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 2ffk_1_A DATA FIRST_RESID 1 DATA SEQUENCE MPASLQQSSS SSSScTEEEN KHHMGIDVII KVTKQDQTPT NDKIcQSVTE DATA SEQUENCE ITESESDPDP EVESEDDSTS VEDVDPPTTY YSIIGGGLRM NFGFTKcPQI DATA SEQUENCE KSISESADGN TVNARLSSVS PGQGKDSPAI THEEALAMIK DcEVSIDIRc DATA SEQUENCE SEEEKDSDIK THPVLGSNIS HKKVSYEDII GSTIVDTKcV KNLEFSVRIG DATA SEQUENCE DMcKESSELE VKDGFKYVDG SASKGATDDT SLIDSTKLKA cV 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 1 M HA 0.000 4.484 4.480 0.007 0.000 0.227 1 M C 0.000 176.305 176.300 0.008 0.000 1.140 1 M CA 0.000 55.304 55.300 0.007 0.000 0.988 1 M CB 0.000 32.603 32.600 0.005 0.000 1.302 2 P HA -0.159 4.267 4.420 0.010 0.000 0.225 2 P C -0.689 176.616 177.300 0.009 0.000 1.054 2 P CA 0.183 63.289 63.100 0.010 0.000 1.244 2 P CB -0.857 30.851 31.700 0.013 0.000 1.310 3 A N 5.405 128.230 122.820 0.008 0.000 2.302 3 A HA 0.055 4.379 4.320 0.007 0.000 0.219 3 A C 0.769 178.357 177.584 0.007 0.000 1.243 3 A CA 0.616 52.657 52.037 0.007 0.000 0.856 3 A CB -0.583 18.421 19.000 0.006 0.000 0.893 3 A HN 0.011 8.165 8.150 0.007 0.000 0.491 4 S N -1.155 114.550 115.700 0.008 0.000 2.442 4 S HA -0.175 4.299 4.470 0.007 0.000 0.236 4 S C 0.059 174.664 174.600 0.008 0.000 1.007 4 S CA 0.115 58.319 58.200 0.008 0.000 0.965 4 S CB 0.044 63.249 63.200 0.009 0.000 0.773 4 S HN -0.336 7.878 8.310 0.009 0.102 0.504 5 L N 1.221 122.449 121.223 0.009 0.000 2.826 5 L HA -0.255 4.090 4.340 0.010 0.000 0.520 5 L C -0.533 176.343 176.870 0.011 0.000 1.002 5 L CA 0.607 55.453 54.840 0.009 0.000 1.275 5 L CB 0.371 42.434 42.059 0.008 0.000 1.319 5 L HN -0.687 7.509 8.230 0.009 0.040 0.648 6 Q N 6.506 126.313 119.800 0.012 0.000 2.903 6 Q HA -0.097 4.252 4.340 0.014 0.000 0.295 6 Q C -0.503 175.505 176.000 0.014 0.000 1.157 6 Q CA -0.116 55.695 55.803 0.014 0.000 0.930 6 Q CB -1.791 26.957 28.738 0.017 0.000 1.571 6 Q HN 0.465 8.743 8.270 0.012 0.000 0.440 7 Q N -0.722 119.085 119.800 0.012 0.000 1.669 7 Q HA -0.427 3.918 4.340 0.010 0.000 0.383 7 Q C -1.396 174.611 176.000 0.012 0.000 0.879 7 Q CA 1.660 57.470 55.803 0.011 0.000 0.787 7 Q CB -0.300 28.446 28.738 0.013 0.000 3.896 7 Q HN 0.178 8.349 8.270 0.011 0.106 0.687 8 S N -2.392 113.316 115.700 0.014 0.000 2.707 8 S HA 0.079 4.557 4.470 0.013 0.000 0.224 8 S C -0.450 174.162 174.600 0.019 0.000 0.931 8 S CA 0.578 58.786 58.200 0.014 0.000 1.243 8 S CB 1.603 64.808 63.200 0.009 0.000 0.949 8 S HN 0.104 8.423 8.310 0.015 0.000 0.384 9 S N 2.335 118.047 115.700 0.020 0.000 2.447 9 S HA -0.232 4.256 4.470 0.030 0.000 0.233 9 S C 0.130 174.753 174.600 0.039 0.000 1.006 9 S CA 1.396 59.612 58.200 0.027 0.000 0.957 9 S CB 0.084 63.295 63.200 0.019 0.000 0.773 9 S HN -0.112 8.303 8.310 0.016 -0.095 0.507 10 S N 0.951 116.672 115.700 0.034 0.000 2.593 10 S HA -0.134 4.357 4.470 0.035 0.000 0.300 10 S C 0.679 175.320 174.600 0.068 0.000 1.267 10 S CA 0.028 58.253 58.200 0.040 0.000 1.065 10 S CB 0.957 64.176 63.200 0.032 0.000 0.807 10 S HN -0.358 7.928 8.310 0.026 0.040 0.499 11 S N 7.079 122.829 115.700 0.082 0.000 2.469 11 S HA -0.212 4.414 4.470 0.259 0.000 0.238 11 S C 1.114 175.797 174.600 0.140 0.000 0.998 11 S CA 2.433 60.727 58.200 0.156 0.000 0.957 11 S CB 0.111 63.365 63.200 0.090 0.000 0.764 11 S HN 0.562 8.905 8.310 0.055 0.000 0.514 12 S N -0.843 114.904 115.700 0.080 0.000 2.478 12 S HA -0.035 4.588 4.470 0.068 -0.112 0.222 12 S C 1.190 175.816 174.600 0.043 0.000 1.008 12 S CA 1.950 60.185 58.200 0.060 0.000 0.928 12 S CB 0.010 63.236 63.200 0.043 0.000 0.781 12 S HN -0.690 7.608 8.310 0.064 0.051 0.518 13 S N 0.363 116.086 115.700 0.040 0.000 2.348 13 S HA -0.104 4.379 4.470 0.022 0.000 0.219 13 S C 0.814 175.422 174.600 0.013 0.000 1.033 13 S CA 1.994 60.209 58.200 0.025 0.000 0.974 13 S CB 0.759 63.973 63.200 0.023 0.000 0.868 13 S HN -0.315 7.897 8.310 0.047 0.127 0.459 14 S N -2.414 113.294 115.700 0.013 0.000 2.672 14 S HA 0.142 4.585 4.470 -0.044 0.000 0.271 14 S C -2.273 172.294 174.600 -0.056 0.000 1.171 14 S CA -0.928 57.256 58.200 -0.026 0.000 0.817 14 S CB 1.839 65.027 63.200 -0.020 0.000 1.150 14 S HN -0.407 7.924 8.310 0.035 0.000 0.478 15 c N 1.057 119.557 118.600 -0.167 0.000 2.657 15 c HA -0.049 4.036 4.570 -0.809 0.000 0.404 15 c C 0.997 175.072 174.090 -0.025 0.000 1.291 15 c CA -0.380 55.739 56.329 -0.350 0.000 2.218 15 c CB -0.817 41.467 42.510 -0.377 0.000 2.687 15 c HN 0.168 8.314 8.230 -0.141 0.000 0.634 16 T N 4.184 118.891 114.554 0.254 0.000 2.748 16 T HA -0.032 4.390 4.350 0.121 0.000 0.304 16 T C -0.105 174.630 174.700 0.058 0.000 1.041 16 T CA 0.315 62.522 62.100 0.178 0.000 1.033 16 T CB 1.090 70.075 68.868 0.195 0.000 0.995 16 T HN 0.262 8.969 8.240 0.780 0.000 0.536 17 E N -0.211 120.004 120.200 0.026 0.000 2.583 17 E HA 0.190 4.537 4.350 -0.005 0.000 0.213 17 E C -1.052 175.540 176.600 -0.012 0.000 0.989 17 E CA 0.164 56.564 56.400 0.001 0.000 0.991 17 E CB 0.424 30.125 29.700 0.001 0.000 1.040 17 E HN 0.383 8.760 8.360 0.029 0.000 0.481 18 E N 0.360 120.548 120.200 -0.019 0.000 1.941 18 E HA 0.009 4.343 4.350 -0.027 0.000 0.275 18 E C 0.199 176.762 176.600 -0.063 0.000 1.113 18 E CA -0.828 55.550 56.400 -0.037 0.000 0.878 18 E CB -1.072 28.604 29.700 -0.040 0.000 1.070 18 E HN -0.494 7.801 8.360 -0.006 0.062 0.399 19 E N 4.836 125.013 120.200 -0.039 0.000 2.172 19 E HA -0.440 3.891 4.350 -0.032 0.000 0.213 19 E C 0.735 177.340 176.600 0.008 0.000 1.051 19 E CA 2.892 59.282 56.400 -0.016 0.000 0.860 19 E CB 0.144 29.858 29.700 0.024 0.000 0.755 19 E HN 0.194 8.540 8.360 -0.024 0.000 0.462 20 N N -3.771 114.904 118.700 -0.041 0.000 2.441 20 N HA -0.119 4.490 4.740 -0.218 0.000 0.225 20 N C -1.288 174.112 175.510 -0.183 0.000 1.208 20 N CA 0.374 53.309 53.050 -0.191 0.000 0.847 20 N CB -0.419 37.916 38.487 -0.253 0.000 1.121 20 N HN -0.138 8.204 8.380 -0.052 0.007 0.479 21 K N -1.684 118.647 120.400 -0.115 0.000 2.498 21 K HA 0.612 5.133 4.320 0.004 -0.198 0.254 21 K C -1.703 174.722 176.600 -0.291 0.000 0.933 21 K CA -1.517 54.711 56.287 -0.098 0.000 0.806 21 K CB 3.357 35.803 32.500 -0.091 0.000 1.301 21 K HN -0.346 7.676 8.250 -0.169 0.127 0.432 22 H N -0.521 118.622 119.070 0.122 0.000 2.961 22 H HA 0.298 4.997 4.556 0.239 0.000 0.371 22 H C -1.365 174.018 175.328 0.092 0.000 1.190 22 H CA -0.717 55.426 56.048 0.159 0.000 1.138 22 H CB 4.278 34.114 29.762 0.124 0.000 1.816 22 H HN 0.698 9.060 8.280 0.137 0.000 0.551 23 H N 4.593 123.754 119.070 0.151 0.000 2.820 23 H HA 0.282 5.023 4.556 0.074 -0.140 0.248 23 H C 0.003 175.380 175.328 0.081 0.000 1.714 23 H CA -1.221 54.880 56.048 0.088 0.000 1.334 23 H CB -0.863 28.934 29.762 0.058 0.000 1.693 23 H HN 0.654 9.262 8.280 0.546 0.000 0.548 24 M N 1.860 121.539 119.600 0.132 0.000 2.246 24 M HA 0.208 4.949 4.480 0.083 -0.212 0.350 24 M C -1.015 175.331 176.300 0.076 0.000 1.406 24 M CA -1.707 53.646 55.300 0.088 0.000 1.089 24 M CB -1.051 31.585 32.600 0.060 0.000 1.782 24 M HN -0.620 7.693 8.290 0.094 0.034 0.457 25 G N 2.419 111.257 108.800 0.063 0.000 3.176 25 G HA2 0.476 4.481 3.960 0.074 0.000 0.272 25 G HA3 0.476 4.474 3.960 0.063 0.000 0.272 25 G C -3.083 171.845 174.900 0.046 0.000 1.349 25 G CA -1.693 43.444 45.100 0.062 0.000 0.953 25 G HN 0.041 8.361 8.290 0.050 0.000 0.559 26 I N -1.610 118.996 120.570 0.061 0.000 2.913 26 I HA 0.670 5.013 4.170 0.022 -0.160 0.302 26 I C -2.887 173.274 176.117 0.073 0.000 1.246 26 I CA -1.737 59.597 61.300 0.057 0.000 1.010 26 I CB 3.996 42.047 38.000 0.084 0.000 1.259 26 I HN -0.052 8.201 8.210 0.072 0.000 0.434 27 D N 6.852 127.293 120.400 0.068 0.000 2.936 27 D HA 0.502 5.328 4.640 0.110 -0.120 0.238 27 D C -1.862 174.526 176.300 0.146 0.000 1.248 27 D CA -0.118 53.950 54.000 0.114 0.000 0.903 27 D CB 4.105 44.958 40.800 0.088 0.000 1.544 27 D HN -0.027 8.370 8.370 0.045 0.000 0.543 28 V N 3.193 123.178 119.914 0.119 0.000 2.443 28 V HA 0.494 4.867 4.120 0.092 -0.198 0.272 28 V C -0.968 175.122 176.094 -0.007 0.000 1.002 28 V CA -1.058 61.283 62.300 0.069 0.000 0.840 28 V CB 1.183 33.051 31.823 0.075 0.000 1.042 28 V HN 0.926 9.075 8.190 0.093 0.096 0.446 29 I N 3.061 123.605 120.570 -0.042 0.000 2.612 29 I HA 0.720 4.990 4.170 -0.104 -0.163 0.295 29 I C -1.549 174.506 176.117 -0.103 0.000 1.011 29 I CA -1.466 59.757 61.300 -0.127 0.000 1.326 29 I CB 2.100 39.916 38.000 -0.307 0.000 1.427 29 I HN 0.021 8.216 8.210 -0.026 0.000 0.537 30 I N 1.763 122.262 120.570 -0.118 0.000 2.680 30 I HA 0.575 4.809 4.170 -0.188 -0.177 0.291 30 I C -2.796 173.228 176.117 -0.155 0.000 1.244 30 I CA -1.411 59.798 61.300 -0.151 0.000 1.042 30 I CB 3.897 41.830 38.000 -0.112 0.000 1.277 30 I HN -0.201 7.940 8.210 -0.115 0.000 0.423 31 K N 9.634 129.916 120.400 -0.196 0.000 2.323 31 K HA 0.404 4.658 4.320 -0.109 0.000 0.259 31 K C -2.423 174.080 176.600 -0.161 0.000 0.947 31 K CA -1.530 54.671 56.287 -0.144 0.000 0.819 31 K CB 2.768 35.198 32.500 -0.117 0.000 1.109 31 K HN 0.022 8.118 8.250 -0.257 0.000 0.429 32 V N 7.084 126.937 119.914 -0.102 0.000 2.588 32 V HA 0.484 4.682 4.120 -0.088 -0.131 0.304 32 V C -2.459 173.615 176.094 -0.034 0.000 1.042 32 V CA -2.769 59.487 62.300 -0.072 0.000 0.877 32 V CB 3.676 35.469 31.823 -0.051 0.000 0.996 32 V HN 0.226 8.369 8.190 -0.079 0.000 0.425 33 T N 11.510 126.054 114.554 -0.016 0.000 2.795 33 T HA 0.233 4.577 4.350 -0.011 0.000 0.282 33 T C -0.855 173.851 174.700 0.009 0.000 0.980 33 T CA 0.053 62.149 62.100 -0.006 0.000 1.012 33 T CB 1.084 69.948 68.868 -0.006 0.000 0.936 33 T HN -0.039 8.087 8.240 -0.011 0.108 0.457 34 K N 5.452 125.856 120.400 0.007 0.000 2.202 34 K HA 0.055 4.387 4.320 0.020 0.000 0.264 34 K C -0.355 176.253 176.600 0.014 0.000 1.010 34 K CA -1.100 55.195 56.287 0.014 0.000 0.940 34 K CB 0.900 33.407 32.500 0.010 0.000 0.983 34 K HN 0.312 8.563 8.250 0.002 0.000 0.475 35 Q N 0.698 120.509 119.800 0.019 0.000 2.340 35 Q HA 0.003 4.351 4.340 0.014 0.000 0.249 35 Q C 0.409 176.415 176.000 0.011 0.000 0.957 35 Q CA 0.092 55.905 55.803 0.016 0.000 0.882 35 Q CB 1.288 30.038 28.738 0.021 0.000 1.235 35 Q HN 0.071 8.354 8.270 0.022 0.000 0.439 36 D N 1.957 122.361 120.400 0.008 0.000 2.403 36 D HA -0.230 4.413 4.640 0.005 0.000 0.227 36 D C 0.810 177.114 176.300 0.007 0.000 0.995 36 D CA 2.315 56.318 54.000 0.005 0.000 0.928 36 D CB -0.529 40.273 40.800 0.003 0.000 0.887 36 D HN 0.365 8.739 8.370 0.007 0.000 0.529 37 Q N -2.847 116.958 119.800 0.009 0.000 2.287 37 Q HA 0.066 4.410 4.340 0.008 0.000 0.201 37 Q C -0.235 175.772 176.000 0.010 0.000 0.946 37 Q CA 0.769 56.578 55.803 0.010 0.000 0.868 37 Q CB 1.297 30.042 28.738 0.011 0.000 0.967 37 Q HN -0.034 8.119 8.270 0.011 0.124 0.516 38 T N 0.752 115.313 114.554 0.013 0.000 2.934 38 T HA -0.206 4.153 4.350 0.014 0.000 0.321 38 T C -0.804 173.902 174.700 0.010 0.000 1.080 38 T CA -0.208 61.900 62.100 0.013 0.000 1.132 38 T CB -0.061 68.816 68.868 0.015 0.000 1.039 38 T HN -0.689 7.560 8.240 0.014 0.000 0.543 39 P HA -0.015 4.409 4.420 0.007 0.000 0.279 39 P C -0.509 176.796 177.300 0.008 0.000 1.282 39 P CA -0.616 62.489 63.100 0.008 0.000 0.788 39 P CB 0.662 32.367 31.700 0.008 0.000 1.139 40 T N -0.204 114.354 114.554 0.006 0.000 2.930 40 T HA -0.114 4.239 4.350 0.005 0.000 0.306 40 T C -0.549 174.155 174.700 0.006 0.000 1.045 40 T CA 1.076 63.179 62.100 0.006 0.000 1.134 40 T CB 0.365 69.236 68.868 0.004 0.000 0.961 40 T HN -0.070 8.174 8.240 0.006 0.000 0.545 41 N N 5.887 124.590 118.700 0.006 0.000 2.932 41 N HA 0.136 4.880 4.740 0.007 0.000 0.242 41 N C -1.083 174.430 175.510 0.006 0.000 1.351 41 N CA 0.178 53.233 53.050 0.007 0.000 0.785 41 N CB 1.312 39.805 38.487 0.009 0.000 1.501 41 N HN 0.073 8.456 8.380 0.005 0.000 0.584 42 D N 1.531 121.934 120.400 0.005 0.000 2.367 42 D HA -0.117 4.525 4.640 0.004 0.000 0.207 42 D C -0.587 175.717 176.300 0.005 0.000 1.034 42 D CA -0.106 53.897 54.000 0.004 0.000 0.861 42 D CB 0.641 41.443 40.800 0.003 0.000 0.943 42 D HN 0.343 8.716 8.370 0.005 0.000 0.515 43 K N 0.996 121.400 120.400 0.007 0.000 2.046 43 K HA -0.138 4.186 4.320 0.007 0.000 0.248 43 K C -0.583 176.022 176.600 0.009 0.000 1.123 43 K CA -0.187 56.105 56.287 0.008 0.000 1.145 43 K CB -2.182 30.323 32.500 0.008 0.000 1.028 43 K HN -0.209 8.004 8.250 0.007 0.042 0.354 44 I N 1.697 122.272 120.570 0.008 0.000 2.797 44 I HA -0.173 4.076 4.170 0.011 -0.073 0.310 44 I C -1.072 175.051 176.117 0.011 0.000 0.990 44 I CA -0.297 61.008 61.300 0.009 0.000 1.228 44 I CB 2.884 40.888 38.000 0.007 0.000 1.406 44 I HN -0.046 8.158 8.210 0.007 0.010 0.534 45 c N 1.016 119.624 118.600 0.013 0.000 4.356 45 c HA -0.365 4.215 4.570 0.017 0.000 0.296 45 c C 1.662 175.760 174.090 0.014 0.000 1.424 45 c CA 1.214 57.551 56.329 0.014 0.000 2.000 45 c CB -3.093 39.425 42.510 0.013 0.000 1.262 45 c HN 0.476 8.911 8.230 0.014 -0.197 0.789 46 Q N -0.967 118.841 119.800 0.013 0.000 2.045 46 Q HA -0.269 4.265 4.340 0.011 -0.188 0.206 46 Q C 0.593 176.599 176.000 0.011 0.000 0.991 46 Q CA 2.667 58.477 55.803 0.012 0.000 0.851 46 Q CB 0.660 29.405 28.738 0.012 0.000 0.911 46 Q HN 0.114 8.376 8.270 0.014 0.016 0.418 47 S N -6.957 108.750 115.700 0.012 0.000 2.615 47 S HA 0.166 4.643 4.470 0.011 0.000 0.268 47 S C -2.332 172.275 174.600 0.012 0.000 1.146 47 S CA 0.106 58.313 58.200 0.011 0.000 0.818 47 S CB 3.121 66.325 63.200 0.007 0.000 1.111 47 S HN -0.726 7.592 8.310 0.014 0.000 0.465 48 V N -3.430 116.491 119.914 0.012 0.000 2.808 48 V HA 0.414 4.540 4.120 0.010 0.000 0.308 48 V C -1.310 174.788 176.094 0.007 0.000 1.099 48 V CA -1.380 60.931 62.300 0.018 0.000 0.920 48 V CB 3.012 34.860 31.823 0.040 0.000 1.014 48 V HN 0.136 8.333 8.190 0.011 0.000 0.425 49 T N 7.884 122.428 114.554 -0.017 0.000 2.892 49 T HA 0.222 4.552 4.350 -0.032 0.000 0.311 49 T C -0.875 173.752 174.700 -0.121 0.000 1.033 49 T CA -0.630 61.441 62.100 -0.048 0.000 0.991 49 T CB 0.773 69.614 68.868 -0.046 0.000 0.981 49 T HN 0.127 8.350 8.240 -0.028 0.000 0.457 50 E N 7.543 127.669 120.200 -0.124 0.000 2.259 50 E HA 0.386 4.480 4.350 -0.658 -0.139 0.281 50 E C -0.980 175.452 176.600 -0.280 0.000 1.027 50 E CA -0.231 55.983 56.400 -0.309 0.000 0.838 50 E CB 1.202 30.829 29.700 -0.121 0.000 1.066 50 E HN 0.363 8.687 8.360 -0.060 0.000 0.401 51 I N 4.302 124.635 120.570 -0.395 0.000 2.994 51 I HA 0.386 4.467 4.170 -0.148 0.000 0.306 51 I C -1.195 174.803 176.117 -0.198 0.000 1.195 51 I CA -1.202 59.973 61.300 -0.208 0.000 1.001 51 I CB 4.523 42.455 38.000 -0.113 0.000 1.244 51 I HN 0.465 8.256 8.210 -0.699 0.000 0.437 52 T N 2.447 116.938 114.554 -0.105 0.000 2.932 52 T HA 0.410 4.934 4.350 -0.053 -0.206 0.318 52 T C -0.343 174.334 174.700 -0.038 0.000 1.265 52 T CA -1.088 60.975 62.100 -0.061 0.000 1.036 52 T CB 2.483 71.327 68.868 -0.040 0.000 1.209 52 T HN -0.037 8.151 8.240 -0.087 0.000 0.484 53 E N 3.438 123.626 120.200 -0.020 0.000 2.478 53 E HA -0.208 4.123 4.350 -0.032 0.000 0.262 53 E C 0.636 177.226 176.600 -0.017 0.000 1.243 53 E CA 0.368 56.756 56.400 -0.020 0.000 1.039 53 E CB 0.638 30.334 29.700 -0.007 0.000 0.983 53 E HN -0.077 8.279 8.360 -0.006 0.000 0.479 54 S N -0.922 114.768 115.700 -0.016 0.000 2.440 54 S HA -0.232 4.229 4.470 -0.016 0.000 0.238 54 S C -0.115 174.481 174.600 -0.006 0.000 1.010 54 S CA 1.654 59.846 58.200 -0.013 0.000 0.972 54 S CB 0.389 63.581 63.200 -0.013 0.000 0.774 54 S HN 0.576 8.875 8.310 -0.018 0.000 0.501 55 E N -1.750 118.449 120.200 -0.002 0.000 9.124 55 E HA -0.422 3.933 4.350 0.010 0.000 0.465 55 E C -0.350 176.252 176.600 0.004 0.000 1.360 55 E CA 0.539 56.942 56.400 0.005 0.000 2.361 55 E CB 0.417 30.121 29.700 0.007 0.000 1.026 55 E HN -0.802 7.628 8.360 -0.003 -0.072 0.374 56 S N 0.197 115.901 115.700 0.007 0.000 4.152 56 S HA -0.431 4.043 4.470 0.007 0.000 0.538 56 S C -1.422 173.180 174.600 0.002 0.000 1.066 56 S CA 2.230 60.434 58.200 0.006 0.000 3.499 56 S CB 0.017 63.220 63.200 0.005 0.000 2.223 56 S HN 0.593 8.910 8.310 0.011 0.000 0.462 57 D N -3.263 117.138 120.400 0.001 0.000 4.049 57 D HA 0.326 5.103 4.640 -0.002 -0.138 0.241 57 D C -1.337 174.962 176.300 -0.002 0.000 1.472 57 D CA -1.580 52.420 54.000 -0.001 0.000 0.879 57 D CB 0.061 40.861 40.800 -0.001 0.000 1.386 57 D HN 0.062 8.433 8.370 0.001 0.000 0.813 58 P HA -0.041 4.378 4.420 -0.002 0.000 0.216 58 P C -0.649 176.649 177.300 -0.004 0.000 1.156 58 P CA 1.293 64.391 63.100 -0.003 0.000 0.855 58 P CB 0.749 32.447 31.700 -0.003 0.000 0.786 59 D N -2.738 117.659 120.400 -0.006 0.000 2.914 59 D HA 0.209 4.845 4.640 -0.006 0.000 0.236 59 D C -2.740 173.555 176.300 -0.008 0.000 1.405 59 D CA -1.040 52.956 54.000 -0.007 0.000 0.900 59 D CB 0.129 40.925 40.800 -0.007 0.000 1.518 59 D HN -0.442 7.924 8.370 -0.006 0.000 0.548 60 P HA -0.198 4.215 4.420 -0.011 0.000 0.255 60 P C -0.835 176.458 177.300 -0.012 0.000 1.161 60 P CA 0.177 63.270 63.100 -0.010 0.000 0.768 60 P CB 0.405 32.100 31.700 -0.009 0.000 0.746 61 E N 6.347 126.539 120.200 -0.015 0.000 1.896 61 E HA -0.317 4.024 4.350 -0.014 0.000 0.276 61 E C -0.847 175.744 176.600 -0.016 0.000 1.171 61 E CA 0.332 56.723 56.400 -0.016 0.000 1.118 61 E CB -1.008 28.680 29.700 -0.020 0.000 1.077 61 E HN 0.175 8.526 8.360 -0.016 0.000 0.452 62 V N 1.562 121.468 119.914 -0.013 0.000 5.999 62 V HA -0.334 3.779 4.120 -0.011 0.000 0.275 62 V C -0.795 175.291 176.094 -0.013 0.000 0.606 62 V CA 0.890 63.183 62.300 -0.013 0.000 0.836 62 V CB -2.013 29.802 31.823 -0.014 0.000 0.869 62 V HN 0.279 8.432 8.190 -0.012 0.030 0.497 63 E N 2.069 122.262 120.200 -0.012 0.000 2.291 63 E HA -0.281 4.062 4.350 -0.010 0.000 0.181 63 E C -0.923 175.669 176.600 -0.014 0.000 1.480 63 E CA 0.678 57.071 56.400 -0.011 0.000 0.674 63 E CB -0.277 29.417 29.700 -0.011 0.000 1.108 63 E HN 0.252 8.606 8.360 -0.011 0.000 0.357 64 S N -0.384 115.307 115.700 -0.014 0.000 2.559 64 S HA 0.030 4.488 4.470 -0.019 0.000 0.226 64 S C -0.706 173.885 174.600 -0.014 0.000 1.000 64 S CA 0.974 59.164 58.200 -0.017 0.000 0.948 64 S CB 0.751 63.940 63.200 -0.019 0.000 0.870 64 S HN 0.180 8.483 8.310 -0.013 0.000 0.497 65 E N 0.346 120.539 120.200 -0.011 0.000 3.530 65 E HA 0.061 4.406 4.350 -0.008 0.000 0.175 65 E C -0.029 176.567 176.600 -0.006 0.000 0.861 65 E CA -0.684 55.712 56.400 -0.008 0.000 1.136 65 E CB 1.562 31.259 29.700 -0.006 0.000 1.859 65 E HN -0.560 7.744 8.360 -0.010 0.050 0.369 66 D N -1.027 119.370 120.400 -0.005 0.000 2.312 66 D HA -0.082 4.555 4.640 -0.004 0.000 0.211 66 D C -0.193 176.104 176.300 -0.005 0.000 0.964 66 D CA 1.369 55.367 54.000 -0.004 0.000 0.877 66 D CB 0.274 41.073 40.800 -0.002 0.000 0.924 66 D HN 0.578 8.946 8.370 -0.004 0.000 0.515 67 D N -6.644 113.753 120.400 -0.005 0.000 2.946 67 D HA -0.242 4.394 4.640 -0.006 0.000 0.202 67 D C -1.387 174.910 176.300 -0.004 0.000 1.068 67 D CA 1.733 55.730 54.000 -0.005 0.000 1.011 67 D CB -1.023 39.774 40.800 -0.006 0.000 1.105 67 D HN 0.012 8.338 8.370 -0.005 0.041 0.425 68 S N -1.528 114.169 115.700 -0.004 0.000 4.205 68 S HA 0.144 4.612 4.470 -0.003 0.000 0.268 68 S C -0.653 173.946 174.600 -0.002 0.000 1.082 68 S CA -0.812 57.387 58.200 -0.003 0.000 1.431 68 S CB 1.032 64.230 63.200 -0.003 0.000 1.370 68 S HN -0.115 8.080 8.310 -0.003 0.113 0.740 69 T N -1.590 112.963 114.554 -0.002 0.000 2.937 69 T HA 0.010 4.359 4.350 -0.001 0.000 0.316 69 T C -0.750 173.950 174.700 -0.001 0.000 1.079 69 T CA 0.844 62.943 62.100 -0.001 0.000 1.131 69 T CB 0.651 69.519 68.868 -0.001 0.000 1.000 69 T HN 0.033 8.272 8.240 -0.002 0.000 0.549 70 S N 1.622 117.322 115.700 -0.000 0.000 2.598 70 S HA 0.158 4.628 4.470 0.001 0.000 0.209 70 S C -0.039 174.561 174.600 0.001 0.000 1.029 70 S CA -0.507 57.694 58.200 0.001 0.000 1.172 70 S CB 1.094 64.294 63.200 0.000 0.000 1.427 70 S HN 0.167 8.477 8.310 -0.000 0.000 0.418 71 V N 0.921 120.836 119.914 0.001 0.000 2.271 71 V HA -0.242 3.879 4.120 0.001 0.000 0.221 71 V C -0.275 175.820 176.094 0.002 0.000 0.991 71 V CA 2.217 64.518 62.300 0.001 0.000 1.008 71 V CB 0.093 31.917 31.823 0.001 0.000 0.653 71 V HN -0.461 7.730 8.190 0.001 0.000 0.473 72 E N -4.240 115.962 120.200 0.003 0.000 2.722 72 E HA 0.092 4.445 4.350 0.005 0.000 0.179 72 E C -0.321 176.282 176.600 0.004 0.000 0.918 72 E CA -0.684 55.719 56.400 0.004 0.000 1.334 72 E CB 0.026 29.728 29.700 0.004 0.000 1.064 72 E HN -0.289 8.073 8.360 0.002 0.000 0.513 73 D N 0.898 121.300 120.400 0.003 0.000 2.088 73 D HA -0.185 4.456 4.640 0.003 0.000 0.196 73 D C -0.557 175.746 176.300 0.005 0.000 0.983 73 D CA 2.124 56.126 54.000 0.003 0.000 0.846 73 D CB 0.160 40.961 40.800 0.002 0.000 0.992 73 D HN 0.019 8.390 8.370 0.003 0.000 0.448 74 V N -0.876 119.041 119.914 0.005 0.000 2.733 74 V HA 0.115 4.240 4.120 0.008 0.000 0.306 74 V C -2.207 173.891 176.094 0.007 0.000 1.084 74 V CA -0.495 61.809 62.300 0.006 0.000 0.905 74 V CB 1.000 32.827 31.823 0.005 0.000 1.010 74 V HN -0.186 8.006 8.190 0.004 0.000 0.424 75 D N 3.425 123.831 120.400 0.009 0.000 3.491 75 D HA 0.221 4.866 4.640 0.008 0.000 0.240 75 D C -2.618 173.691 176.300 0.015 0.000 1.487 75 D CA -1.217 52.789 54.000 0.010 0.000 0.936 75 D CB -0.990 39.815 40.800 0.008 0.000 1.451 75 D HN -0.012 8.365 8.370 0.011 0.000 0.678 76 P HA 0.374 4.812 4.420 0.030 0.000 0.291 76 P C -2.005 175.314 177.300 0.031 0.000 1.340 76 P CA -1.035 62.082 63.100 0.027 0.000 0.799 76 P CB -0.010 31.706 31.700 0.027 0.000 0.917 77 P HA 0.258 4.694 4.420 0.026 0.000 0.281 77 P C -1.745 175.594 177.300 0.064 0.000 1.281 77 P CA -0.978 62.145 63.100 0.038 0.000 0.811 77 P CB 2.372 34.091 31.700 0.031 0.000 1.154 78 T N -3.336 111.257 114.554 0.064 0.000 2.824 78 T HA 0.347 4.944 4.350 0.152 -0.156 0.282 78 T C 0.003 174.767 174.700 0.107 0.000 0.993 78 T CA -1.616 60.551 62.100 0.112 0.000 0.967 78 T CB 2.821 71.752 68.868 0.105 0.000 0.960 78 T HN -0.188 8.075 8.240 0.039 0.000 0.441 79 T N 5.068 119.723 114.554 0.169 0.000 2.744 79 T HA 0.439 4.929 4.350 -0.049 -0.169 0.291 79 T C -1.729 172.983 174.700 0.020 0.000 0.957 79 T CA -1.122 61.014 62.100 0.060 0.000 1.002 79 T CB 0.575 69.547 68.868 0.173 0.000 0.919 79 T HN 0.693 9.087 8.240 0.257 0.000 0.468 80 Y N 7.305 127.357 120.300 -0.414 0.000 2.457 80 Y HA 0.596 5.229 4.550 -0.227 -0.219 0.333 80 Y C -2.162 173.170 175.900 -0.946 0.000 1.119 80 Y CA -1.995 55.842 58.100 -0.439 0.000 1.143 80 Y CB 4.035 42.339 38.460 -0.261 0.000 1.230 80 Y HN 0.442 8.485 8.280 -0.206 0.113 0.469 81 Y N 0.731 120.333 120.300 -1.164 0.000 2.553 81 Y HA 0.534 4.972 4.550 -0.561 -0.225 0.347 81 Y C -0.565 174.727 175.900 -1.015 0.000 1.019 81 Y CA -1.839 55.650 58.100 -1.018 0.000 1.032 81 Y CB 4.544 42.181 38.460 -1.373 0.000 1.284 81 Y HN -0.134 7.123 8.280 -1.705 0.000 0.466 82 S N 0.600 116.082 115.700 -0.364 0.000 2.359 82 S HA 0.291 4.746 4.470 -0.279 -0.153 0.148 82 S C -1.248 173.301 174.600 -0.086 0.000 1.610 82 S CA -0.511 57.558 58.200 -0.220 0.000 1.274 82 S CB 0.420 63.562 63.200 -0.098 0.000 1.380 82 S HN 0.310 8.492 8.310 -0.213 0.000 0.380 83 I N 4.484 125.024 120.570 -0.049 0.000 2.483 83 I HA -0.065 4.305 4.170 0.015 -0.191 0.291 83 I C -1.964 174.168 176.117 0.025 0.000 1.112 83 I CA -0.146 61.167 61.300 0.022 0.000 1.350 83 I CB 0.470 38.519 38.000 0.082 0.000 1.419 83 I HN -0.552 7.606 8.210 -0.087 0.000 0.523 84 I N 7.924 128.504 120.570 0.017 0.000 2.499 84 I HA 0.355 4.539 4.170 0.023 0.000 0.296 84 I C -0.521 175.609 176.117 0.020 0.000 0.992 84 I CA -0.900 60.412 61.300 0.019 0.000 1.297 84 I CB 0.940 38.949 38.000 0.014 0.000 1.410 84 I HN 0.304 8.521 8.210 0.012 0.000 0.507 85 G N 2.282 111.094 108.800 0.021 0.000 2.347 85 G HA2 -0.088 3.996 3.960 0.015 0.000 0.303 85 G HA3 -0.088 3.883 3.960 0.017 0.000 0.303 85 G C -0.611 174.299 174.900 0.017 0.000 1.481 85 G CA 0.429 45.539 45.100 0.018 0.000 0.914 85 G HN 0.074 8.377 8.290 0.022 0.000 0.638 86 G N -0.708 108.100 108.800 0.013 0.000 2.203 86 G HA2 -0.473 3.661 3.960 0.009 0.000 0.263 86 G HA3 -0.473 3.493 3.960 0.010 0.000 0.263 86 G C 0.407 175.315 174.900 0.013 0.000 1.012 86 G CA 0.912 46.019 45.100 0.011 0.000 0.749 86 G HN 0.228 8.403 8.290 0.012 0.122 0.512 87 G N -3.305 105.504 108.800 0.015 0.000 2.168 87 G HA2 -0.526 3.443 3.960 0.016 0.000 0.263 87 G HA3 -0.526 3.443 3.960 0.015 0.000 0.263 87 G C -1.202 173.710 174.900 0.021 0.000 0.977 87 G CA 0.384 45.494 45.100 0.016 0.000 0.659 87 G HN 0.243 8.501 8.290 0.014 0.041 0.533 88 L N -1.184 120.053 121.223 0.023 0.000 2.354 88 L HA 0.450 4.917 4.340 0.032 -0.108 0.269 88 L C -2.417 174.474 176.870 0.034 0.000 1.005 88 L CA -1.383 53.475 54.840 0.030 0.000 0.819 88 L CB 4.259 46.337 42.059 0.031 0.000 1.311 88 L HN -0.240 7.793 8.230 0.021 0.209 0.423 89 R N 4.523 125.047 120.500 0.041 0.000 2.310 89 R HA 0.324 4.685 4.340 0.035 0.000 0.316 89 R C -1.778 174.556 176.300 0.057 0.000 1.004 89 R CA -1.262 54.863 56.100 0.041 0.000 0.900 89 R CB 1.615 31.938 30.300 0.038 0.000 1.152 89 R HN 0.641 8.937 8.270 0.043 0.000 0.513 90 M N 6.889 126.529 119.600 0.066 0.000 2.300 90 M HA 0.341 4.891 4.480 0.117 0.000 0.348 90 M C -2.821 173.519 176.300 0.067 0.000 1.151 90 M CA 0.115 55.481 55.300 0.109 0.000 1.046 90 M CB 3.126 35.817 32.600 0.151 0.000 1.647 90 M HN -0.422 7.903 8.290 0.058 0.000 0.451 91 N N 2.793 121.532 118.700 0.065 0.000 2.264 91 N HA 0.654 5.215 4.740 -0.552 -0.152 0.288 91 N C -1.535 173.928 175.510 -0.077 0.000 1.094 91 N CA -0.840 52.055 53.050 -0.258 0.000 0.817 91 N CB 3.883 42.218 38.487 -0.255 0.000 1.604 91 N HN 0.106 8.574 8.380 0.146 0.000 0.473 92 F N -3.905 115.850 119.950 -0.324 0.000 2.619 92 F HA 0.703 5.454 4.527 0.146 -0.136 0.308 92 F C -1.340 174.529 175.800 0.116 0.000 1.097 92 F CA -2.246 55.764 58.000 0.016 0.000 0.953 92 F CB 3.320 42.409 39.000 0.149 0.000 1.287 92 F HN -0.130 7.236 8.300 -1.556 0.000 0.446 93 G N 0.061 109.205 108.800 0.574 0.000 2.788 93 G HA2 0.329 4.828 3.960 0.550 0.000 0.327 93 G HA3 0.329 4.616 3.960 0.546 0.000 0.327 93 G C -1.387 173.897 174.900 0.640 0.000 1.249 93 G CA -1.082 44.374 45.100 0.594 0.000 1.063 93 G HN -0.018 8.613 8.290 0.569 0.000 0.497 94 F N 6.728 126.891 119.950 0.355 0.000 2.472 94 F HA 0.101 4.762 4.527 0.222 0.000 0.364 94 F C -0.827 175.083 175.800 0.184 0.000 1.090 94 F CA -2.350 55.810 58.000 0.266 0.000 1.188 94 F CB 0.588 39.771 39.000 0.305 0.000 1.105 94 F HN 0.340 9.131 8.300 0.818 0.000 0.536 95 T N 0.406 115.094 114.554 0.224 0.000 2.815 95 T HA 0.550 4.997 4.350 0.162 0.000 0.289 95 T C -0.056 174.694 174.700 0.084 0.000 1.000 95 T CA -1.571 60.614 62.100 0.142 0.000 0.958 95 T CB 1.962 70.889 68.868 0.099 0.000 0.944 95 T HN 0.258 8.575 8.240 0.130 0.000 0.442 96 K N 3.449 123.904 120.400 0.091 0.000 3.117 96 K HA -0.518 3.842 4.320 0.067 0.000 0.269 96 K C -1.695 174.934 176.600 0.048 0.000 1.098 96 K CA 1.509 57.832 56.287 0.061 0.000 0.785 96 K CB -2.097 30.425 32.500 0.036 0.000 1.242 96 K HN 0.606 8.924 8.250 0.113 0.000 0.491 97 c N -2.914 115.735 118.600 0.081 0.000 2.561 97 c HA 0.404 4.981 4.570 0.011 0.000 0.319 97 c C -1.598 172.577 174.090 0.142 0.000 1.198 97 c CA -2.696 53.664 56.329 0.052 0.000 1.665 97 c CB 1.005 43.464 42.510 -0.085 0.000 2.258 97 c HN -0.202 8.094 8.230 0.138 0.017 0.493 98 P HA -0.185 4.297 4.420 0.104 0.000 0.271 98 P C -1.173 176.249 177.300 0.202 0.000 1.197 98 P CA 0.245 63.425 63.100 0.134 0.000 0.777 98 P CB 0.681 32.447 31.700 0.109 0.000 0.827 99 Q N -0.211 119.682 119.800 0.154 0.000 2.323 99 Q HA 0.000 4.464 4.340 0.206 0.000 0.257 99 Q C -0.433 175.644 176.000 0.128 0.000 1.022 99 Q CA -0.520 55.379 55.803 0.159 0.000 0.919 99 Q CB 0.222 29.029 28.738 0.116 0.000 1.220 99 Q HN 0.202 8.543 8.270 0.118 0.000 0.427 100 I N 5.352 125.991 120.570 0.115 0.000 2.598 100 I HA -0.132 4.057 4.170 0.031 0.000 0.284 100 I C -0.467 175.651 176.117 0.002 0.000 1.140 100 I CA 0.988 62.288 61.300 0.001 0.000 1.420 100 I CB 0.445 38.302 38.000 -0.240 0.000 1.387 100 I HN 0.389 8.696 8.210 0.162 0.000 0.553 101 K N 7.569 127.969 120.400 0.001 0.000 2.450 101 K HA 0.218 4.548 4.320 0.017 0.000 0.206 101 K C -1.109 175.482 176.600 -0.016 0.000 1.148 101 K CA -0.616 55.675 56.287 0.006 0.000 1.014 101 K CB 1.422 33.934 32.500 0.020 0.000 0.966 101 K HN 0.278 8.529 8.250 0.002 0.000 0.566 102 S N 0.222 115.903 115.700 -0.031 0.000 2.478 102 S HA 0.248 4.702 4.470 -0.026 0.000 0.312 102 S C -1.295 173.270 174.600 -0.057 0.000 1.094 102 S CA -1.044 57.138 58.200 -0.031 0.000 1.081 102 S CB 1.447 64.640 63.200 -0.012 0.000 1.007 102 S HN -0.274 8.015 8.310 -0.034 0.000 0.475 103 I N 5.617 126.161 120.570 -0.043 0.000 2.500 103 I HA 0.436 4.699 4.170 -0.068 -0.134 0.286 103 I C -1.122 174.985 176.117 -0.018 0.000 1.063 103 I CA -0.488 60.785 61.300 -0.045 0.000 1.062 103 I CB 2.741 40.720 38.000 -0.035 0.000 1.223 103 I HN 0.662 8.855 8.210 -0.029 0.000 0.435 104 S N 5.855 121.545 115.700 -0.018 0.000 2.697 104 S HA 0.788 5.392 4.470 0.003 -0.132 0.289 104 S C -1.433 173.164 174.600 -0.006 0.000 1.149 104 S CA -1.849 56.348 58.200 -0.004 0.000 0.850 104 S CB 3.489 66.689 63.200 0.001 0.000 1.151 104 S HN 0.357 8.647 8.310 -0.032 0.000 0.491 105 E N -1.275 118.925 120.200 -0.001 0.000 2.422 105 E HA 0.424 4.894 4.350 -0.010 -0.126 0.280 105 E C -2.337 174.262 176.600 -0.002 0.000 1.091 105 E CA -0.560 55.838 56.400 -0.003 0.000 0.849 105 E CB 4.083 33.786 29.700 0.005 0.000 1.353 105 E HN 0.359 8.612 8.360 0.003 0.109 0.449 106 S N -0.466 115.231 115.700 -0.005 0.000 2.595 106 S HA 0.294 4.763 4.470 -0.000 0.000 0.270 106 S C -2.797 171.799 174.600 -0.006 0.000 1.145 106 S CA -0.428 57.770 58.200 -0.004 0.000 0.825 106 S CB 2.762 65.958 63.200 -0.006 0.000 1.107 106 S HN 0.294 8.599 8.310 -0.007 0.000 0.461 107 A N 0.267 123.084 122.820 -0.004 0.000 2.393 107 A HA 0.375 4.691 4.320 -0.007 0.000 0.306 107 A C -2.042 175.539 177.584 -0.006 0.000 1.050 107 A CA -0.791 51.243 52.037 -0.005 0.000 0.724 107 A CB 3.180 22.179 19.000 -0.001 0.000 1.248 107 A HN 0.386 8.534 8.150 -0.003 0.000 0.424 108 D N 2.625 123.021 120.400 -0.008 0.000 2.478 108 D HA 0.208 4.845 4.640 -0.006 0.000 0.240 108 D C 0.215 176.510 176.300 -0.008 0.000 1.364 108 D CA -0.054 53.941 54.000 -0.008 0.000 0.987 108 D CB 2.292 43.085 40.800 -0.010 0.000 1.328 108 D HN -0.200 8.164 8.370 -0.009 0.000 0.584 109 G N 6.373 115.170 108.800 -0.005 0.000 2.523 109 G HA2 -0.399 3.559 3.960 -0.004 0.000 0.271 109 G HA3 -0.399 3.558 3.960 -0.006 0.000 0.271 109 G C -0.773 174.125 174.900 -0.004 0.000 1.146 109 G CA 0.954 46.051 45.100 -0.005 0.000 0.961 109 G HN 0.309 8.596 8.290 -0.004 0.000 0.549 110 N N 3.632 122.330 118.700 -0.004 0.000 2.279 110 N HA -0.001 4.738 4.740 -0.001 0.000 0.226 110 N C -1.747 173.760 175.510 -0.004 0.000 1.126 110 N CA -0.590 52.459 53.050 -0.002 0.000 0.846 110 N CB 0.637 39.123 38.487 -0.001 0.000 1.050 110 N HN 0.120 8.497 8.380 -0.006 0.000 0.502 111 T N 0.489 115.038 114.554 -0.008 0.000 2.901 111 T HA 0.753 5.209 4.350 -0.011 -0.113 0.293 111 T C -2.213 172.479 174.700 -0.014 0.000 1.084 111 T CA -1.357 60.736 62.100 -0.013 0.000 1.008 111 T CB 2.557 71.413 68.868 -0.020 0.000 1.170 111 T HN -0.686 7.458 8.240 -0.008 0.091 0.509 112 V N -1.562 118.341 119.914 -0.019 0.000 2.888 112 V HA 0.686 4.892 4.120 -0.016 -0.096 0.309 112 V C -3.058 173.018 176.094 -0.030 0.000 1.114 112 V CA -2.468 59.822 62.300 -0.018 0.000 0.940 112 V CB 3.281 35.099 31.823 -0.007 0.000 1.021 112 V HN 0.327 8.503 8.190 -0.023 0.000 0.426 113 N N 3.176 121.857 118.700 -0.031 0.000 2.402 113 N HA 0.895 5.792 4.740 -0.059 -0.192 0.294 113 N C -2.321 173.168 175.510 -0.036 0.000 1.203 113 N CA -1.789 51.233 53.050 -0.045 0.000 0.838 113 N CB 4.300 42.756 38.487 -0.051 0.000 1.306 113 N HN -0.240 8.126 8.380 -0.024 0.000 0.510 114 A N -0.492 122.299 122.820 -0.049 0.000 2.437 114 A HA 0.319 4.751 4.320 -0.030 -0.130 0.293 114 A C -2.383 175.160 177.584 -0.069 0.000 1.038 114 A CA -0.795 51.215 52.037 -0.044 0.000 0.708 114 A CB 3.432 22.415 19.000 -0.029 0.000 1.251 114 A HN 0.102 8.212 8.150 -0.066 0.000 0.409 115 R N 3.943 124.409 120.500 -0.057 0.000 2.239 115 R HA 0.300 4.604 4.340 -0.061 0.000 0.332 115 R C -2.038 174.213 176.300 -0.081 0.000 0.988 115 R CA -2.095 53.973 56.100 -0.055 0.000 0.859 115 R CB 0.732 31.020 30.300 -0.020 0.000 1.148 115 R HN -0.228 8.017 8.270 -0.041 0.000 0.482 116 L N 7.501 128.646 121.223 -0.130 0.000 2.298 116 L HA 0.736 5.109 4.340 -0.190 -0.147 0.284 116 L C -1.054 175.765 176.870 -0.085 0.000 1.013 116 L CA -1.370 53.345 54.840 -0.208 0.000 0.824 116 L CB -0.432 41.315 42.059 -0.520 0.000 1.221 116 L HN -0.211 7.949 8.230 -0.117 0.000 0.418 117 S N 3.013 118.683 115.700 -0.050 0.000 2.643 117 S HA 0.535 5.165 4.470 0.074 -0.115 0.270 117 S C -1.695 172.917 174.600 0.021 0.000 1.166 117 S CA -0.572 57.643 58.200 0.026 0.000 0.815 117 S CB 3.649 66.875 63.200 0.043 0.000 1.139 117 S HN 0.218 8.480 8.310 -0.079 0.000 0.472 118 S N 0.829 116.560 115.700 0.051 0.000 2.693 118 S HA 0.256 4.752 4.470 0.043 0.000 0.276 118 S C -1.117 173.507 174.600 0.040 0.000 1.192 118 S CA -1.288 56.943 58.200 0.051 0.000 0.994 118 S CB 1.079 64.323 63.200 0.074 0.000 1.012 118 S HN 0.305 8.652 8.310 0.063 0.000 0.550 119 V N -2.377 117.562 119.914 0.042 0.000 2.539 119 V HA 0.233 4.392 4.120 0.030 -0.022 0.292 119 V C -0.726 175.397 176.094 0.049 0.000 1.045 119 V CA -1.856 60.467 62.300 0.038 0.000 0.945 119 V CB 1.251 33.093 31.823 0.031 0.000 0.993 119 V HN 0.191 8.409 8.190 0.047 0.000 0.464 120 S N 4.551 120.272 115.700 0.036 0.000 2.601 120 S HA 0.208 4.707 4.470 0.047 0.000 0.271 120 S C -1.771 172.845 174.600 0.027 0.000 1.305 120 S CA -1.924 56.294 58.200 0.030 0.000 1.022 120 S CB 0.326 63.529 63.200 0.005 0.000 0.940 120 S HN 0.174 8.677 8.310 0.028 -0.176 0.525 121 P HA -0.173 4.360 4.420 0.060 -0.077 0.267 121 P C 0.417 177.709 177.300 -0.014 0.000 1.200 121 P CA 0.127 63.229 63.100 0.002 0.000 0.772 121 P CB 0.568 32.195 31.700 -0.122 0.000 0.855 122 G N 3.355 112.160 108.800 0.008 0.000 2.303 122 G HA2 -0.247 3.870 3.960 0.013 0.000 0.260 122 G HA3 -0.247 3.702 3.960 -0.006 0.007 0.260 122 G C -0.260 174.650 174.900 0.018 0.000 1.106 122 G CA 0.262 45.367 45.100 0.007 0.000 0.900 122 G HN 0.079 8.270 8.290 0.026 0.114 0.495 123 Q N -1.738 118.079 119.800 0.028 0.000 2.089 123 Q HA 0.096 4.462 4.340 0.044 0.000 0.227 123 Q C 0.430 176.454 176.000 0.039 0.000 0.774 123 Q CA -0.571 55.254 55.803 0.038 0.000 0.960 123 Q CB 2.215 30.974 28.738 0.036 0.000 1.179 123 Q HN -0.303 7.984 8.270 0.029 0.000 0.460 124 G N -0.174 108.645 108.800 0.031 0.000 2.144 124 G HA2 -0.374 3.601 3.960 0.026 0.000 0.218 124 G HA3 -0.374 3.602 3.960 0.027 0.000 0.218 124 G C -1.283 173.626 174.900 0.015 0.000 0.988 124 G CA 0.136 45.251 45.100 0.025 0.000 0.659 124 G HN -0.273 8.036 8.290 0.031 0.000 0.522 125 K N -0.471 119.941 120.400 0.021 0.000 2.464 125 K HA 0.264 4.593 4.320 0.015 0.000 0.253 125 K C -1.296 175.325 176.600 0.035 0.000 0.933 125 K CA -1.513 54.786 56.287 0.020 0.000 0.801 125 K CB 2.741 35.247 32.500 0.010 0.000 1.271 125 K HN -0.391 7.876 8.250 0.027 0.000 0.430 126 D N 2.164 122.585 120.400 0.035 0.000 2.478 126 D HA -0.192 4.476 4.640 0.047 0.000 0.234 126 D C -0.399 175.936 176.300 0.058 0.000 1.154 126 D CA 1.464 55.490 54.000 0.044 0.000 0.874 126 D CB 0.374 41.194 40.800 0.035 0.000 1.198 126 D HN 0.199 8.585 8.370 0.028 0.000 0.455 127 S N -0.408 115.337 115.700 0.074 0.000 2.630 127 S HA 0.265 4.783 4.470 0.081 0.000 0.173 127 S C -2.419 172.212 174.600 0.053 0.000 1.048 127 S CA -2.799 55.462 58.200 0.100 0.000 1.172 127 S CB 0.013 63.316 63.200 0.172 0.000 1.638 127 S HN -0.274 8.076 8.310 0.067 0.000 0.429 128 P HA -0.129 4.237 4.420 -0.089 0.000 0.272 128 P C -1.998 175.180 177.300 -0.203 0.000 1.210 128 P CA 0.617 63.669 63.100 -0.081 0.000 0.789 128 P CB 0.579 32.261 31.700 -0.031 0.000 0.849 129 A N -1.056 121.605 122.820 -0.264 0.000 2.515 129 A HA 0.600 4.874 4.320 -0.232 -0.093 0.298 129 A C -1.383 176.122 177.584 -0.131 0.000 1.059 129 A CA -1.142 50.708 52.037 -0.311 0.000 0.698 129 A CB 3.377 21.974 19.000 -0.672 0.000 1.289 129 A HN -0.083 7.952 8.150 -0.192 0.000 0.404 130 I N -3.922 116.620 120.570 -0.046 0.000 3.457 130 I HA 0.513 4.664 4.170 -0.031 0.000 0.307 130 I C -2.013 174.131 176.117 0.045 0.000 1.138 130 I CA -3.195 58.101 61.300 -0.006 0.000 0.974 130 I CB 3.177 41.183 38.000 0.011 0.000 1.324 130 I HN 0.286 8.489 8.210 -0.012 0.000 0.485 131 T N -0.638 113.929 114.554 0.023 0.000 2.874 131 T HA 0.282 4.822 4.350 -0.018 -0.201 0.281 131 T C 1.797 176.577 174.700 0.134 0.000 0.994 131 T CA -1.981 60.119 62.100 -0.000 0.000 1.015 131 T CB 1.594 70.400 68.868 -0.102 0.000 1.028 131 T HN 0.191 8.432 8.240 0.001 0.000 0.523 132 H N 3.352 122.475 119.070 0.088 0.000 2.353 132 H HA -0.405 4.182 4.556 0.052 0.000 0.298 132 H C 2.323 177.664 175.328 0.021 0.000 1.103 132 H CA 3.067 59.148 56.048 0.056 0.000 1.293 132 H CB -0.214 29.578 29.762 0.050 0.000 1.372 132 H HN 0.689 8.743 8.280 -0.377 0.000 0.501 133 E N -0.643 119.624 120.200 0.111 0.000 2.033 133 E HA -0.417 3.968 4.350 0.058 0.000 0.199 133 E C 2.617 179.243 176.600 0.044 0.000 1.011 133 E CA 3.444 59.876 56.400 0.055 0.000 0.815 133 E CB -0.525 29.185 29.700 0.017 0.000 0.755 133 E HN -0.486 7.899 8.360 0.057 0.010 0.451 134 E N -1.039 119.184 120.200 0.038 0.000 2.204 134 E HA -0.255 4.108 4.350 0.021 0.000 0.194 134 E C 2.057 178.679 176.600 0.036 0.000 0.989 134 E CA 2.277 58.694 56.400 0.030 0.000 0.824 134 E CB -0.449 29.265 29.700 0.022 0.000 0.756 134 E HN -0.392 7.988 8.360 0.033 0.000 0.477 135 A N 0.854 123.709 122.820 0.058 0.000 1.841 135 A HA -0.228 4.114 4.320 0.037 0.000 0.214 135 A C 1.662 179.256 177.584 0.017 0.000 1.195 135 A CA 3.154 55.218 52.037 0.045 0.000 0.611 135 A CB -0.356 18.685 19.000 0.068 0.000 0.835 135 A HN 0.100 8.184 8.150 0.084 0.116 0.443 136 L N -2.927 118.307 121.223 0.019 0.000 2.127 136 L HA -0.446 3.880 4.340 -0.023 0.000 0.211 136 L C 2.660 179.528 176.870 -0.004 0.000 1.089 136 L CA 2.878 57.715 54.840 -0.004 0.000 0.757 136 L CB -0.504 41.556 42.059 0.002 0.000 0.899 136 L HN 0.298 8.555 8.230 0.045 0.000 0.434 137 A N -1.244 121.580 122.820 0.007 0.000 1.898 137 A HA -0.305 4.016 4.320 0.001 0.000 0.216 137 A C 1.799 179.384 177.584 0.002 0.000 1.181 137 A CA 2.765 54.804 52.037 0.005 0.000 0.620 137 A CB -0.448 18.558 19.000 0.010 0.000 0.819 137 A HN -0.371 7.683 8.150 0.018 0.107 0.442 138 M N -0.527 119.075 119.600 0.005 0.000 2.064 138 M HA -0.404 4.079 4.480 0.005 0.000 0.260 138 M C 2.344 178.638 176.300 -0.011 0.000 1.073 138 M CA 4.597 59.899 55.300 0.003 0.000 1.124 138 M CB 0.458 33.065 32.600 0.010 0.000 1.326 138 M HN -0.285 7.921 8.290 0.010 0.090 0.410 139 I N -2.690 117.870 120.570 -0.018 0.000 2.479 139 I HA -0.528 3.619 4.170 -0.037 0.000 0.258 139 I C 0.648 176.745 176.117 -0.033 0.000 1.165 139 I CA 3.421 64.701 61.300 -0.032 0.000 1.422 139 I CB -0.978 36.996 38.000 -0.042 0.000 1.087 139 I HN -0.065 8.138 8.210 -0.012 0.000 0.441 140 K N -1.816 118.570 120.400 -0.025 0.000 2.067 140 K HA -0.224 4.080 4.320 -0.027 0.000 0.203 140 K C 0.788 177.380 176.600 -0.015 0.000 1.048 140 K CA 2.333 58.607 56.287 -0.021 0.000 0.954 140 K CB 0.389 32.879 32.500 -0.016 0.000 0.737 140 K HN -0.595 7.483 8.250 -0.019 0.161 0.444 141 D N -2.158 118.236 120.400 -0.010 0.000 2.249 141 D HA -0.015 4.623 4.640 -0.003 0.000 0.205 141 D C 0.524 176.818 176.300 -0.012 0.000 0.962 141 D CA 1.191 55.188 54.000 -0.005 0.000 0.860 141 D CB 0.342 41.143 40.800 0.003 0.000 0.955 141 D HN -0.787 7.578 8.370 -0.008 0.000 0.505 142 c N 4.647 123.234 118.600 -0.023 0.000 2.419 142 c HA -0.210 4.628 4.570 -0.035 -0.289 0.398 142 c C -1.502 172.549 174.090 -0.066 0.000 1.498 142 c CA 0.728 57.028 56.329 -0.048 0.000 1.494 142 c CB -0.666 41.803 42.510 -0.068 0.000 2.485 142 c HN 0.277 8.388 8.230 -0.020 0.106 0.608 143 E N 8.481 128.640 120.200 -0.068 0.000 2.278 143 E HA 0.699 5.212 4.350 -0.073 -0.207 0.272 143 E C -2.049 174.506 176.600 -0.076 0.000 0.890 143 E CA -1.617 54.747 56.400 -0.061 0.000 0.770 143 E CB 4.429 34.120 29.700 -0.014 0.000 1.212 143 E HN -0.210 8.120 8.360 -0.051 0.000 0.415 144 V N 2.852 122.697 119.914 -0.116 0.000 2.448 144 V HA 0.645 4.980 4.120 0.068 -0.175 0.295 144 V C -1.249 174.894 176.094 0.080 0.000 1.025 144 V CA -2.626 59.640 62.300 -0.056 0.000 0.859 144 V CB 2.118 33.731 31.823 -0.350 0.000 0.988 144 V HN -0.019 8.101 8.190 -0.115 0.000 0.431 145 S N 5.211 121.036 115.700 0.208 0.000 2.690 145 S HA 0.808 5.431 4.470 0.064 -0.114 0.291 145 S C -0.457 174.289 174.600 0.245 0.000 1.138 145 S CA -1.730 56.570 58.200 0.166 0.000 1.013 145 S CB 2.348 65.650 63.200 0.170 0.000 1.053 145 S HN -0.321 8.177 8.310 0.313 0.000 0.539 146 I N -2.408 118.252 120.570 0.149 0.000 2.827 146 I HA 0.595 5.151 4.170 0.295 -0.209 0.298 146 I C -1.768 174.428 176.117 0.132 0.000 1.235 146 I CA -0.674 60.739 61.300 0.187 0.000 1.021 146 I CB 4.636 42.721 38.000 0.142 0.000 1.259 146 I HN 0.438 8.687 8.210 0.064 0.000 0.427 147 D N 3.871 124.371 120.400 0.167 0.000 2.445 147 D HA 0.418 5.299 4.640 0.082 -0.192 0.236 147 D C -0.845 175.529 176.300 0.124 0.000 1.315 147 D CA 0.016 54.092 54.000 0.126 0.000 0.924 147 D CB 1.926 42.813 40.800 0.144 0.000 1.447 147 D HN -0.061 8.433 8.370 0.205 0.000 0.532 148 I N -1.550 119.088 120.570 0.113 0.000 2.662 148 I HA 0.292 4.720 4.170 0.103 -0.195 0.291 148 I C -1.138 175.024 176.117 0.075 0.000 1.046 148 I CA -1.801 59.559 61.300 0.101 0.000 1.361 148 I CB 0.646 38.710 38.000 0.106 0.000 1.429 148 I HN -0.103 8.173 8.210 0.110 0.000 0.558 149 R N 2.453 122.992 120.500 0.066 0.000 2.795 149 R HA 0.380 4.751 4.340 0.051 0.000 0.268 149 R C -2.421 173.906 176.300 0.045 0.000 1.041 149 R CA -1.021 55.110 56.100 0.053 0.000 0.927 149 R CB 4.298 34.629 30.300 0.050 0.000 1.235 149 R HN 0.225 8.535 8.270 0.066 0.000 0.463 150 c N 1.995 120.618 118.600 0.039 0.000 2.303 150 c HA 0.370 4.960 4.570 0.034 0.000 0.341 150 c C 0.132 174.239 174.090 0.028 0.000 1.244 150 c CA -0.713 55.636 56.329 0.033 0.000 1.765 150 c CB -2.176 40.352 42.510 0.030 0.000 2.379 150 c HN 0.631 8.883 8.230 0.038 0.000 0.530 151 S N 7.964 123.680 115.700 0.026 0.000 2.666 151 S HA 0.133 4.617 4.470 0.022 0.000 0.279 151 S C -0.732 173.879 174.600 0.018 0.000 1.149 151 S CA -0.626 57.587 58.200 0.022 0.000 1.020 151 S CB 1.961 65.174 63.200 0.022 0.000 1.127 151 S HN 0.344 8.584 8.310 0.027 0.087 0.537 152 E N -1.283 118.927 120.200 0.016 0.000 2.614 152 E HA 0.025 4.383 4.350 0.013 0.000 0.192 152 E C -1.348 175.259 176.600 0.011 0.000 0.930 152 E CA 0.604 57.011 56.400 0.013 0.000 1.346 152 E CB 0.824 30.531 29.700 0.012 0.000 1.252 152 E HN 0.333 8.702 8.360 0.016 0.000 0.647 153 E N 0.745 120.952 120.200 0.012 0.000 2.271 153 E HA -0.177 4.179 4.350 0.009 0.000 0.255 153 E C 0.047 176.653 176.600 0.010 0.000 1.177 153 E CA 0.615 57.021 56.400 0.010 0.000 0.946 153 E CB -0.732 28.974 29.700 0.010 0.000 1.009 153 E HN -0.029 8.339 8.360 0.013 0.000 0.451 154 E N 3.353 123.558 120.200 0.008 0.000 2.485 154 E HA -0.236 4.119 4.350 0.008 0.000 0.194 154 E C -0.329 176.275 176.600 0.007 0.000 1.098 154 E CA 0.142 56.547 56.400 0.008 0.000 0.878 154 E CB -0.275 29.429 29.700 0.007 0.000 0.939 154 E HN 0.089 8.454 8.360 0.008 0.000 0.503 155 K N -1.122 119.283 120.400 0.007 0.000 2.457 155 K HA -0.226 4.098 4.320 0.006 0.000 0.269 155 K C 0.175 176.780 176.600 0.007 0.000 0.969 155 K CA 0.198 56.489 56.287 0.007 0.000 0.921 155 K CB 0.233 32.737 32.500 0.007 0.000 0.940 155 K HN -0.278 7.863 8.250 0.008 0.113 0.517 156 D N -1.769 118.635 120.400 0.007 0.000 2.398 156 D HA -0.141 4.504 4.640 0.007 0.000 0.247 156 D C -0.138 176.167 176.300 0.008 0.000 1.227 156 D CA -0.203 53.802 54.000 0.007 0.000 0.980 156 D CB 0.755 41.559 40.800 0.007 0.000 1.106 156 D HN -0.004 8.370 8.370 0.007 0.000 0.493 157 S N -2.492 113.213 115.700 0.009 0.000 2.525 157 S HA 0.072 4.548 4.470 0.010 0.000 0.278 157 S C -0.631 173.975 174.600 0.010 0.000 1.234 157 S CA -0.336 57.870 58.200 0.010 0.000 1.058 157 S CB 1.225 64.431 63.200 0.010 0.000 0.983 157 S HN -0.008 8.307 8.310 0.008 0.000 0.495 158 D N 5.721 126.127 120.400 0.011 0.000 2.477 158 D HA 0.364 5.011 4.640 0.012 0.000 0.239 158 D C -1.230 175.079 176.300 0.014 0.000 1.102 158 D CA -0.032 53.976 54.000 0.012 0.000 0.901 158 D CB 0.368 41.175 40.800 0.011 0.000 1.026 158 D HN 0.239 8.503 8.370 0.012 0.113 0.515 159 I N -3.436 117.143 120.570 0.016 0.000 3.264 159 I HA 0.822 5.160 4.170 0.020 -0.155 0.309 159 I C -1.179 174.954 176.117 0.026 0.000 1.099 159 I CA -3.099 58.213 61.300 0.020 0.000 0.989 159 I CB 3.477 41.489 38.000 0.020 0.000 1.250 159 I HN -0.469 7.751 8.210 0.015 0.000 0.478 160 K N 0.426 120.848 120.400 0.037 0.000 2.443 160 K HA 0.430 4.778 4.320 0.046 0.000 0.252 160 K C 0.315 176.957 176.600 0.070 0.000 0.933 160 K CA -1.088 55.232 56.287 0.055 0.000 0.792 160 K CB 2.656 35.195 32.500 0.065 0.000 1.185 160 K HN -0.221 8.052 8.250 0.038 0.000 0.425 161 T N 1.436 116.026 114.554 0.060 0.000 3.139 161 T HA -0.210 4.158 4.350 0.031 0.000 0.267 161 T C 0.321 175.050 174.700 0.048 0.000 1.164 161 T CA 1.533 63.657 62.100 0.041 0.000 1.075 161 T CB 0.030 68.909 68.868 0.019 0.000 0.904 161 T HN 0.176 8.448 8.240 0.052 0.000 0.540 162 H N 3.467 122.540 119.070 0.005 0.000 2.878 162 H HA 0.200 4.759 4.556 0.005 0.000 0.290 162 H C -1.441 173.890 175.328 0.005 0.000 1.065 162 H CA -2.736 53.315 56.048 0.005 0.000 1.477 162 H CB 0.460 30.226 29.762 0.006 0.000 1.484 162 H HN -0.438 7.824 8.280 0.184 0.128 0.504 163 P HA -0.212 4.235 4.420 0.045 0.000 0.269 163 P C -1.545 175.872 177.300 0.195 0.000 1.200 163 P CA 0.163 63.309 63.100 0.078 0.000 0.779 163 P CB 0.792 32.485 31.700 -0.011 0.000 0.841 164 V N 0.912 120.887 119.914 0.103 0.000 2.530 164 V HA -0.074 4.097 4.120 0.086 0.000 0.282 164 V C -0.325 175.814 176.094 0.075 0.000 1.048 164 V CA -0.140 62.209 62.300 0.081 0.000 0.997 164 V CB 0.661 32.512 31.823 0.046 0.000 0.987 164 V HN 0.127 8.357 8.190 0.067 0.000 0.477 165 L N 8.821 130.082 121.223 0.062 0.000 2.315 165 L HA 0.131 4.509 4.340 0.063 0.000 0.283 165 L C -0.309 176.581 176.870 0.034 0.000 1.089 165 L CA -0.534 54.336 54.840 0.050 0.000 0.833 165 L CB -0.173 41.905 42.059 0.032 0.000 1.170 165 L HN 0.189 8.448 8.230 0.048 0.000 0.442 166 G N 0.592 109.411 108.800 0.032 0.000 2.528 166 G HA2 0.224 4.201 3.960 0.029 0.000 0.289 166 G HA3 0.224 4.198 3.960 0.024 0.000 0.289 166 G C -1.369 173.542 174.900 0.018 0.000 1.192 166 G CA -0.799 44.316 45.100 0.026 0.000 0.921 166 G HN -0.001 8.310 8.290 0.035 0.000 0.512 167 S N -1.003 114.702 115.700 0.009 0.000 2.577 167 S HA 0.080 4.608 4.470 0.015 -0.049 0.219 167 S C 0.200 174.791 174.600 -0.015 0.000 0.962 167 S CA -0.659 57.543 58.200 0.003 0.000 0.921 167 S CB 0.427 63.627 63.200 -0.001 0.000 0.789 167 S HN 0.397 8.713 8.310 0.009 0.000 0.497 168 N N -3.544 115.146 118.700 -0.018 0.000 2.809 168 N HA -0.362 4.366 4.740 -0.020 0.000 0.244 168 N C -1.042 174.437 175.510 -0.050 0.000 1.018 168 N CA 1.773 54.808 53.050 -0.026 0.000 0.917 168 N CB -1.580 36.895 38.487 -0.020 0.000 1.130 168 N HN 0.200 8.491 8.380 -0.008 0.085 0.591 169 I N -1.978 118.543 120.570 -0.081 0.000 2.440 169 I HA -0.002 4.110 4.170 -0.097 0.000 0.294 169 I C -0.803 175.176 176.117 -0.229 0.000 0.995 169 I CA -0.944 60.278 61.300 -0.130 0.000 1.306 169 I CB 1.554 39.474 38.000 -0.134 0.000 1.407 169 I HN -0.410 7.626 8.210 -0.072 0.131 0.501 170 S N 6.119 121.693 115.700 -0.210 0.000 2.549 170 S HA 0.202 4.518 4.470 -0.256 0.000 0.297 170 S C -0.192 174.235 174.600 -0.288 0.000 1.115 170 S CA -0.999 57.067 58.200 -0.224 0.000 1.059 170 S CB 2.186 65.342 63.200 -0.074 0.000 1.046 170 S HN 0.073 8.295 8.310 -0.147 0.000 0.506 171 H N 4.260 123.327 119.070 -0.004 0.000 2.930 171 H HA -0.006 4.548 4.556 -0.003 0.000 0.307 171 H C -0.548 174.777 175.328 -0.005 0.000 1.247 171 H CA -0.361 55.685 56.048 -0.004 0.000 1.181 171 H CB -2.240 27.521 29.762 -0.002 0.000 1.390 171 H HN 0.412 8.660 8.280 -0.055 0.000 0.549 172 K N -2.075 118.350 120.400 0.041 0.000 2.202 172 K HA -0.003 4.342 4.320 0.042 0.000 0.238 172 K C 0.117 176.733 176.600 0.028 0.000 1.070 172 K CA -0.390 55.915 56.287 0.030 0.000 0.859 172 K CB 1.007 33.509 32.500 0.004 0.000 1.140 172 K HN -0.510 7.614 8.250 -0.014 0.118 0.515 173 K N -0.085 120.326 120.400 0.018 0.000 2.227 173 K HA -0.009 4.326 4.320 0.024 0.000 0.280 173 K C -1.106 175.502 176.600 0.013 0.000 1.041 173 K CA -0.222 56.076 56.287 0.018 0.000 0.905 173 K CB 0.240 32.749 32.500 0.015 0.000 1.068 173 K HN 0.134 8.392 8.250 0.014 0.000 0.470 174 V N 1.688 121.612 119.914 0.018 0.000 3.230 174 V HA 0.114 4.237 4.120 0.006 0.000 0.302 174 V C -1.641 174.464 176.094 0.019 0.000 1.421 174 V CA -2.542 59.761 62.300 0.006 0.000 1.065 174 V CB 2.965 34.777 31.823 -0.020 0.000 1.097 174 V HN 0.086 8.292 8.190 0.026 0.000 0.460 175 S N 1.068 116.753 115.700 -0.025 0.000 2.711 175 S HA -0.249 4.176 4.470 -0.075 0.000 0.320 175 S C -0.451 174.101 174.600 -0.080 0.000 1.240 175 S CA 0.950 59.090 58.200 -0.099 0.000 1.034 175 S CB 0.631 63.721 63.200 -0.184 0.000 0.741 175 S HN 0.094 8.380 8.310 -0.040 0.000 0.496 176 Y N 0.823 121.102 120.300 -0.035 0.000 2.327 176 Y HA 0.707 5.448 4.550 -0.044 -0.217 0.336 176 Y C -0.308 175.574 175.900 -0.030 0.000 1.035 176 Y CA -2.366 55.711 58.100 -0.040 0.000 1.165 176 Y CB 0.913 39.344 38.460 -0.049 0.000 1.181 176 Y HN -0.113 7.886 8.280 -0.467 0.000 0.494 177 E N 4.776 124.992 120.200 0.027 0.000 2.281 177 E HA 0.173 4.513 4.350 -0.016 0.000 0.266 177 E C -1.411 175.221 176.600 0.054 0.000 0.893 177 E CA -1.646 54.751 56.400 -0.005 0.000 0.798 177 E CB 3.105 32.766 29.700 -0.065 0.000 1.245 177 E HN 0.276 8.673 8.360 0.061 0.000 0.410 178 D N 7.063 127.515 120.400 0.087 0.000 2.359 178 D HA -0.105 4.616 4.640 0.136 0.000 0.273 178 D C -0.347 175.988 176.300 0.058 0.000 1.362 178 D CA 1.812 55.873 54.000 0.102 0.000 1.010 178 D CB -0.607 40.261 40.800 0.114 0.000 1.090 178 D HN 0.345 8.775 8.370 0.100 0.000 0.521 179 I N 1.311 121.911 120.570 0.051 0.000 3.445 179 I HA 0.020 4.181 4.170 -0.014 0.000 0.288 179 I C 0.324 176.438 176.117 -0.006 0.000 1.198 179 I CA -0.147 61.153 61.300 -0.001 0.000 1.417 179 I CB 1.686 39.665 38.000 -0.036 0.000 1.205 179 I HN -0.370 8.003 8.210 0.079 -0.115 0.448 180 I N 0.733 121.329 120.570 0.043 0.000 2.581 180 I HA -0.262 4.025 4.170 -0.032 -0.136 0.285 180 I C 0.884 176.973 176.117 -0.046 0.000 1.129 180 I CA 1.245 62.546 61.300 0.001 0.000 1.397 180 I CB -0.506 37.522 38.000 0.047 0.000 1.399 180 I HN -0.751 7.643 8.210 0.104 -0.121 0.537 181 G N 7.547 116.309 108.800 -0.062 0.000 3.152 181 G HA2 -0.012 3.917 3.960 -0.052 0.000 0.157 181 G HA3 -0.012 4.102 3.960 -0.031 -0.172 0.157 181 G C -1.175 173.650 174.900 -0.124 0.000 1.786 181 G CA -0.457 44.605 45.100 -0.063 0.000 1.055 181 G HN 0.415 8.566 8.290 -0.048 0.110 0.528 182 S N 0.356 116.003 115.700 -0.089 0.000 2.592 182 S HA -0.021 4.356 4.470 -0.156 0.000 0.271 182 S C -0.438 174.063 174.600 -0.164 0.000 1.326 182 S CA 0.428 58.557 58.200 -0.120 0.000 1.024 182 S CB 0.684 63.847 63.200 -0.061 0.000 0.921 182 S HN -0.066 8.219 8.310 -0.042 0.000 0.527 183 T N 2.539 116.954 114.554 -0.232 0.000 3.089 183 T HA 0.239 4.651 4.350 -0.197 -0.180 0.340 183 T C -1.353 173.221 174.700 -0.210 0.000 1.008 183 T CA -1.150 60.778 62.100 -0.288 0.000 1.096 183 T CB 0.959 69.457 68.868 -0.618 0.000 1.024 183 T HN -0.136 7.969 8.240 -0.224 0.000 0.477 184 I N 7.444 127.957 120.570 -0.096 0.000 2.331 184 I HA 0.270 4.387 4.170 -0.089 0.000 0.292 184 I C -1.812 174.287 176.117 -0.030 0.000 0.998 184 I CA -0.916 60.347 61.300 -0.061 0.000 1.267 184 I CB 0.506 38.498 38.000 -0.014 0.000 1.386 184 I HN 0.440 8.620 8.210 -0.051 0.000 0.476 185 V N 1.067 120.953 119.914 -0.047 0.000 2.525 185 V HA 0.431 4.571 4.120 0.033 0.000 0.299 185 V C -1.582 174.535 176.094 0.038 0.000 1.034 185 V CA -2.386 59.914 62.300 -0.001 0.000 0.863 185 V CB 2.503 34.293 31.823 -0.055 0.000 0.999 185 V HN 0.136 8.283 8.190 -0.072 0.000 0.423 186 D N 6.592 127.025 120.400 0.054 0.000 2.411 186 D HA 0.241 4.913 4.640 0.054 0.000 0.225 186 D C 0.706 177.050 176.300 0.073 0.000 1.156 186 D CA -1.259 52.776 54.000 0.057 0.000 0.874 186 D CB 0.607 41.435 40.800 0.046 0.000 1.034 186 D HN 0.189 8.592 8.370 0.054 0.000 0.502 187 T N 8.287 122.894 114.554 0.089 0.000 2.760 187 T HA -0.463 4.134 4.350 0.123 -0.173 0.269 187 T C 2.032 176.771 174.700 0.065 0.000 1.047 187 T CA 2.855 65.012 62.100 0.095 0.000 1.139 187 T CB 0.138 69.059 68.868 0.088 0.000 0.855 187 T HN 0.421 8.715 8.240 0.090 0.000 0.471 188 K N -0.112 120.319 120.400 0.052 0.000 2.259 188 K HA -0.319 4.022 4.320 0.035 0.000 0.206 188 K C -0.488 176.135 176.600 0.038 0.000 1.044 188 K CA 2.230 58.541 56.287 0.040 0.000 0.931 188 K CB -0.032 32.489 32.500 0.035 0.000 0.726 188 K HN -0.386 8.048 8.250 0.053 -0.153 0.467 189 c N -4.484 114.144 118.600 0.046 0.000 3.680 189 c HA 0.225 4.816 4.570 0.035 0.000 0.301 189 c C -1.990 172.129 174.090 0.049 0.000 2.566 189 c CA -1.620 54.733 56.329 0.041 0.000 1.614 189 c CB 0.018 42.549 42.510 0.036 0.000 3.388 189 c HN -0.319 7.895 8.230 0.055 0.049 0.384 190 V N -3.090 116.863 119.914 0.065 0.000 2.614 190 V HA 0.503 4.795 4.120 0.060 -0.136 0.281 190 V C -1.584 174.573 176.094 0.106 0.000 1.031 190 V CA -0.950 61.399 62.300 0.081 0.000 0.899 190 V CB 1.575 33.457 31.823 0.099 0.000 1.037 190 V HN -0.480 7.635 8.190 0.070 0.116 0.456 191 K N 6.327 126.769 120.400 0.071 0.000 2.005 191 K HA -0.157 4.194 4.320 0.053 0.000 0.206 191 K C -0.701 175.938 176.600 0.063 0.000 1.044 191 K CA 2.855 59.174 56.287 0.053 0.000 0.942 191 K CB 0.751 33.263 32.500 0.020 0.000 0.727 191 K HN 0.332 8.613 8.250 0.051 0.000 0.439 192 N N -3.200 115.536 118.700 0.060 0.000 2.471 192 N HA 0.334 5.248 4.740 0.068 -0.133 0.288 192 N C -1.546 174.021 175.510 0.095 0.000 1.220 192 N CA -1.028 52.061 53.050 0.066 0.000 0.893 192 N CB 3.305 41.797 38.487 0.008 0.000 1.256 192 N HN -0.782 7.624 8.380 0.042 0.000 0.534 193 L N 0.365 121.633 121.223 0.076 0.000 2.973 193 L HA 0.166 4.573 4.340 -0.229 -0.205 0.254 193 L C -2.493 174.151 176.870 -0.376 0.000 0.947 193 L CA 0.325 55.071 54.840 -0.156 0.000 1.064 193 L CB 3.251 45.281 42.059 -0.049 0.000 1.534 193 L HN 0.865 9.074 8.230 0.104 0.084 0.504 194 E N 2.378 122.305 120.200 -0.455 0.000 2.175 194 E HA 0.432 4.707 4.350 -0.126 0.000 0.278 194 E C -0.991 175.259 176.600 -0.582 0.000 0.969 194 E CA -2.385 53.813 56.400 -0.338 0.000 0.796 194 E CB 1.718 31.331 29.700 -0.144 0.000 1.104 194 E HN 0.620 8.756 8.360 -0.374 0.000 0.395 195 F N 3.999 124.012 119.950 0.106 0.000 2.482 195 F HA 0.266 4.824 4.527 0.051 0.000 0.331 195 F C -0.262 175.585 175.800 0.079 0.000 1.115 195 F CA -0.802 57.256 58.000 0.098 0.000 0.955 195 F CB 2.725 41.826 39.000 0.168 0.000 1.136 195 F HN -0.091 8.349 8.300 0.235 0.000 0.452 196 S N 2.303 118.113 115.700 0.184 0.000 2.619 196 S HA 0.533 5.243 4.470 0.125 -0.165 0.280 196 S C -1.683 172.986 174.600 0.114 0.000 1.150 196 S CA -0.017 58.247 58.200 0.106 0.000 0.978 196 S CB 2.592 65.789 63.200 -0.006 0.000 1.041 196 S HN 0.006 8.413 8.310 0.161 0.000 0.485 197 V N 3.647 123.635 119.914 0.124 0.000 3.102 197 V HA 0.912 5.308 4.120 0.120 -0.204 0.312 197 V C -1.919 174.232 176.094 0.094 0.000 1.135 197 V CA -2.252 60.110 62.300 0.104 0.000 1.022 197 V CB 4.493 36.347 31.823 0.052 0.000 1.056 197 V HN 0.447 8.706 8.190 0.114 0.000 0.436 198 R N 1.169 121.706 120.500 0.062 0.000 2.663 198 R HA 0.419 4.881 4.340 0.010 -0.117 0.267 198 R C -2.515 173.776 176.300 -0.015 0.000 1.038 198 R CA -0.517 55.594 56.100 0.017 0.000 0.886 198 R CB 4.558 34.858 30.300 -0.001 0.000 1.249 198 R HN 0.316 8.619 8.270 0.054 0.000 0.463 199 I N 1.387 121.937 120.570 -0.032 0.000 2.586 199 I HA 0.479 4.778 4.170 -0.023 -0.143 0.288 199 I C -2.036 174.055 176.117 -0.043 0.000 1.147 199 I CA -0.722 60.557 61.300 -0.034 0.000 1.047 199 I CB 3.439 41.416 38.000 -0.039 0.000 1.244 199 I HN -0.237 7.952 8.210 -0.035 0.000 0.429 200 G N 3.471 112.250 108.800 -0.035 0.000 2.500 200 G HA2 0.276 4.398 3.960 -0.062 0.000 0.299 200 G HA3 0.276 4.576 3.960 -0.060 -0.376 0.299 200 G C -2.989 171.901 174.900 -0.016 0.000 1.242 200 G CA 0.389 45.461 45.100 -0.047 0.000 0.859 200 G HN -0.412 7.866 8.290 -0.020 0.000 0.481 201 D N -0.315 120.071 120.400 -0.023 0.000 2.345 201 D HA 0.097 4.922 4.640 0.101 -0.124 0.247 201 D C 0.261 176.586 176.300 0.041 0.000 1.108 201 D CA 0.830 54.857 54.000 0.046 0.000 0.894 201 D CB 0.665 41.499 40.800 0.057 0.000 1.203 201 D HN -0.328 8.197 8.370 -0.060 -0.191 0.430 202 M N 1.839 121.485 119.600 0.076 0.000 2.428 202 M HA 0.191 4.776 4.480 0.009 -0.099 0.239 202 M C -0.151 176.147 176.300 -0.004 0.000 1.121 202 M CA 0.561 55.881 55.300 0.034 0.000 1.019 202 M CB 0.462 33.098 32.600 0.059 0.000 1.485 202 M HN -0.020 8.354 8.290 0.140 0.000 0.484 203 c N -3.161 115.442 118.600 0.006 0.000 2.406 203 c HA 0.006 4.533 4.570 -0.072 0.000 0.343 203 c C -0.146 173.943 174.090 -0.003 0.000 1.397 203 c CA 0.440 56.747 56.329 -0.037 0.000 2.069 203 c CB 0.633 43.101 42.510 -0.069 0.000 2.374 203 c HN -0.029 8.168 8.230 0.061 0.070 0.545 204 K N -0.094 120.327 120.400 0.034 0.000 2.587 204 K HA 0.003 4.325 4.320 0.002 0.000 0.256 204 K C -1.957 174.652 176.600 0.016 0.000 0.974 204 K CA -0.005 56.295 56.287 0.023 0.000 0.855 204 K CB 0.780 33.299 32.500 0.032 0.000 1.292 204 K HN -0.575 7.718 8.250 0.070 0.000 0.444 205 E N 6.079 126.269 120.200 -0.016 0.000 2.521 205 E HA -0.192 4.344 4.350 -0.057 -0.220 0.270 205 E C -1.188 175.372 176.600 -0.068 0.000 1.082 205 E CA 1.327 57.699 56.400 -0.046 0.000 0.997 205 E CB 0.401 30.074 29.700 -0.045 0.000 0.990 205 E HN 0.162 8.511 8.360 -0.018 0.000 0.458 206 S N 3.395 119.022 115.700 -0.121 0.000 3.082 206 S HA 0.149 4.545 4.470 -0.123 0.000 0.253 206 S C 0.172 174.680 174.600 -0.154 0.000 0.961 206 S CA -0.436 57.661 58.200 -0.172 0.000 1.129 206 S CB 0.700 63.682 63.200 -0.362 0.000 1.083 206 S HN 0.394 8.632 8.310 -0.121 0.000 0.605 207 S N 1.734 117.368 115.700 -0.110 0.000 4.151 207 S HA -0.570 3.853 4.470 -0.078 0.000 0.533 207 S C 1.767 176.300 174.600 -0.112 0.000 1.753 207 S CA 3.116 61.260 58.200 -0.093 0.000 4.124 207 S CB -1.978 61.176 63.200 -0.076 0.000 0.941 207 S HN 0.315 8.569 8.310 -0.094 0.000 0.454 208 E N 2.863 122.988 120.200 -0.126 0.000 2.097 208 E HA -0.290 3.993 4.350 -0.112 0.000 0.196 208 E C 0.797 177.312 176.600 -0.142 0.000 1.000 208 E CA 2.213 58.536 56.400 -0.129 0.000 0.804 208 E CB -0.154 29.467 29.700 -0.132 0.000 0.740 208 E HN 0.048 8.315 8.360 -0.125 0.018 0.454 209 L N -4.016 117.098 121.223 -0.182 0.000 2.554 209 L HA -0.035 4.218 4.340 -0.144 0.000 0.226 209 L C -0.751 176.042 176.870 -0.128 0.000 1.137 209 L CA 0.144 54.879 54.840 -0.175 0.000 0.863 209 L CB 0.602 42.494 42.059 -0.279 0.000 0.985 209 L HN -0.829 7.168 8.230 -0.214 0.104 0.451 210 E N -2.129 118.001 120.200 -0.118 0.000 2.216 210 E HA 0.369 4.837 4.350 -0.082 -0.168 0.279 210 E C -0.481 176.068 176.600 -0.084 0.000 0.997 210 E CA -0.915 55.431 56.400 -0.090 0.000 0.817 210 E CB 1.231 30.883 29.700 -0.081 0.000 1.096 210 E HN -0.354 7.703 8.360 -0.126 0.227 0.393 211 V N -4.678 115.195 119.914 -0.068 0.000 3.130 211 V HA 0.875 5.094 4.120 -0.074 -0.144 0.308 211 V C -2.209 173.866 176.094 -0.031 0.000 1.413 211 V CA -2.594 59.668 62.300 -0.064 0.000 1.053 211 V CB 3.517 35.293 31.823 -0.077 0.000 1.075 211 V HN -0.199 7.954 8.190 -0.061 0.000 0.465 212 K N -3.550 116.844 120.400 -0.011 0.000 2.685 212 K HA 0.504 4.971 4.320 0.018 -0.136 0.290 212 K C -2.236 174.381 176.600 0.030 0.000 1.018 212 K CA -0.598 55.700 56.287 0.017 0.000 0.860 212 K CB 3.419 35.935 32.500 0.027 0.000 1.498 212 K HN 0.183 8.423 8.250 -0.018 0.000 0.390 213 D N -1.075 119.343 120.400 0.029 0.000 2.692 213 D HA 0.275 4.892 4.640 -0.038 0.000 0.290 213 D C -2.074 174.226 176.300 -0.001 0.000 1.281 213 D CA -0.939 53.062 54.000 0.002 0.000 0.804 213 D CB 3.646 44.476 40.800 0.049 0.000 1.331 213 D HN -0.130 8.266 8.370 0.043 0.000 0.432 214 G N -2.926 105.803 108.800 -0.120 0.000 2.339 214 G HA2 0.209 4.378 3.960 0.313 0.000 0.302 214 G HA3 0.209 4.260 3.960 0.047 -0.063 0.302 214 G C -2.626 172.059 174.900 -0.357 0.000 1.425 214 G CA 0.363 45.474 45.100 0.018 0.000 0.899 214 G HN -0.055 8.035 8.290 -0.332 0.000 0.619 215 F N -2.649 117.427 119.950 0.210 0.000 2.754 215 F HA 0.435 5.147 4.527 0.140 -0.101 0.320 215 F C -1.532 174.414 175.800 0.245 0.000 1.156 215 F CA -1.343 56.785 58.000 0.213 0.000 0.950 215 F CB 5.342 44.477 39.000 0.224 0.000 1.388 215 F HN -0.263 8.367 8.300 0.551 0.000 0.485 216 K N -1.183 119.477 120.400 0.434 0.000 2.656 216 K HA 0.367 5.010 4.320 0.236 -0.181 0.241 216 K C -1.874 174.922 176.600 0.326 0.000 0.967 216 K CA -0.667 55.788 56.287 0.281 0.000 0.946 216 K CB 2.014 34.601 32.500 0.145 0.000 1.164 216 K HN 0.165 8.706 8.250 0.484 0.000 0.459 217 Y N 7.512 127.915 120.300 0.172 0.000 2.353 217 Y HA 0.255 5.083 4.550 0.147 -0.189 0.340 217 Y C -2.156 173.783 175.900 0.065 0.000 0.972 217 Y CA -1.084 57.103 58.100 0.145 0.000 1.157 217 Y CB 1.892 40.486 38.460 0.223 0.000 1.157 217 Y HN 0.364 8.930 8.280 0.364 -0.068 0.495 218 V N 7.733 127.493 119.914 -0.257 0.000 2.567 218 V HA 0.221 4.272 4.120 -0.115 0.000 0.298 218 V C -1.515 174.417 176.094 -0.271 0.000 1.047 218 V CA -1.489 60.701 62.300 -0.183 0.000 0.880 218 V CB 2.446 34.221 31.823 -0.081 0.000 1.009 218 V HN 0.862 8.709 8.190 -0.376 0.117 0.429 219 D N 9.860 130.133 120.400 -0.213 0.000 2.708 219 D HA -0.336 4.239 4.640 -0.109 0.000 0.236 219 D C 0.236 176.385 176.300 -0.252 0.000 1.146 219 D CA 1.044 54.943 54.000 -0.168 0.000 0.662 219 D CB -0.704 40.035 40.800 -0.103 0.000 1.059 219 D HN 0.458 8.740 8.370 -0.146 0.000 0.428 220 G N -4.739 103.760 108.800 -0.501 0.000 2.184 220 G HA2 -0.526 3.090 3.960 -0.575 0.000 0.264 220 G HA3 -0.526 3.325 3.960 -0.183 0.000 0.264 220 G C -0.593 174.002 174.900 -0.509 0.000 0.975 220 G CA 0.193 44.996 45.100 -0.495 0.000 0.642 220 G HN 0.194 8.090 8.290 -0.648 0.005 0.536 221 S N 2.370 117.763 115.700 -0.511 0.000 2.422 221 S HA 0.185 4.577 4.470 -0.130 0.000 0.298 221 S C -1.507 172.981 174.600 -0.186 0.000 1.118 221 S CA -1.519 56.536 58.200 -0.242 0.000 1.083 221 S CB 0.603 63.721 63.200 -0.136 0.000 0.971 221 S HN -0.211 7.551 8.310 -0.535 0.226 0.478 222 A N 6.776 129.626 122.820 0.051 0.000 2.282 222 A HA 0.427 5.151 4.320 0.374 -0.180 0.319 222 A C -1.587 176.121 177.584 0.207 0.000 1.121 222 A CA -1.324 50.876 52.037 0.271 0.000 0.836 222 A CB 1.698 20.917 19.000 0.365 0.000 1.146 222 A HN 0.251 8.439 8.150 0.063 0.000 0.494 223 S N -1.819 114.052 115.700 0.285 0.000 2.582 223 S HA 0.033 4.613 4.470 0.184 0.000 0.296 223 S C -1.330 173.401 174.600 0.219 0.000 1.118 223 S CA -0.400 57.924 58.200 0.207 0.000 0.947 223 S CB 1.479 64.746 63.200 0.112 0.000 1.131 223 S HN -0.303 8.245 8.310 0.397 0.000 0.453 224 K N 4.325 124.818 120.400 0.154 0.000 2.298 224 K HA 0.150 4.225 4.320 -0.407 0.000 0.280 224 K C -0.013 176.503 176.600 -0.141 0.000 1.032 224 K CA -0.699 55.501 56.287 -0.145 0.000 0.958 224 K CB 0.218 32.613 32.500 -0.174 0.000 0.978 224 K HN 0.198 8.551 8.250 0.173 0.000 0.472 225 G N 1.815 110.491 108.800 -0.207 0.000 2.269 225 G HA2 -0.066 3.822 3.960 -0.120 0.000 0.297 225 G HA3 -0.066 3.850 3.960 -0.073 0.000 0.297 225 G C -2.050 172.780 174.900 -0.117 0.000 1.340 225 G CA 0.472 45.498 45.100 -0.123 0.000 1.240 225 G HN -0.116 7.973 8.290 -0.334 0.000 0.596 226 A N 5.018 127.775 122.820 -0.105 0.000 2.457 226 A HA 0.146 4.426 4.320 -0.066 0.000 0.298 226 A C -0.537 177.027 177.584 -0.033 0.000 1.288 226 A CA 0.099 52.098 52.037 -0.063 0.000 0.956 226 A CB -0.212 18.765 19.000 -0.038 0.000 1.135 226 A HN 0.245 8.326 8.150 -0.115 0.000 0.535 227 T N 1.238 115.780 114.554 -0.021 0.000 2.916 227 T HA 0.140 4.485 4.350 -0.008 0.000 0.292 227 T C -1.744 172.960 174.700 0.006 0.000 1.064 227 T CA -2.248 59.848 62.100 -0.008 0.000 1.011 227 T CB 2.410 71.272 68.868 -0.010 0.000 1.152 227 T HN -0.350 7.877 8.240 -0.023 0.000 0.510 228 D N 2.231 122.636 120.400 0.010 0.000 2.357 228 D HA -0.129 4.530 4.640 0.032 0.000 0.265 228 D C -0.046 176.267 176.300 0.022 0.000 1.334 228 D CA 0.943 54.956 54.000 0.021 0.000 0.984 228 D CB -0.455 40.354 40.800 0.016 0.000 1.077 228 D HN 0.212 8.584 8.370 0.004 0.000 0.514 229 D N 3.156 123.577 120.400 0.036 0.000 2.413 229 D HA 0.066 4.696 4.640 -0.016 0.000 0.237 229 D C 0.173 176.480 176.300 0.012 0.000 1.171 229 D CA 0.155 54.158 54.000 0.005 0.000 0.839 229 D CB -0.136 40.656 40.800 -0.013 0.000 0.950 229 D HN -0.224 8.180 8.370 0.057 0.000 0.499 230 T N -0.986 113.604 114.554 0.060 0.000 2.857 230 T HA -0.131 4.342 4.350 0.205 0.000 0.266 230 T C 1.172 175.896 174.700 0.040 0.000 1.048 230 T CA 2.622 64.780 62.100 0.097 0.000 1.139 230 T CB 0.183 69.096 68.868 0.075 0.000 0.874 230 T HN -0.133 8.014 8.240 0.050 0.123 0.455 231 S N -1.410 114.295 115.700 0.008 0.000 2.556 231 S HA 0.036 4.505 4.470 -0.001 0.000 0.216 231 S C 0.705 175.286 174.600 -0.031 0.000 0.970 231 S CA -0.912 57.283 58.200 -0.007 0.000 0.912 231 S CB 0.260 63.458 63.200 -0.003 0.000 0.790 231 S HN -0.148 8.167 8.310 0.009 0.000 0.504 232 L N -0.336 120.856 121.223 -0.052 0.000 2.171 232 L HA -0.296 4.011 4.340 -0.054 0.000 0.216 232 L C -1.567 175.259 176.870 -0.073 0.000 1.084 232 L CA 2.230 57.027 54.840 -0.072 0.000 0.771 232 L CB 0.265 42.255 42.059 -0.115 0.000 0.890 232 L HN 0.081 8.094 8.230 -0.048 0.188 0.437 233 I N -12.698 107.828 120.570 -0.073 0.000 2.984 233 I HA 0.096 4.238 4.170 -0.048 0.000 0.303 233 I C -1.971 174.123 176.117 -0.039 0.000 1.381 233 I CA -1.670 59.595 61.300 -0.059 0.000 0.988 233 I CB 3.192 41.147 38.000 -0.075 0.000 1.307 233 I HN -1.034 7.097 8.210 -0.076 0.034 0.460 234 D N 3.299 123.683 120.400 -0.026 0.000 2.359 234 D HA 0.166 4.801 4.640 -0.009 0.000 0.250 234 D C 0.138 176.433 176.300 -0.009 0.000 1.264 234 D CA 0.882 54.874 54.000 -0.013 0.000 0.911 234 D CB -0.677 40.117 40.800 -0.011 0.000 1.056 234 D HN 0.220 8.573 8.370 -0.028 0.000 0.499 235 S N 4.214 119.915 115.700 0.001 0.000 2.500 235 S HA -0.248 4.226 4.470 0.007 0.000 0.239 235 S C 1.329 175.935 174.600 0.011 0.000 0.989 235 S CA 1.819 60.027 58.200 0.012 0.000 0.951 235 S CB 0.047 63.268 63.200 0.034 0.000 0.759 235 S HN 0.294 8.607 8.310 0.005 0.000 0.523 236 T N 3.402 117.960 114.554 0.007 0.000 2.770 236 T HA -0.135 4.220 4.350 0.009 0.000 0.258 236 T C 1.069 175.771 174.700 0.004 0.000 1.039 236 T CA 2.482 64.586 62.100 0.006 0.000 1.143 236 T CB -0.219 68.651 68.868 0.003 0.000 0.866 236 T HN -0.313 7.861 8.240 0.004 0.068 0.428 237 K N -1.286 119.114 120.400 0.000 0.000 2.633 237 K HA -0.147 4.173 4.320 0.000 0.000 0.193 237 K C -0.378 176.222 176.600 0.000 0.000 1.033 237 K CA 0.246 56.533 56.287 -0.001 0.000 0.980 237 K CB -0.691 31.806 32.500 -0.005 0.000 0.800 237 K HN -0.201 8.048 8.250 -0.002 0.000 0.493 238 L N -2.074 119.151 121.223 0.003 0.000 2.439 238 L HA -0.191 4.149 4.340 -0.000 0.000 0.269 238 L C 0.132 177.008 176.870 0.011 0.000 1.179 238 L CA 0.392 55.234 54.840 0.005 0.000 0.828 238 L CB 0.299 42.363 42.059 0.008 0.000 1.106 238 L HN -0.856 7.243 8.230 0.004 0.134 0.467 239 K N -0.384 120.023 120.400 0.011 0.000 2.535 239 K HA 0.220 4.554 4.320 0.024 0.000 0.250 239 K C -1.432 175.180 176.600 0.019 0.000 0.948 239 K CA -1.462 54.836 56.287 0.018 0.000 0.796 239 K CB 3.829 36.338 32.500 0.014 0.000 1.216 239 K HN -0.081 8.247 8.250 0.007 -0.074 0.432 240 A N 4.410 127.247 122.820 0.029 0.000 2.524 240 A HA 0.073 4.595 4.320 0.015 -0.193 0.250 240 A C 0.190 177.785 177.584 0.019 0.000 1.078 240 A CA 0.448 52.499 52.037 0.023 0.000 0.761 240 A CB 0.411 19.431 19.000 0.033 0.000 1.012 240 A HN 0.685 8.858 8.150 0.039 0.000 0.500 241 c N 4.329 122.936 118.600 0.013 0.000 2.697 241 c HA 0.244 4.922 4.570 0.015 -0.099 0.267 241 c C -0.579 173.519 174.090 0.013 0.000 1.278 241 c CA -0.770 55.568 56.329 0.014 0.000 1.708 241 c CB -1.762 40.757 42.510 0.016 0.000 1.860 241 c HN -0.224 8.011 8.230 0.009 0.000 0.589 242 V N 0.000 119.919 119.914 0.009 0.000 2.409 242 V HA 0.000 4.118 4.120 -0.003 0.000 0.244 242 V CA 0.000 62.303 62.300 0.006 0.000 1.235 242 V CB 0.000 31.827 31.823 0.007 0.000 1.184 242 V HN 0.000 8.132 8.190 0.007 0.062 0.556