CB 1.112 40.033 39.000 -0.132 0.000 1.151 169 F HN -0.309 7.991 8.300 -0.000 0.000 0.474 170 T N 4.639 119.272 114.554 0.132 0.000 2.784 170 T HA 0.178 4.539 4.350 0.019 0.000 0.291 170 T C 0.237 174.989 174.700 0.088 0.000 0.942 170 T CA -0.464 61.691 62.100 0.092 0.000 1.161 170 T CB -0.362 68.545 68.868 0.065 0.000 0.885 170 T HN 0.106 8.346 8.240 -0.000 0.000 0.534 171 I N 7.509 128.121 120.570 0.071 0.000 2.828 171 I HA 0.102 4.283 4.170 0.019 0.000 0.292 171 I C -1.418 174.718 176.117 0.032 0.000 1.206 171 I CA -2.283 59.040 61.300 0.038 0.000 1.420 171 I CB -0.985 37.037 38.000 0.036 0.000 1.368 171 I HN 0.457 8.667 8.210 -0.000 0.000 0.556 172 P HA 0.558 4.978 4.420 -0.000 0.000 0.290 172 P C -1.161 176.154 177.300 0.023 0.000 1.302 172 P CA -0.751 62.363 63.100 0.024 0.000 0.893 172 P CB 1.894 33.601 31.700 0.012 0.000 1.272 173 E N -0.556 119.661 120.200 0.029 0.000 2.248 173 E HA 0.606 4.967 4.350 0.019 0.000 0.267 173 E C -1.169 175.450 176.600 0.031 0.000 0.877 173 E CA -0.949 55.468 56.400 0.029 0.000 0.759 173 E CB 1.482 31.201 29.700 0.032 0.000 1.182 173 E HN 0.415 8.775 8.360 -0.000 0.000 0.418 174 A N 5.233 128.073 122.820 0.033 0.000 2.910 174 A HA 0.451 4.782 4.320 0.019 0.000 0.316 174 A C -0.335 177.272 177.584 0.038 0.000 1.493 174 A CA -0.264 51.797 52.037 0.040 0.000 1.150 174 A CB -0.276 18.749 19.000 0.042 0.000 1.159 174 A HN 0.478 8.628 8.150 -0.000 0.000 0.526 175 R N 2.786 123.308 120.500 0.037 0.000 2.512 175 R HA 0.450 4.801 4.340 0.019 0.000 0.291 175 R C -1.555 174.767 176.300 0.037 0.000 1.097 175 R CA -0.609 55.511 56.100 0.033 0.000 0.940 175 R CB 0.932 31.248 30.300 0.027 0.000 1.198 175 R HN 0.553 8.823 8.270 -0.000 0.000 0.429 176 I N 6.549 127.147 120.570 0.047 0.000 2.421 176 I HA 0.186 4.368 4.170 0.019 0.000 0.291 176 I C -1.866 174.278 176.117 0.044 0.000 1.089 176 I CA -1.861 59.475 61.300 0.060 0.000 1.354 176 I CB 0.939 38.964 38.000 0.043 0.000 1.413 176 I HN 0.346 8.556 8.210 -0.000 0.000 0.513 177 P HA 0.030 4.450 4.420 -0.000 0.000 0.268 177 P C -0.437 176.894 177.300 0.053 0.000 1.204 177 P CA -0.204 62.926 63.100 0.051 0.000 0.768 177 P CB 0.368 32.090 31.700 0.038 0.000 0.842 178 K N -0.142 120.285 120.400 0.046 0.000 3.077 178 K HA -0.122 4.210 4.320 0.019 0.000 0.264 178 K C -0.346 176.252 176.600 -0.004 0.000 1.008 178 K CA 0.324 56.627 56.287 0.027 0.000 0.740 178 K CB -2.912 29.610 32.500 0.038 0.000 1.273 178 K HN 0.286 8.536 8.250 -0.000 0.000 0.477 179 V N -0.303 119.610 119.914 -0.003 0.000 2.790 179 V HA 0.070 4.201 4.120 0.019 0.000 0.304 179 V C 1.805 177.878 176.094 -0.034 0.000 1.142 179 V CA 0.803 63.090 62.300 -0.022 0.000 1.282 179 V CB 0.361 32.180 31.823 -0.006 0.000 0.877 179 V HN 0.493 8.683 8.190 -0.000 0.000 0.504 180 G N 2.401 111.164 108.800 -0.060 0.000 2.522 180 G HA2 0.615 4.586 3.960 0.019 0.000 0.304 180 G HA3 0.615 4.586 3.960 0.019 0.000 0.304 180 G C 0.120 175.003 174.900 -0.028 0.000 1.210 180 G CA -0.386 44.681 45.100 -0.056 0.000 0.960 180 G HN 1.300 9.590 8.290 -0.000 0.000 0.497 181 A N -0.057 122.757 122.820 -0.009 0.000 2.520 181 A HA 0.379 4.710 4.320 0.019 0.000 0.235 181 A C 0.921 178.515 177.584 0.017 0.000 1.065 181 A CA -0.091 51.957 52.037 0.018 0.000 0.764 181 A CB 0.064 19.092 19.000 0.047 0.000 1.002 181 A HN 0.727 8.877 8.150 -0.000 0.000 0.502 182 R N 2.336 122.853 120.500 0.029 0.000 2.296 182 R HA 0.286 4.637 4.340 0.019 0.000 0.323 182 R C -0.137 176.184 176.300 0.034 0.000 1.067 182 R CA -0.301 55.814 56.100 0.026 0.000 0.946 182 R CB -0.066 30.251 30.300 0.028 0.000 0.991 182 R HN 0.610 8.880 8.270 -0.000 0.000 0.448 186 L N 3.093 124.318 121.223 0.003 0.000 2.395 186 L HA 0.087 4.438 4.340 0.019 0.000 0.218 186 L C 2.094 178.948 176.870 -0.026 0.000 1.130 186 L CA 1.155 55.983 54.840 -0.020 0.000 0.826 186 L CB -0.176 41.862 42.059 -0.035 0.000 0.941 186 L HN 0.745 8.975 8.230 -0.000 0.000 0.451 187 V N -5.470 114.434 119.914 -0.017 0.000 3.263 187 V HA 0.203 4.334 4.120 0.019 0.000 0.248 187 V C 0.260 176.348 176.094 -0.011 0.000 1.145 187 V CA 0.163 62.452 62.300 -0.017 0.000 1.107 187 V CB 0.309 32.122 31.823 -0.016 0.000 0.797 187 V HN 0.171 8.361 8.190 -0.000 0.000 0.467 188 D N 1.792 122.190 120.400 -0.004 0.000 2.346 188 D HA 0.374 5.026 4.640 0.019 0.000 0.255 188 D C -2.265 174.031 176.300 -0.007 0.000 1.276 188 D CA -2.005 51.992 54.000 -0.005 0.000 0.941 188 D CB 2.049 42.850 40.800 0.003 0.000 1.199 188 D HN 0.182 8.552 8.370 -0.000 0.000 0.537 189 P HA -0.000 4.420 4.420 -0.000 0.000 0.247 189 P C 0.894 178.182 177.300 -0.021 0.000 1.225 189 P CA 0.424 63.509 63.100 -0.025 0.000 0.768 189 P CB 0.397 32.068 31.700 -0.047 0.000 1.020 190 T N -2.241 112.306 114.554 -0.012 0.000 3.001 190 T HA 0.118 4.479 4.350 0.019 0.000 0.251 190 T C 0.698 175.399 174.700 0.002 0.000 1.040 190 T CA -0.022 62.074 62.100 -0.007 0.000 0.985 190 T CB -0.045 68.819 68.868 -0.007 0.000 1.011 190 T HN 0.001 8.241 8.240 -0.000 0.000 0.509 191 K N 1.849 122.252 120.400 0.005 0.000 2.118 191 K HA 0.380 4.712 4.320 0.019 0.000 0.267 191 K C 0.144 176.753 176.600 0.015 0.000 0.991 191 K CA -0.673 55.621 56.287 0.012 0.000 0.916 191 K CB 1.026 33.535 32.500 0.016 0.000 1.041 191 K HN 0.048 8.298 8.250 -0.000 0.000 0.455 195 K N 1.232 121.360 120.400 -0.453 0.000 2.487 195 K HA 0.253 4.585 4.320 0.019 0.000 0.192 195 K C 0.610 176.845 176.600 -0.608 0.000 1.027 195 K CA 0.840 56.572 56.287 -0.925 0.000 1.054 195 K CB -0.013 32.161 32.500 -0.543 0.000 0.824 195 K HN 0.266 8.516 8.250 -0.000 0.000 0.510 196 S N 1.042 116.565 115.700 -0.295 0.000 2.572 196 S HA 0.025 4.507 4.470 0.019 0.000 0.228 196 S C -0.294 174.280 174.600 -0.042 0.000 0.963 196 S CA -0.534 57.586 58.200 -0.132 0.000 0.939 196 S CB -0.012 63.139 63.200 -0.082 0.000 0.804 196 S HN 0.325 8.635 8.310 -0.000 0.000 0.480 197 D N 3.496 123.891 120.400 -0.008 0.000 2.401 197 D HA 0.058 4.709 4.640 0.019 0.000 0.254 197 D C -1.505 174.895 176.300 0.168 0.000 1.192 197 D CA -1.421 52.654 54.000 0.126 0.000 0.885 197 D CB 1.291 42.237 40.800 0.243 0.000 1.147 197 D HN 0.067 8.437 8.370 -0.000 0.000 0.478 198 P HA -0.152 4.268 4.420 -0.000 0.000 0.224 198 P C -0.009 177.340 177.300 0.081 0.000 1.142 198 P CA 0.841 63.984 63.100 0.072 0.000 0.778 198 P CB 0.130 31.855 31.700 0.041 0.000 0.764 199 N N -0.086 118.674 118.700 0.100 0.000 2.511 199 N HA 0.207 4.958 4.740 0.019 0.000 0.249 199 N C -1.912 173.598 175.510 -0.001 0.000 0.971 199 N CA -2.243 50.833 53.050 0.044 0.000 0.938 199 N CB 1.433 39.931 38.487 0.019 0.000 1.131 199 N HN -0.213 8.167 8.380 -0.000 0.000 0.505 200 P HA -0.172 4.248 4.420 -0.000 0.000 0.223 200 P C 0.482 177.400 177.300 -0.636 0.000 1.144 200 P CA 1.111 63.957 63.100 -0.424 0.000 0.783 200 P CB 0.234 31.821 31.700 -0.188 0.000 0.771 201 K N -0.805 119.404 120.400 -0.319 0.000 2.366 201 K HA 0.134 4.466 4.320 0.019 0.000 0.198 201 K C 1.888 178.360 176.600 -0.214 0.000 1.044 201 K CA 0.899 57.041 56.287 -0.241 0.000 0.973 201 K CB -0.310 32.115 32.500 -0.126 0.000 0.767 201 K HN 0.097 8.347 8.250 -0.000 0.000 0.475 202 A N 1.269 123.981 122.820 -0.179 0.000 2.066 202 A HA -0.070 4.261 4.320 0.019 0.000 0.218 202 A C 0.728 178.342 177.584 0.050 0.000 1.157 202 A CA 0.729 52.756 52.037 -0.016 0.000 0.670 202 A CB -0.327 18.736 19.000 0.104 0.000 0.804 202 A HN 0.378 8.528 8.150 -0.000 0.000 0.453 203 Y N -3.486 116.803 120.300 -0.019 0.000 2.605 203 Y HA 0.785 5.346 4.550 0.019 0.000 0.343 203 Y C -0.780 175.103 175.900 -0.028 0.000 1.036 203 Y CA -2.014 56.074 58.100 -0.021 0.000 1.065 203 Y CB 0.985 39.434 38.460 -0.019 0.000 1.288 203 Y HN -0.103 8.177 8.280 -0.000 0.000 0.481 204 I N 2.179 122.823 120.570 0.123 0.000 2.406 204 I HA 0.298 4.479 4.170 0.019 0.000 0.290 204 I C -0.392 175.794 176.117 0.114 0.000 0.999 204 I CA -0.634 60.692 61.300 0.044 0.000 1.124 204 I CB 2.137 40.131 38.000 -0.010 0.000 1.289 204 I HN 0.760 8.970 8.210 -0.000 0.000 0.441 205 T N 6.007 120.622 114.554 0.100 0.000 2.909 205 T HA 0.305 4.666 4.350 0.019 0.000 0.289 205 T C 1.412 176.091 174.700 -0.035 0.000 1.005 205 T CA -0.395 61.745 62.100 0.066 0.000 1.084 205 T CB 1.183 70.102 68.868 0.084 0.000 0.975 205 T HN 0.435 8.675 8.240 -0.000 0.000 0.509 206 L N 2.592 123.767 121.223 -0.081 0.000 2.353 206 L HA 0.028 4.380 4.340 0.019 0.000 0.220 206 L C 1.581 178.348 176.870 -0.171 0.000 1.133 206 L CA 1.180 55.929 54.840 -0.151 0.000 0.798 206 L CB -0.165 41.789 42.059 -0.176 0.000 0.922 206 L HN 0.579 8.809 8.230 -0.000 0.000 0.445 207 L N -1.482 119.642 121.223 -0.164 0.000 2.728 207 L HA 0.160 4.512 4.340 0.019 0.000 0.238 207 L C -0.077 176.751 176.870 -0.071 0.000 1.143 207 L CA -0.395 54.343 54.840 -0.171 0.000 0.937 207 L CB 0.069 41.961 42.059 -0.278 0.000 1.225 207 L HN 0.021 8.251 8.230 -0.000 0.000 0.507 208 D N 1.705 122.072 120.400 -0.055 0.000 2.414 208 D HA 0.081 4.732 4.640 0.019 0.000 0.242 208 D C -0.098 176.183 176.300 -0.031 0.000 1.129 208 D CA 0.086 54.065 54.000 -0.035 0.000 0.885 208 D CB 1.075 41.851 40.800 -0.040 0.000 1.198 208 D HN 0.168 8.538 8.370 -0.000 0.000 0.437 209 D N 0.022 120.411 120.400 -0.020 0.000 2.329 209 D HA 0.280 4.932 4.640 0.019 0.000 0.246 209 D C 0.897 177.179 176.300 -0.030 0.000 1.111 209 D CA -0.665 53.326 54.000 -0.016 0.000 0.941 209 D CB 0.705 41.501 40.800 -0.006 0.000 1.169 209 D HN 0.198 8.568 8.370 -0.000 0.000 0.441 210 A N 1.608 124.410 122.820 -0.030 0.000 1.958 210 A HA -0.330 4.002 4.320 0.019 0.000 0.221 210 A C 1.962 179.523 177.584 -0.038 0.000 1.178 210 A CA 2.559 54.573 52.037 -0.038 0.000 0.642 210 A CB -0.935 18.045 19.000 -0.033 0.000 0.816 210 A HN 0.766 8.916 8.150 -0.000 0.000 0.453 211 K N -1.143 119.238 120.400 -0.032 0.000 2.148 211 K HA -0.076 4.255 4.320 0.019 0.000 0.204 211 K C 1.736 178.314 176.600 -0.037 0.000 1.050 211 K CA 1.903 58.171 56.287 -0.031 0.000 0.942 211 K CB -0.351 32.134 32.500 -0.024 0.000 0.724 211 K HN 0.365 8.615 8.250 -0.000 0.000 0.446 212 T N 0.920 115.449 114.554 -0.041 0.000 2.896 212 T HA 0.074 4.435 4.350 0.019 0.000 0.263 212 T C 1.724 176.386 174.700 -0.063 0.000 1.050 212 T CA 1.076 63.145 62.100 -0.052 0.000 1.140 212 T CB -0.099 68.739 68.868 -0.051 0.000 0.877 212 T HN 0.149 8.389 8.240 -0.000 0.000 0.457 213 I N 1.010 121.544 120.570 -0.061 0.000 2.226 213 I HA -0.170 4.012 4.170 0.019 0.000 0.245 213 I C 2.674 178.749 176.117 -0.070 0.000 1.100 213 I CA 1.400 62.659 61.300 -0.070 0.000 1.374 213 I CB -0.296 37.660 38.000 -0.072 0.000 1.057 213 I HN 0.296 8.506 8.210 -0.000 0.000 0.413 214 E N 1.199 121.362 120.200 -0.061 0.000 2.007 214 E HA -0.237 4.124 4.350 0.019 0.000 0.194 214 E C 2.239 178.809 176.600 -0.050 0.000 0.999 214 E CA 1.251 57.618 56.400 -0.055 0.000 0.811 214 E CB 0.064 29.738 29.700 -0.044 0.000 0.762 214 E HN 0.222 8.582 8.360 -0.000 0.000 0.450 215 K N 0.379 120.752 120.400 -0.046 0.000 2.127 215 K HA -0.213 4.119 4.320 0.019 0.000 0.208 215 K C 2.069 178.638 176.600 -0.052 0.000 1.047 215 K CA 1.323 57.584 56.287 -0.043 0.000 0.927 215 K CB -0.033 32.441 32.500 -0.042 0.000 0.716 215 K HN 0.065 8.315 8.250 -0.000 0.000 0.450 216 K N 0.079 120.440 120.400 -0.066 0.000 2.167 216 K HA 0.007 4.339 4.320 0.019 0.000 0.203 216 K C 2.000 178.560 176.600 -0.067 0.000 1.052 216 K CA 0.532 56.773 56.287 -0.077 0.000 0.956 216 K CB 0.115 32.554 32.500 -0.101 0.000 0.735 216 K HN 0.064 8.314 8.250 -0.000 0.000 0.451 217 I N 1.597 122.127 120.570 -0.066 0.000 2.439 217 I HA -0.182 3.999 4.170 0.019 0.000 0.251 217 I C 1.784 177.873 176.117 -0.046 0.000 1.139 217 I CA 1.367 62.627 61.300 -0.067 0.000 1.438 217 I CB -0.530 37.414 38.000 -0.092 0.000 1.085 217 I HN 0.124 8.334 8.210 -0.000 0.000 0.427 218 K N 0.487 120.865 120.400 -0.037 0.000 2.217 218 K HA 0.009 4.340 4.320 0.019 0.000 0.202 218 K C 1.093 177.687 176.600 -0.010 0.000 1.051 218 K CA 0.352 56.630 56.287 -0.015 0.000 0.952 218 K CB 0.147 32.640 32.500 -0.012 0.000 0.736 218 K HN 0.244 8.494 8.250 -0.000 0.000 0.453 225 E N 1.242 121.477 120.200 0.059 0.000 2.256 225 E HA 0.340 4.702 4.350 0.019 0.000 0.198 225 E C 1.260 177.807 176.600 -0.089 0.000 0.908 225 E CA 0.938 57.347 56.400 0.014 0.000 0.915 225 E CB 0.255 29.989 29.700 0.057 0.000 0.890 225 E HN 0.532 8.892 8.360 -0.000 0.000 0.484 226 G N 1.183 109.835 108.800 -0.246 0.000 2.147 226 G HA2 -0.213 3.759 3.960 0.019 0.000 0.244 226 G HA3 -0.213 3.759 3.960 0.019 0.000 0.244 226 G C 0.033 174.620 174.900 -0.522 0.000 1.005 226 G CA 0.732 45.380 45.100 -0.755 0.000 0.713 226 G HN 0.287 8.577 8.290 -0.000 0.000 0.515 227 T N 1.279 115.735 114.554 -0.164 0.000 2.809 227 T HA 0.541 4.903 4.350 0.019 0.000 0.284 227 T C 0.482 175.237 174.700 0.092 0.000 0.992 227 T CA -0.592 61.490 62.100 -0.031 0.000 0.957 227 T CB 1.314 70.174 68.868 -0.015 0.000 0.942 227 T HN 0.226 8.466 8.240 -0.000 0.000 0.439 228 I N 4.172 124.755 120.570 0.023 0.000 2.293 228 I HA 0.405 4.587 4.170 0.019 0.000 0.299 228 I C 0.441 176.508 176.117 -0.084 0.000 1.153 228 I CA -0.040 61.199 61.300 -0.101 0.000 1.302 228 I CB -0.666 37.171 38.000 -0.272 0.000 1.460 228 I HN 0.425 8.635 8.210 -0.000 0.000 0.552 229 R N 4.066 124.528 120.500 -0.063 0.000 2.668 229 R HA 0.418 4.770 4.340 0.019 0.000 0.272 229 R C -1.005 175.295 176.300 0.001 0.000 1.019 229 R CA -0.672 55.423 56.100 -0.008 0.000 0.894 229 R CB 2.022 32.330 30.300 0.013 0.000 1.228 229 R HN 0.289 8.559 8.270 -0.000 0.000 0.460 238 I N 2.913 123.341 120.570 -0.237 0.000 2.315 238 I HA -0.049 4.133 4.170 0.019 0.000 0.248 238 I C 2.673 178.658 176.117 -0.220 0.000 1.117 238 I CA 1.892 63.022 61.300 -0.283 0.000 1.404 238 I CB -0.828 36.949 38.000 -0.372 0.000 1.071 238 I HN 0.194 8.404 8.210 -0.000 0.000 0.419 239 S N 0.880 116.390 115.700 -0.318 0.000 2.402 239 S HA -0.165 4.317 4.470 0.019 0.000 0.229 239 S C 1.761 176.250 174.600 -0.185 0.000 1.021 239 S CA 1.260 59.153 58.200 -0.513 0.000 0.974 239 S CB -0.389 62.144 63.200 -1.111 0.000 0.800 239 S HN 0.457 8.767 8.310 -0.000 0.000 0.484 240 N N 1.541 120.175 118.700 -0.111 0.000 2.106 240 N HA -0.017 4.735 4.740 0.019 0.000 0.188 240 N C 1.496 177.043 175.510 0.063 0.000 1.029 240 N CA 0.847 53.895 53.050 -0.004 0.000 0.848 240 N CB -0.485 37.990 38.487 -0.019 0.000 1.007 240 N HN 0.104 8.484 8.380 -0.000 0.000 0.423 241 L N 0.702 121.965 121.223 0.068 0.000 2.127 241 L HA -0.043 4.308 4.340 0.019 0.000 0.211 241 L C 2.038 179.099 176.870 0.317 0.000 1.089 241 L CA 1.157 56.099 54.840 0.171 0.000 0.757 241 L CB -0.969 41.241 42.059 0.252 0.000 0.899 241 L HN 0.319 8.549 8.230 -0.000 0.000 0.434 242 L N -1.220 120.176 121.223 0.288 0.000 2.240 242 L HA -0.123 4.229 4.340 0.019 0.000 0.211 242 L C 2.180 179.220 176.870 0.283 0.000 1.106 242 L CA 0.424 55.463 54.840 0.333 0.000 0.793 242 L CB -0.306 41.892 42.059 0.232 0.000 0.927 242 L HN 0.321 8.551 8.230 -0.000 0.000 0.446 243 N N 0.165 119.009 118.700 0.239 0.000 2.207 243 N HA -0.037 4.715 4.740 0.019 0.000 0.182 243 N C 1.901 177.506 175.510 0.158 0.000 1.020 243 N CA 1.134 54.301 53.050 0.195 0.000 0.858 243 N CB 0.045 38.638 38.487 0.177 0.000 0.991 243 N HN 0.239 8.619 8.380 -0.000 0.000 0.427 244 I N 0.036 120.693 120.570 0.144 0.000 2.179 244 I HA -0.306 3.875 4.170 0.019 0.000 0.242 244 I C 2.148 178.347 176.117 0.137 0.000 1.088 244 I CA 1.078 62.440 61.300 0.104 0.000 1.357 244 I CB -0.362 37.672 38.000 0.057 0.000 1.051 244 I HN 0.074 8.284 8.210 -0.000 0.000 0.409 245 Y N 1.288 121.609 120.300 0.035 0.000 2.070 245 Y HA -0.335 4.226 4.550 0.019 0.000 0.280 245 Y C 3.071 179.009 175.900 0.063 0.000 1.148 245 Y CA 1.568 59.681 58.100 0.021 0.000 1.125 245 Y CB -0.880 37.594 38.460 0.024 0.000 0.975 245 Y HN 0.136 8.416 8.280 -0.000 0.000 0.492 246 S N -1.082 114.821 115.700 0.338 0.000 2.372 246 S HA -0.249 4.233 4.470 0.019 0.000 0.227 246 S C 2.066 176.758 174.600 0.154 0.000 1.044 246 S CA 2.836 61.155 58.200 0.199 0.000 1.050 246 S CB -0.855 62.425 63.200 0.135 0.000 0.901 246 S HN 0.749 9.059 8.310 -0.000 0.000 0.447 247 T N 0.153 114.784 114.554 0.129 0.000 2.896 247 T HA 0.186 4.547 4.350 0.019 0.000 0.263 247 T C 1.904 176.655 174.700 0.084 0.000 1.050 247 T CA 0.846 62.994 62.100 0.080 0.000 1.140 247 T CB -0.514 68.381 68.868 0.045 0.000 0.877 247 T HN 0.374 8.614 8.240 -0.000 0.000 0.457 248 L N 1.828 123.113 121.223 0.103 0.000 2.291 248 L HA 0.045 4.396 4.340 0.019 0.000 0.214 248 L C 2.981 179.904 176.870 0.089 0.000 1.120 248 L CA 1.370 56.265 54.840 0.092 0.000 0.799 248 L CB -0.512 41.574 42.059 0.044 0.000 0.925 248 L HN 0.536 8.766 8.230 -0.000 0.000 0.446 249 S N -1.449 114.333 115.700 0.137 0.000 2.502 249 S HA 0.150 4.631 4.470 0.019 0.000 0.228 249 S C 1.555 176.229 174.600 0.124 0.000 1.061 249 S CA 0.656 58.952 58.200 0.159 0.000 0.935 249 S CB 0.907 64.296 63.200 0.315 0.000 0.809 249 S HN 0.423 8.733 8.310 -0.000 0.000 0.510 250 G N 0.942 109.808 108.800 0.111 0.000 2.179 250 G HA2 -0.169 3.803 3.960 0.019 0.000 0.220 250 G HA3 -0.169 3.803 3.960 0.019 0.000 0.220 250 G C -0.204 174.738 174.900 0.071 0.000 0.990 250 G CA 0.049 45.196 45.100 0.077 0.000 0.646 250 G HN 0.659 8.949 8.290 -0.000 0.000 0.517 251 Q N 1.078 120.932 119.800 0.090 0.000 2.227 251 Q HA 0.605 4.956 4.340 0.019 0.000 0.245 251 Q C 0.826 176.856 176.000 0.050 0.000 0.926 251 Q CA 0.037 55.879 55.803 0.065 0.000 0.895 251 Q CB 1.588 30.366 28.738 0.067 0.000 1.230 251 Q HN 0.642 8.912 8.270 -0.000 0.000 0.450 252 S N 0.721 116.439 115.700 0.030 0.000 2.606 252 S HA 0.186 4.667 4.470 0.019 0.000 0.257 252 S C 1.042 175.652 174.600 0.017 0.000 1.327 252 S CA -0.506 57.703 58.200 0.015 0.000 0.984 252 S CB 0.388 63.590 63.200 0.003 0.000 0.941 252 S HN 0.643 8.953 8.310 -0.000 0.000 0.576 253 I N 1.100 121.671 120.570 0.002 0.000 2.584 253 I HA -0.097 4.085 4.170 0.019 0.000 0.255 253 I C 2.553 178.680 176.117 0.017 0.000 1.145 253 I CA 1.161 62.470 61.300 0.016 0.000 1.462 253 I CB -0.534 37.459 38.000 -0.011 0.000 1.102 253 I HN 0.849 9.059 8.210 -0.000 0.000 0.433 254 E N 1.142 121.341 120.200 -0.002 0.000 2.150 254 E HA -0.254 4.108 4.350 0.019 0.000 0.193 254 E C 1.906 178.514 176.600 0.012 0.000 0.985 254 E CA 0.990 57.392 56.400 0.005 0.000 0.814 254 E CB -0.353 29.343 29.700 -0.006 0.000 0.752 254 E HN 0.453 8.813 8.360 -0.000 0.000 0.466 255 E N 1.000 121.206 120.200 0.011 0.000 2.077 255 E HA -0.169 4.193 4.350 0.019 0.000 0.193 255 E C 2.063 178.675 176.600 0.019 0.000 0.989 255 E CA 1.062 57.469 56.400 0.011 0.000 0.800 255 E CB -0.022 29.686 29.700 0.013 0.000 0.746 255 E HN 0.347 8.707 8.360 -0.000 0.000 0.452 256 L N 0.334 121.575 121.223 0.029 0.000 2.156 256 L HA -0.114 4.238 4.340 0.019 0.000 0.208 256 L C 2.321 179.272 176.870 0.136 0.000 1.095 256 L CA 0.892 55.774 54.840 0.070 0.000 0.770 256 L CB -0.209 41.849 42.059 -0.002 0.000 0.914 256 L HN 0.149 8.379 8.230 -0.000 0.000 0.439 257 E N -0.162 120.080 120.200 0.069 0.000 2.106 257 E HA -0.187 4.175 4.350 0.019 0.000 0.192 257 E C 2.317 178.953 176.600 0.060 0.000 0.984 257 E CA 0.829 57.263 56.400 0.057 0.000 0.806 257 E CB 0.139 29.861 29.700 0.036 0.000 0.750 257 E HN 0.349 8.709 8.360 -0.000 0.000 0.458 258 R N 0.370 120.893 120.500 0.038 0.000 2.064 258 R HA -0.146 4.205 4.340 0.019 0.000 0.228 258 R C 2.489 178.785 176.300 -0.007 0.000 1.144 258 R CA 1.511 57.619 56.100 0.013 0.000 0.932 258 R CB -0.300 30.000 30.300 -0.000 0.000 0.833 258 R HN 0.129 8.399 8.270 -0.000 0.000 0.429 259 Q N -0.178 119.599 119.800 -0.038 0.000 2.242 259 Q HA -0.213 4.139 4.340 0.019 0.000 0.211 259 Q C 0.159 175.977 176.000 -0.303 0.000 0.992 259 Q CA 1.701 57.400 55.803 -0.174 0.000 0.889 259 Q CB 0.057 28.664 28.738 -0.218 0.000 0.913 259 Q HN 0.444 8.714 8.270 -0.000 0.000 0.422 260 Y N -0.331 119.979 120.300 0.017 0.000 2.774 260 Y HA 0.135 4.696 4.550 0.018 0.000 0.305 260 Y C 1.069 176.965 175.900 -0.007 0.000 1.067 260 Y CA -0.359 57.758 58.100 0.028 0.000 1.304 260 Y CB 0.427 38.908 38.460 0.034 0.000 1.209 260 Y HN 0.188 8.468 8.280 -0.000 0.000 0.543 261 E N 1.239 121.483 120.200 0.073 0.000 2.013 261 E HA -0.164 4.198 4.350 0.019 0.000 0.202 261 E C 2.157 178.778 176.600 0.034 0.000 1.018 261 E CA 1.990 58.415 56.400 0.041 0.000 0.834 261 E CB -0.466 29.242 29.700 0.013 0.000 0.770 261 E HN 0.420 8.780 8.360 -0.000 0.000 0.459 262 G N 0.406 109.223 108.800 0.027 0.000 3.448 262 G HA2 0.100 4.071 3.960 0.019 0.000 0.261 262 G HA3 0.100 4.071 3.960 0.019 0.000 0.261 262 G C -0.247 174.670 174.900 0.028 0.000 1.173 262 G CA -0.436 44.673 45.100 0.015 0.000 0.835 262 G HN 0.013 8.303 8.290 -0.000 0.000 0.534 263 K N 0.425 120.869 120.400 0.074 0.000 2.095 263 K HA 0.545 4.876 4.320 0.019 0.000 0.252 263 K C 0.404 177.042 176.600 0.063 0.000 0.977 263 K CA -0.592 55.767 56.287 0.120 0.000 0.900 263 K CB 1.946 34.615 32.500 0.282 0.000 1.060 263 K HN 0.058 8.308 8.250 -0.000 0.000 0.449 264 G N 0.012 108.841 108.800 0.048 0.000 2.557 264 G HA2 0.184 4.156 3.960 0.019 0.000 0.302 264 G HA3 0.184 4.156 3.960 0.019 0.000 0.302 264 G C 0.016 174.970 174.900 0.090 0.000 1.311 264 G CA -0.338 44.718 45.100 -0.073 0.000 1.030 264 G HN 0.495 8.785 8.290 -0.000 0.000 0.509 265 Y N 0.417 120.749 120.300 0.053 0.000 2.373 265 Y HA 0.040 4.602 4.550 0.020 0.000 0.293 265 Y C 2.800 178.783 175.900 0.139 0.000 1.129 265 Y CA 0.370 58.526 58.100 0.093 0.000 1.226 265 Y CB -1.001 37.491 38.460 0.053 0.000 1.000 265 Y HN 0.490 8.770 8.280 -0.000 0.000 0.549 266 G N 0.519 109.459 108.800 0.235 0.000 2.459 266 G HA2 -0.246 3.725 3.960 0.019 0.000 0.217 266 G HA3 -0.246 3.725 3.960 0.019 0.000 0.217 266 G C 1.817 176.816 174.900 0.164 0.000 1.183 266 G CA 2.226 47.423 45.100 0.162 0.000 0.776 266 G HN 0.368 8.658 8.290 -0.000 0.000 0.552 267 V N -1.949 118.085 119.914 0.200 0.000 2.427 267 V HA 0.026 4.158 4.120 0.019 0.000 0.248 267 V C 2.419 178.690 176.094 0.294 0.000 1.051 267 V CA 1.768 64.207 62.300 0.232 0.000 1.048 267 V CB -0.844 31.139 31.823 0.266 0.000 0.666 267 V HN 0.201 8.391 8.190 -0.000 0.000 0.456 268 F N 1.893 121.913 119.950 0.117 0.000 2.102 268 F HA -0.039 4.499 4.527 0.018 0.000 0.298 268 F C 2.398 178.205 175.800 0.010 0.000 1.105 268 F CA 2.169 60.101 58.000 -0.114 0.000 1.239 268 F CB -0.331 38.492 39.000 -0.296 0.000 0.991 268 F HN 0.037 8.337 8.300 -0.000 0.000 0.474 269 K N 0.035 120.453 120.400 0.029 0.000 2.097 269 K HA -0.113 4.219 4.320 0.019 0.000 0.206 269 K C 2.274 178.811 176.600 -0.105 0.000 1.049 269 K CA 1.135 57.376 56.287 -0.078 0.000 0.933 269 K CB -0.501 32.022 32.500 0.039 0.000 0.717 269 K HN 0.358 8.608 8.250 -0.000 0.000 0.442 270 A N 1.706 124.513 122.820 -0.022 0.000 1.898 270 A HA -0.177 4.155 4.320 0.019 0.000 0.216 270 A C 1.645 179.199 177.584 -0.050 0.000 1.181 270 A CA 1.664 53.690 52.037 -0.019 0.000 0.620 270 A CB -0.301 18.719 19.000 0.034 0.000 0.819 270 A HN 0.138 8.288 8.150 -0.000 0.000 0.442 271 D N -0.571 119.817 120.400 -0.020 0.000 2.144 271 D HA -0.103 4.548 4.640 0.019 0.000 0.200 271 D C 1.815 177.943 176.300 -0.287 0.000 0.978 271 D CA 1.138 55.134 54.000 -0.007 0.000 0.833 271 D CB -0.175 40.800 40.800 0.292 0.000 0.961 271 D HN 0.374 8.744 8.370 -0.000 0.000 0.470 272 L N 0.588 121.522 121.223 -0.481 0.000 2.131 272 L HA 0.115 4.466 4.340 0.019 0.000 0.206 272 L C 2.016 178.641 176.870 -0.408 0.000 1.087 272 L CA 1.425 55.831 54.840 -0.723 0.000 0.767 272 L CB -0.659 40.969 42.059 -0.719 0.000 0.917 272 L HN -0.070 8.160 8.230 -0.000 0.000 0.441 273 A N -1.086 121.578 122.820 -0.260 0.000 2.019 273 A HA -0.176 4.156 4.320 0.019 0.000 0.219 273 A C 2.132 179.624 177.584 -0.152 0.000 1.164 273 A CA 1.437 53.371 52.037 -0.171 0.000 0.644 273 A CB -0.424 18.507 19.000 -0.115 0.000 0.805 273 A HN 0.569 8.719 8.150 -0.000 0.000 0.449 274 Q N -0.706 118.998 119.800 -0.161 0.000 2.137 274 Q HA -0.052 4.299 4.340 0.019 0.000 0.198 274 Q C 2.419 178.337 176.000 -0.136 0.000 0.960 274 Q CA 1.619 57.350 55.803 -0.120 0.000 0.847 274 Q CB -0.893 27.795 28.738 -0.084 0.000 0.915 274 Q HN 0.683 8.953 8.270 -0.000 0.000 0.448 275 V N -1.229 118.558 119.914 -0.213 0.000 2.548 275 V HA -0.104 4.028 4.120 0.019 0.000 0.249 275 V C 2.023 178.024 176.094 -0.154 0.000 1.055 275 V CA 1.188 63.373 62.300 -0.192 0.000 1.065 275 V CB -0.420 31.227 31.823 -0.293 0.000 0.681 275 V HN 0.068 8.258 8.190 -0.000 0.000 0.462 276 V N 0.285 120.093 119.914 -0.176 0.000 2.283 276 V HA -0.151 3.980 4.120 0.019 0.000 0.243 276 V C 2.502 178.531 176.094 -0.109 0.000 1.039 276 V CA 2.535 64.756 62.300 -0.132 0.000 1.016 276 V CB -0.484 31.259 31.823 -0.133 0.000 0.650 276 V HN 0.495 8.685 8.190 -0.000 0.000 0.449 277 I N -0.164 120.344 120.570 -0.103 0.000 2.208 277 I HA -0.234 3.948 4.170 0.019 0.000 0.245 277 I C 2.548 178.623 176.117 -0.070 0.000 1.097 277 I CA 1.434 62.686 61.300 -0.080 0.000 1.363 277 I CB -0.213 37.745 38.000 -0.070 0.000 1.051 277 I HN 0.261 8.471 8.210 -0.000 0.000 0.413 278 E N 0.036 120.195 120.200 -0.069 0.000 2.204 278 E HA -0.144 4.217 4.350 0.019 0.000 0.194 278 E C 2.178 178.748 176.600 -0.049 0.000 0.989 278 E CA 1.242 57.612 56.400 -0.051 0.000 0.824 278 E CB -0.270 29.403 29.700 -0.045 0.000 0.756 278 E HN 0.387 8.747 8.360 -0.000 0.000 0.477 279 T N -0.062 114.452 114.554 -0.067 0.000 2.978 279 T HA 0.073 4.435 4.350 0.019 0.000 0.262 279 T C 1.609 176.230 174.700 -0.132 0.000 1.063 279 T CA 0.526 62.580 62.100 -0.078 0.000 1.140 279 T CB 0.094 68.919 68.868 -0.071 0.000 0.886 279 T HN 0.111 8.351 8.240 -0.000 0.000 0.470 280 L N 0.101 121.244 121.223 -0.132 0.000 2.585 280 L HA 0.305 4.657 4.340 0.019 0.000 0.226 280 L C 2.616 179.443 176.870 -0.072 0.000 1.113 280 L CA 0.100 54.855 54.840 -0.141 0.000 0.876 280 L CB -0.310 41.665 42.059 -0.141 0.000 1.072 280 L HN 0.067 8.297 8.230 -0.000 0.000 0.468 281 R N 1.095 121.565 120.500 -0.050 0.000 2.073 281 R HA -0.107 4.245 4.340 0.019 0.000 0.234 281 R C -0.400 175.901 176.300 0.003 0.000 1.134 281 R CA 1.537 57.625 56.100 -0.020 0.000 0.952 281 R CB -0.856 29.431 30.300 -0.023 0.000 0.850 281 R HN 0.255 8.525 8.270 -0.000 0.000 0.433 282 P HA -0.124 4.296 4.420 -0.000 0.000 0.214 282 P C 1.531 178.859 177.300 0.045 0.000 1.162 282 P CA 1.283 64.394 63.100 0.018 0.000 0.874 282 P CB -0.194 31.513 31.700 0.011 0.000 0.784 283 I N 0.052 120.631 120.570 0.015 0.000 2.145 283 I HA -0.292 3.890 4.170 0.019 0.000 0.244 283 I C 2.591 178.771 176.117 0.104 0.000 1.075 283 I CA 1.761 63.076 61.300 0.026 0.000 1.332 283 I CB -0.896 37.046 38.000 -0.097 0.000 1.033 283 I HN 0.042 8.252 8.210 -0.000 0.000 0.410 284 Q N 0.032 119.887 119.800 0.093 0.000 2.297 284 Q HA -0.185 4.167 4.340 0.019 0.000 0.204 284 Q C 1.978 178.209 176.000 0.384 0.000 0.962 284 Q CA 0.907 56.833 55.803 0.205 0.000 0.879 284 Q CB 0.027 28.855 28.738 0.151 0.000 0.947 284 Q HN 0.405 8.675 8.270 -0.000 0.000 0.462 285 E N 0.775 121.114 120.200 0.231 0.000 2.076 285 E HA -0.058 4.304 4.350 0.019 0.000 0.190 285 E C 1.816 178.546 176.600 0.215 0.000 0.979 285 E CA 0.918 57.437 56.400 0.197 0.000 0.807 285 E CB 0.090 29.832 29.700 0.072 0.000 0.761 285 E HN 0.218 8.578 8.360 -0.000 0.000 0.454 286 R N -0.616 120.006 120.500 0.204 0.000 2.075 286 R HA -0.127 4.224 4.340 0.019 0.000 0.232 286 R C 2.298 178.818 176.300 0.367 0.000 1.126 286 R CA 1.254 57.490 56.100 0.227 0.000 0.963 286 R CB -0.567 29.897 30.300 0.273 0.000 0.858 286 R HN 0.223 8.493 8.270 -0.000 0.000 0.435 287 Y N 1.447 121.901 120.300 0.258 0.000 2.069 287 Y HA -0.347 4.215 4.550 0.019 0.000 0.278 287 Y C 1.980 177.943 175.900 0.105 0.000 1.175 287 Y CA 2.039 60.239 58.100 0.167 0.000 1.134 287 Y CB -0.552 37.889 38.460 -0.031 0.000 0.965 287 Y HN 0.140 8.420 8.280 -0.000 0.000 0.498 288 H N -2.483 116.629 119.070 0.070 0.000 2.389 288 H HA -0.108 4.460 4.556 0.019 0.000 0.299 288 H C 2.004 177.325 175.328 -0.013 0.000 1.081 288 H CA 1.787 57.816 56.048 -0.031 0.000 1.345 288 H CB -0.283 29.538 29.762 0.098 0.000 1.393 288 H HN 0.435 8.715 8.280 -0.000 0.000 0.520 289 H N -0.807 118.270 119.070 0.011 0.000 2.423 289 H HA -0.047 4.520 4.556 0.019 0.000 0.297 289 H C 0.280 175.495 175.328 -0.189 0.000 1.075 289 H CA 0.533 56.507 56.048 -0.123 0.000 1.342 289 H CB -0.075 29.556 29.762 -0.219 0.000 1.395 289 H HN 0.269 8.549 8.280 -0.000 0.000 0.530 293 S N 1.118 116.703 115.700 -0.191 0.000 2.562 293 S HA 0.013 4.495 4.470 0.019 0.000 0.281 293 S C 0.983 175.536 174.600 -0.078 0.000 1.333 293 S CA 0.106 58.176 58.200 -0.217 0.000 1.052 293 S CB 1.251 64.263 63.200 -0.313 0.000 0.884 293 S HN 0.410 8.720 8.310 -0.000 0.000 0.506 294 E N 2.167 122.326 120.200 -0.068 0.000 2.338 294 E HA -0.139 4.223 4.350 0.019 0.000 0.197 294 E C 1.295 177.904 176.600 0.015 0.000 1.007 294 E CA 0.936 57.324 56.400 -0.021 0.000 0.849 294 E CB 0.072 29.759 29.700 -0.022 0.000 0.774 294 E HN 0.796 9.156 8.360 -0.000 0.000 0.506 295 E N -0.074 120.143 120.200 0.028 0.000 2.463 295 E HA -0.034 4.327 4.350 0.019 0.000 0.193 295 E C 1.633 178.369 176.600 0.225 0.000 1.041 295 E CA -0.198 56.261 56.400 0.099 0.000 0.879 295 E CB 0.254 29.997 29.700 0.071 0.000 0.997 295 E HN 0.237 8.597 8.360 -0.000 0.000 0.478 296 L N 0.786 122.134 121.223 0.208 0.000 2.049 296 L HA -0.054 4.298 4.340 0.019 0.000 0.203 296 L C 1.444 178.355 176.870 0.069 0.000 1.074 296 L CA 1.807 56.763 54.840 0.193 0.000 0.749 296 L CB -0.164 41.991 42.059 0.159 0.000 0.907 296 L HN 0.003 8.233 8.230 -0.000 0.000 0.439 297 D N -0.346 120.084 120.400 0.050 0.000 2.228 297 D HA -0.206 4.446 4.640 0.019 0.000 0.203 297 D C 2.178 178.501 176.300 0.039 0.000 0.988 297 D CA 0.804 54.822 54.000 0.030 0.000 0.864 297 D CB -0.209 40.605 40.800 0.023 0.000 0.928 297 D HN 0.331 8.701 8.370 -0.000 0.000 0.469 298 R N 0.599 121.134 120.500 0.059 0.000 2.161 298 R HA -0.018 4.333 4.340 0.019 0.000 0.213 298 R C 1.643 177.980 176.300 0.062 0.000 1.055 298 R CA 0.482 56.617 56.100 0.059 0.000 0.996 298 R CB 0.108 30.447 30.300 0.066 0.000 0.901 298 R HN 0.068 8.338 8.270 -0.000 0.000 0.456 299 V N 0.988 120.943 119.914 0.068 0.000 3.052 299 V HA -0.085 4.046 4.120 0.019 0.000 0.254 299 V C 2.124 178.231 176.094 0.021 0.000 1.100 299 V CA 0.815 63.144 62.300 0.047 0.000 1.112 299 V CB -0.066 31.770 31.823 0.022 0.000 0.738 299 V HN 0.205 8.395 8.190 -0.000 0.000 0.469 300 L N -0.598 120.636 121.223 0.018 0.000 2.162 300 L HA -0.027 4.325 4.340 0.019 0.000 0.205 300 L C 2.250 179.156 176.870 0.059 0.000 1.086 300 L CA 1.057 55.918 54.840 0.035 0.000 0.778 300 L CB -0.514 41.554 42.059 0.014 0.000 0.928 300 L HN 0.239 8.469 8.230 -0.000 0.000 0.446 301 D N 0.222 120.650 120.400 0.046 0.000 2.092 301 D HA -0.247 4.405 4.640 0.019 0.000 0.193 301 D C 2.025 178.352 176.300 0.045 0.000 0.994 301 D CA 1.244 55.272 54.000 0.046 0.000 0.828 301 D CB -0.057 40.765 40.800 0.037 0.000 0.963 301 D HN 0.297 8.667 8.370 -0.000 0.000 0.450 302 E N 0.149 120.374 120.200 0.041 0.000 2.204 302 E HA -0.125 4.237 4.350 0.019 0.000 0.195 302 E C 1.917 178.534 176.600 0.029 0.000 0.990 302 E CA 1.116 57.536 56.400 0.033 0.000 0.821 302 E CB -0.116 29.605 29.700 0.034 0.000 0.750 302 E HN 0.288 8.648 8.360 -0.000 0.000 0.477 303 G N 0.364 109.193 108.800 0.048 0.000 2.426 303 G HA2 -0.059 3.913 3.960 0.019 0.000 0.214 303 G HA3 -0.059 3.913 3.960 0.019 0.000 0.214 303 G C 1.604 176.535 174.900 0.052 0.000 1.156 303 G CA 0.581 45.718 45.100 0.063 0.000 0.802 303 G HN 0.349 8.639 8.290 -0.000 0.000 0.534 304 A N 0.920 123.800 122.820 0.099 0.000 1.898 304 A HA 0.056 4.388 4.320 0.019 0.000 0.216 304 A C 2.059 179.660 177.584 0.028 0.000 1.181 304 A CA 1.857 53.956 52.037 0.102 0.000 0.620 304 A CB -0.375 18.702 19.000 0.127 0.000 0.819 304 A HN 0.392 8.542 8.150 -0.000 0.000 0.442 305 E N 0.122 120.338 120.200 0.027 0.000 2.049 305 E HA -0.224 4.138 4.350 0.019 0.000 0.198 305 E C 2.084 178.685 176.600 0.000 0.000 1.007 305 E CA 1.716 58.127 56.400 0.017 0.000 0.809 305 E CB -0.112 29.599 29.700 0.019 0.000 0.749 305 E HN 0.583 8.943 8.360 -0.000 0.000 0.450 306 K N 0.218 120.607 120.400 -0.018 0.000 2.009 306 K HA -0.167 4.164 4.320 0.019 0.000 0.210 306 K C 2.280 178.869 176.600 -0.017 0.000 1.049 306 K CA 1.223 57.497 56.287 -0.022 0.000 0.929 306 K CB -0.291 32.178 32.500 -0.050 0.000 0.714 306 K HN 0.078 8.328 8.250 -0.000 0.000 0.440 307 A N 2.045 124.790 122.820 -0.126 0.000 1.865 307 A HA -0.244 4.087 4.320 0.019 0.000 0.217 307 A C 1.969 179.580 177.584 0.045 0.000 1.191 307 A CA 2.051 53.995 52.037 -0.155 0.000 0.623 307 A CB -0.961 17.549 19.000 -0.816 0.000 0.826 307 A HN 0.383 8.533 8.150 -0.000 0.000 0.444 308 N N -1.021 117.693 118.700 0.023 0.000 2.061 308 N HA -0.193 4.558 4.740 0.019 0.000 0.193 308 N C 2.052 177.579 175.510 0.028 0.000 1.030 308 N CA 1.518 54.596 53.050 0.047 0.000 0.856 308 N CB -0.166 38.349 38.487 0.046 0.000 1.023 308 N HN 0.424 8.804 8.380 -0.000 0.000 0.424 309 R N 0.337 120.852 120.500 0.026 0.000 2.132 309 R HA -0.185 4.167 4.340 0.019 0.000 0.233 309 R C 2.071 178.382 176.300 0.019 0.000 1.125 309 R CA 1.991 58.103 56.100 0.020 0.000 0.914 309 R CB -0.882 29.433 30.300 0.025 0.000 0.845 309 R HN 0.120 8.390 8.270 -0.000 0.000 0.431 310 V N 0.707 120.656 119.914 0.058 0.000 2.255 310 V HA -0.290 3.842 4.120 0.019 0.000 0.247 310 V C 2.496 178.566 176.094 -0.040 0.000 1.051 310 V CA 2.130 64.468 62.300 0.062 0.000 1.018 310 V CB -0.997 30.950 31.823 0.205 0.000 0.641 310 V HN 0.527 8.717 8.190 -0.000 0.000 0.445 311 A N -0.554 122.230 122.820 -0.060 0.000 1.902 311 A HA -0.200 4.131 4.320 0.019 0.000 0.217 311 A C 2.488 179.964 177.584 -0.179 0.000 1.181 311 A CA 2.146 54.027 52.037 -0.261 0.000 0.623 311 A CB -0.778 18.049 19.000 -0.288 0.000 0.818 311 A HN 0.482 8.632 8.150 -0.000 0.000 0.443 312 S N -0.442 115.205 115.700 -0.088 0.000 2.383 312 S HA -0.090 4.392 4.470 0.019 0.000 0.229 312 S C 1.211 175.763 174.600 -0.080 0.000 1.030 312 S CA 1.209 59.369 58.200 -0.067 0.000 1.002 312 S CB -0.243 62.939 63.200 -0.030 0.000 0.829 312 S HN 0.705 9.015 8.310 -0.000 0.000 0.467 316 R N 1.345 121.793 120.500 -0.087 0.000 2.103 316 R HA -0.112 4.239 4.340 0.019 0.000 0.242 316 R C 1.151 177.406 176.300 -0.076 0.000 1.142 316 R CA 1.503 57.563 56.100 -0.067 0.000 0.960 316 R CB -0.054 30.211 30.300 -0.058 0.000 0.858 316 R HN 0.456 8.726 8.270 -0.000 0.000 0.439 320 Q N 2.494 122.258 119.800 -0.060 0.000 2.050 320 Q HA 0.008 4.360 4.340 0.019 0.000 0.202 320 Q C 1.037 176.992 176.000 -0.074 0.000 0.980 320 Q CA 1.735 57.507 55.803 -0.053 0.000 0.840 320 Q CB -0.090 28.622 28.738 -0.043 0.000 0.898 320 Q HN 0.254 8.524 8.270 -0.000 0.000 0.424 324 L N 1.174 122.388 121.223 -0.014 0.000 2.326 324 L HA 0.588 4.939 4.340 0.019 0.000 0.278 324 L C 1.583 178.453 176.870 0.001 0.000 1.092 324 L CA 0.629 55.473 54.840 0.007 0.000 0.810 324 L CB 1.068 43.139 42.059 0.020 0.000 1.153 324 L HN 0.480 8.710 8.230 -0.000 0.000 0.439 325 G N 3.606 112.410 108.800 0.006 0.000 2.591 325 G HA2 -0.275 3.696 3.960 0.019 0.000 0.298 325 G HA3 -0.275 3.696 3.960 0.019 0.000 0.298 325 G C -0.044 174.855 174.900 -0.002 0.000 1.195 325 G CA 0.322 45.422 45.100 0.001 0.000 0.989 325 G HN 0.700 8.990 8.290 -0.000 0.000 0.551 326 R N 0.000 120.497 120.500 -0.006 0.000 2.786 326 R HA 0.000 4.352 4.340 0.019 0.000 0.208 326 R CA 0.000 56.096 56.100 -0.007 0.000 0.921 326 R CB 0.000 30.297 30.300 -0.005 0.000 0.687 326 R HN 0.000 8.270 8.270 -0.000 0.000 0.535