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 1tte_1_A DATA FIRST_RESID 1 DATA SEQUENCE SSRAKRIMKE IQAVKDDPAA HITLEFVSES DIHHLKGTFL GPPGTPYEGG DATA SEQUENCE KFVVDIEVPM EYPFKPPKMQ FDTKVYHPNI SSVTGAICLD ILRNAWSPVI DATA SEQUENCE TLKSALISLQ ALLQSPEPND PQDAEVAQHY LRDRESFNKT AALWTRLYAS DATA SEQUENCE ETSNGQKGNV EESDLYGIDH DLIDEFESQG FEKDKIVEVL RRLGVKSLDP DATA SEQUENCE NDNNTANRII EELLK 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 S HA 0.000 4.451 4.470 -0.032 0.000 0.327 1 S C 0.000 174.578 174.600 -0.037 0.000 1.055 1 S CA 0.000 58.173 58.200 -0.044 0.000 1.107 1 S CB 0.000 63.172 63.200 -0.046 0.000 0.593 2 S N 1.701 117.386 115.700 -0.026 0.000 2.335 2 S HA -0.206 4.252 4.470 -0.019 0.000 0.216 2 S C 2.112 176.705 174.600 -0.012 0.000 1.032 2 S CA 2.732 60.920 58.200 -0.020 0.000 1.000 2 S CB -0.080 63.107 63.200 -0.022 0.000 0.928 2 S HN 0.472 8.768 8.310 -0.023 0.000 0.434 3 R N 2.566 123.060 120.500 -0.009 0.000 2.120 3 R HA -0.165 4.205 4.340 0.050 0.000 0.234 3 R C 2.055 178.350 176.300 -0.009 0.000 1.123 3 R CA 2.432 58.540 56.100 0.013 0.000 0.975 3 R CB -0.993 29.312 30.300 0.009 0.000 0.866 3 R HN 0.372 8.633 8.270 -0.015 0.000 0.446 4 A N -1.172 121.620 122.820 -0.048 0.000 2.019 4 A HA -0.219 4.042 4.320 -0.097 0.000 0.219 4 A C 1.235 178.778 177.584 -0.067 0.000 1.164 4 A CA 2.716 54.702 52.037 -0.085 0.000 0.644 4 A CB -0.985 17.939 19.000 -0.126 0.000 0.805 4 A HN 0.423 8.525 8.150 -0.048 0.020 0.449 5 K N -1.883 118.495 120.400 -0.037 0.000 2.211 5 K HA -0.332 3.968 4.320 -0.032 0.000 0.204 5 K C 2.217 178.818 176.600 0.003 0.000 1.047 5 K CA 3.170 59.446 56.287 -0.018 0.000 0.935 5 K CB -0.236 32.261 32.500 -0.005 0.000 0.728 5 K HN -0.574 7.516 8.250 -0.031 0.142 0.452 6 R N -2.070 118.443 120.500 0.021 0.000 2.083 6 R HA -0.255 4.115 4.340 0.051 0.000 0.237 6 R C 2.261 178.558 176.300 -0.005 0.000 1.137 6 R CA 2.738 58.858 56.100 0.032 0.000 0.951 6 R CB -0.470 29.866 30.300 0.060 0.000 0.851 6 R HN -0.535 7.608 8.270 0.024 0.141 0.434 7 I N -0.457 120.100 120.570 -0.022 0.000 2.500 7 I HA -0.243 3.917 4.170 -0.016 0.000 0.252 7 I C 2.089 178.208 176.117 0.002 0.000 1.142 7 I CA 1.257 62.546 61.300 -0.019 0.000 1.451 7 I CB -0.761 37.220 38.000 -0.032 0.000 1.093 7 I HN -0.657 7.535 8.210 -0.031 0.000 0.430 8 M N 0.184 119.775 119.600 -0.015 0.000 2.149 8 M HA -0.491 4.011 4.480 0.036 0.000 0.261 8 M C 2.098 178.417 176.300 0.032 0.000 1.064 8 M CA 4.436 59.740 55.300 0.006 0.000 1.102 8 M CB -0.721 31.862 32.600 -0.030 0.000 1.369 8 M HN 0.155 8.352 8.290 -0.037 0.071 0.408 9 K N -0.864 119.548 120.400 0.020 0.000 2.097 9 K HA -0.253 4.274 4.320 0.026 -0.192 0.206 9 K C 2.575 179.191 176.600 0.027 0.000 1.049 9 K CA 3.178 59.479 56.287 0.023 0.000 0.933 9 K CB -0.449 32.062 32.500 0.019 0.000 0.717 9 K HN -0.342 7.904 8.250 0.010 0.010 0.442 10 E N -1.675 118.540 120.200 0.025 0.000 2.107 10 E HA -0.238 4.126 4.350 0.023 0.000 0.191 10 E C 2.522 179.148 176.600 0.045 0.000 0.982 10 E CA 2.875 59.292 56.400 0.028 0.000 0.809 10 E CB -0.027 29.685 29.700 0.019 0.000 0.756 10 E HN -0.737 7.518 8.360 0.020 0.118 0.459 11 I N -0.679 119.929 120.570 0.063 0.000 2.546 11 I HA -0.389 3.825 4.170 0.074 0.000 0.255 11 I C 1.809 177.967 176.117 0.069 0.000 1.163 11 I CA 2.974 64.324 61.300 0.083 0.000 1.457 11 I CB -0.285 37.803 38.000 0.146 0.000 1.092 11 I HN -0.480 7.675 8.210 0.063 0.093 0.434 12 Q N -0.299 119.537 119.800 0.060 0.000 2.135 12 Q HA -0.493 3.879 4.340 0.053 0.000 0.204 12 Q C 2.028 178.050 176.000 0.036 0.000 0.981 12 Q CA 3.600 59.431 55.803 0.048 0.000 0.856 12 Q CB -0.236 28.526 28.738 0.040 0.000 0.902 12 Q HN -0.092 8.089 8.270 0.058 0.125 0.425 13 A N -1.814 121.027 122.820 0.035 0.000 1.883 13 A HA -0.203 4.133 4.320 0.026 0.000 0.217 13 A C 2.001 179.603 177.584 0.030 0.000 1.186 13 A CA 2.789 54.844 52.037 0.030 0.000 0.624 13 A CB -1.021 17.998 19.000 0.031 0.000 0.822 13 A HN -0.515 7.642 8.150 0.037 0.015 0.444 14 V N -2.523 117.411 119.914 0.034 0.000 2.548 14 V HA -0.339 3.798 4.120 0.028 0.000 0.249 14 V C 1.437 177.538 176.094 0.011 0.000 1.055 14 V CA 3.480 65.796 62.300 0.027 0.000 1.065 14 V CB -0.117 31.726 31.823 0.033 0.000 0.681 14 V HN -0.468 7.746 8.190 0.040 0.000 0.462 15 K N -1.933 118.478 120.400 0.017 0.000 2.365 15 K HA -0.240 4.077 4.320 -0.005 0.000 0.199 15 K C 0.404 177.007 176.600 0.006 0.000 1.045 15 K CA 2.104 58.396 56.287 0.009 0.000 0.962 15 K CB 0.031 32.545 32.500 0.024 0.000 0.759 15 K HN -0.409 7.758 8.250 0.029 0.101 0.469 16 D N 0.334 120.741 120.400 0.011 0.000 2.540 16 D HA -0.129 4.516 4.640 0.010 0.000 0.237 16 D C -0.796 175.505 176.300 0.003 0.000 1.181 16 D CA 1.315 55.321 54.000 0.010 0.000 1.119 16 D CB -1.234 39.575 40.800 0.014 0.000 1.119 16 D HN -0.564 7.655 8.370 0.017 0.161 0.498 17 D N 0.943 121.340 120.400 -0.004 0.000 10.877 17 D HA -0.247 4.384 4.640 -0.015 0.000 0.348 17 D C -2.214 174.074 176.300 -0.021 0.000 3.124 17 D CA 0.928 54.922 54.000 -0.011 0.000 2.670 17 D CB -0.933 39.864 40.800 -0.005 0.000 1.183 17 D HN 0.018 8.357 8.370 -0.003 0.028 0.937 18 P HA -0.152 4.220 4.420 -0.079 0.000 0.248 18 P C -1.545 175.725 177.300 -0.051 0.000 1.254 18 P CA 0.845 63.907 63.100 -0.064 0.000 1.252 18 P CB -0.795 30.859 31.700 -0.076 0.000 1.465 19 A N 4.261 127.062 122.820 -0.032 0.000 2.587 19 A HA 0.163 4.499 4.320 0.027 0.000 0.293 19 A C -0.975 176.631 177.584 0.037 0.000 1.087 19 A CA -0.501 51.544 52.037 0.013 0.000 0.692 19 A CB 1.640 20.654 19.000 0.023 0.000 1.291 19 A HN -0.252 7.876 8.150 -0.035 0.000 0.407 20 A N -1.083 121.798 122.820 0.100 0.000 3.383 20 A HA -0.256 4.147 4.320 0.138 0.000 0.264 20 A C -1.070 176.628 177.584 0.190 0.000 1.154 20 A CA 1.103 53.219 52.037 0.132 0.000 1.179 20 A CB -1.620 17.437 19.000 0.095 0.000 1.133 20 A HN 0.598 8.821 8.150 0.121 0.000 0.933 21 H N -5.997 113.013 119.070 -0.099 0.000 2.861 21 H HA -0.375 3.989 4.556 -0.320 0.000 0.289 21 H C -1.642 173.381 175.328 -0.509 0.000 1.176 21 H CA 0.851 56.692 56.048 -0.344 0.000 1.146 21 H CB -1.775 27.745 29.762 -0.404 0.000 1.330 21 H HN 0.117 8.338 8.280 0.062 0.096 0.379 22 I N -3.289 117.227 120.570 -0.090 0.000 2.793 22 I HA 0.098 4.346 4.170 0.130 0.000 0.313 22 I C 0.151 176.248 176.117 -0.033 0.000 0.998 22 I CA -1.847 59.470 61.300 0.028 0.000 1.140 22 I CB 1.002 39.073 38.000 0.119 0.000 1.327 22 I HN -0.906 7.249 8.210 -0.039 0.031 0.491 23 T N 3.338 117.910 114.554 0.031 0.000 3.032 23 T HA 0.268 4.605 4.350 -0.022 0.000 0.312 23 T C -1.643 173.079 174.700 0.038 0.000 1.078 23 T CA -0.556 61.548 62.100 0.007 0.000 1.028 23 T CB 2.730 71.594 68.868 -0.008 0.000 1.091 23 T HN -0.064 8.240 8.240 0.107 0.000 0.457 24 L N 4.228 125.458 121.223 0.012 0.000 2.518 24 L HA 0.266 4.753 4.340 0.044 -0.121 0.262 24 L C -1.684 175.162 176.870 -0.040 0.000 0.982 24 L CA -0.270 54.586 54.840 0.026 0.000 0.873 24 L CB 1.885 43.982 42.059 0.064 0.000 1.198 24 L HN 0.393 8.616 8.230 -0.013 0.000 0.427 25 E N 4.723 124.881 120.200 -0.069 0.000 2.182 25 E HA 0.283 4.375 4.350 -0.429 0.000 0.258 25 E C -1.455 175.053 176.600 -0.153 0.000 0.879 25 E CA -1.643 54.619 56.400 -0.229 0.000 0.754 25 E CB 2.650 32.241 29.700 -0.181 0.000 1.162 25 E HN 0.376 8.727 8.360 -0.015 0.000 0.419 26 F N 2.926 122.894 119.950 0.030 0.000 2.438 26 F HA 0.182 4.737 4.527 0.047 0.000 0.356 26 F C -0.466 175.358 175.800 0.040 0.000 1.099 26 F CA -1.906 56.118 58.000 0.039 0.000 1.185 26 F CB 0.521 39.543 39.000 0.036 0.000 1.115 26 F HN 0.288 7.923 8.300 -1.108 0.000 0.526 27 V N 6.778 126.826 119.914 0.224 0.000 2.217 27 V HA 0.173 4.365 4.120 0.120 0.000 0.264 27 V C -1.490 174.702 176.094 0.164 0.000 1.107 27 V CA -0.735 61.654 62.300 0.148 0.000 0.913 27 V CB -1.119 30.749 31.823 0.076 0.000 1.153 27 V HN -0.103 8.223 8.190 0.227 0.000 0.469 28 S N 4.896 120.719 115.700 0.206 0.000 2.567 28 S HA 0.215 4.733 4.470 0.080 0.000 0.270 28 S C -0.699 173.974 174.600 0.122 0.000 1.152 28 S CA -0.582 57.699 58.200 0.136 0.000 0.835 28 S CB 2.086 65.375 63.200 0.149 0.000 1.115 28 S HN -0.277 8.209 8.310 0.294 0.000 0.459 29 E N 1.814 122.055 120.200 0.069 0.000 3.271 29 E HA -0.048 4.339 4.350 0.061 0.000 0.332 29 E C 0.173 176.797 176.600 0.039 0.000 1.505 29 E CA 0.376 56.807 56.400 0.052 0.000 1.676 29 E CB 0.712 30.429 29.700 0.029 0.000 1.053 29 E HN 0.230 8.620 8.360 0.050 0.000 0.687 30 S N -2.161 113.552 115.700 0.022 0.000 2.423 30 S HA -0.280 4.185 4.470 -0.008 0.000 0.238 30 S C -0.360 174.226 174.600 -0.023 0.000 1.028 30 S CA 2.132 60.331 58.200 -0.002 0.000 1.000 30 S CB 0.065 63.266 63.200 0.001 0.000 0.797 30 S HN 0.172 8.496 8.310 0.024 0.000 0.487 31 D N -1.198 119.205 120.400 0.005 0.000 2.563 31 D HA 0.044 4.679 4.640 -0.008 0.000 0.222 31 D C -0.553 175.769 176.300 0.037 0.000 1.145 31 D CA -1.712 52.300 54.000 0.021 0.000 1.001 31 D CB -1.562 39.276 40.800 0.065 0.000 1.049 31 D HN -0.198 8.148 8.370 0.020 0.036 0.515 32 I N -1.650 118.889 120.570 -0.052 0.000 2.792 32 I HA -0.338 3.846 4.170 0.022 0.000 0.284 32 I C -1.817 174.306 176.117 0.010 0.000 1.166 32 I CA 0.915 62.180 61.300 -0.058 0.000 1.375 32 I CB -1.053 36.772 38.000 -0.293 0.000 1.421 32 I HN -0.683 7.424 8.210 -0.113 0.035 0.544 33 H N 6.679 125.787 119.070 0.063 0.000 2.657 33 H HA 0.259 4.962 4.556 0.058 -0.112 0.262 33 H C -0.913 174.519 175.328 0.172 0.000 0.965 33 H CA 0.452 56.565 56.048 0.108 0.000 1.184 33 H CB 2.736 32.580 29.762 0.136 0.000 1.443 33 H HN -0.078 8.342 8.280 0.235 0.000 0.462 34 H N 0.539 119.708 119.070 0.165 0.000 2.541 34 H HA 0.203 4.909 4.556 0.107 -0.085 0.316 34 H C -1.868 173.527 175.328 0.113 0.000 1.043 34 H CA -0.643 55.473 56.048 0.113 0.000 1.232 34 H CB 1.022 30.831 29.762 0.078 0.000 1.406 34 H HN -0.795 7.723 8.280 0.396 0.000 0.469 35 L N 3.598 124.890 121.223 0.117 0.000 2.334 35 L HA 0.264 4.730 4.340 0.212 0.000 0.272 35 L C -1.857 175.070 176.870 0.094 0.000 1.020 35 L CA -1.122 53.797 54.840 0.133 0.000 0.812 35 L CB 3.442 45.559 42.059 0.095 0.000 1.264 35 L HN 0.554 8.697 8.230 0.012 0.095 0.439 36 K N 1.792 122.252 120.400 0.099 0.000 2.690 36 K HA 0.435 4.974 4.320 0.067 -0.178 0.243 36 K C -1.443 175.198 176.600 0.068 0.000 0.982 36 K CA -0.954 55.377 56.287 0.073 0.000 0.955 36 K CB 2.331 34.869 32.500 0.063 0.000 1.185 36 K HN 0.216 8.539 8.250 0.121 0.000 0.467 37 G N 5.766 114.612 108.800 0.077 0.000 2.335 37 G HA2 0.496 4.630 3.960 0.075 0.000 0.314 37 G HA3 0.496 4.508 3.960 0.087 0.000 0.314 37 G C -1.685 173.286 174.900 0.119 0.000 1.129 37 G CA -0.964 44.188 45.100 0.087 0.000 0.912 37 G HN -0.034 8.300 8.290 0.074 0.000 0.443 38 T N 2.018 116.647 114.554 0.126 0.000 2.940 38 T HA 0.845 5.476 4.350 0.223 -0.147 0.288 38 T C -2.371 172.476 174.700 0.244 0.000 1.045 38 T CA -2.953 59.258 62.100 0.184 0.000 1.018 38 T CB 3.301 72.252 68.868 0.138 0.000 1.151 38 T HN -0.230 7.970 8.240 0.093 0.096 0.529 39 F N 0.998 121.028 119.950 0.133 0.000 2.607 39 F HA 0.316 4.895 4.527 0.087 0.000 0.322 39 F C -2.096 173.815 175.800 0.184 0.000 1.176 39 F CA -0.725 57.343 58.000 0.112 0.000 0.977 39 F CB 3.279 42.304 39.000 0.043 0.000 1.242 39 F HN -0.583 7.967 8.300 0.416 0.000 0.465 40 L N 5.972 127.064 121.223 -0.218 0.000 2.292 40 L HA 0.593 5.208 4.340 0.210 -0.149 0.284 40 L C 0.184 177.106 176.870 0.086 0.000 1.065 40 L CA -0.856 53.981 54.840 -0.006 0.000 0.806 40 L CB 0.658 42.649 42.059 -0.114 0.000 1.175 40 L HN 0.427 8.308 8.230 -0.582 0.000 0.431 41 G N 1.819 110.820 108.800 0.334 0.000 2.706 41 G HA2 0.454 4.624 3.960 0.349 0.000 0.297 41 G HA3 0.454 4.706 3.960 0.487 0.000 0.297 41 G C -3.236 171.823 174.900 0.265 0.000 1.403 41 G CA -1.579 43.746 45.100 0.374 0.000 0.954 41 G HN 0.010 8.511 8.290 0.351 0.000 0.500 42 P HA 0.420 4.918 4.420 0.130 0.000 0.275 42 P C -1.538 175.847 177.300 0.141 0.000 1.266 42 P CA -1.788 61.397 63.100 0.143 0.000 0.793 42 P CB -0.790 30.974 31.700 0.108 0.000 1.074 43 P HA -0.053 4.616 4.420 0.124 -0.176 0.323 43 P C 0.412 177.766 177.300 0.090 0.000 1.319 43 P CA -0.301 62.860 63.100 0.102 0.000 0.741 43 P CB 0.702 32.447 31.700 0.074 0.000 1.545 44 G N -3.464 105.383 108.800 0.078 0.000 2.159 44 G HA2 -0.221 3.774 3.960 0.059 0.000 0.170 44 G HA3 -0.221 3.780 3.960 0.069 0.000 0.170 44 G C -0.991 173.958 174.900 0.083 0.000 1.007 44 G CA -0.269 44.873 45.100 0.070 0.000 0.672 44 G HN 0.181 8.515 8.290 0.073 0.000 0.507 45 T N -0.092 114.518 114.554 0.093 0.000 3.168 45 T HA 0.221 4.632 4.350 0.102 0.000 0.373 45 T C -2.208 172.542 174.700 0.084 0.000 1.681 45 T CA -1.769 60.399 62.100 0.114 0.000 1.135 45 T CB 0.747 69.715 68.868 0.167 0.000 1.477 45 T HN -0.703 7.591 8.240 0.089 0.000 0.480 46 P HA 0.067 4.449 4.420 -0.063 0.000 0.234 46 P C -0.788 176.382 177.300 -0.216 0.000 1.167 46 P CA 1.309 64.324 63.100 -0.142 0.000 0.763 46 P CB -0.090 31.450 31.700 -0.267 0.000 0.835 47 Y N -4.421 115.935 120.300 0.093 0.000 2.481 47 Y HA 0.029 4.619 4.550 0.067 0.000 0.258 47 Y C -0.495 175.491 175.900 0.143 0.000 1.103 47 Y CA 0.790 58.927 58.100 0.062 0.000 1.287 47 Y CB 1.262 39.696 38.460 -0.044 0.000 1.108 47 Y HN -0.881 7.423 8.280 0.163 0.074 0.529 48 E N -1.424 118.947 120.200 0.285 0.000 2.308 48 E HA 0.178 4.862 4.350 0.556 0.000 0.275 48 E C -1.361 175.411 176.600 0.285 0.000 0.890 48 E CA -0.674 55.919 56.400 0.320 0.000 0.754 48 E CB 3.207 32.996 29.700 0.149 0.000 1.207 48 E HN -0.751 7.629 8.360 0.228 0.116 0.426 49 G N 3.634 112.653 108.800 0.366 0.000 3.175 49 G HA2 -0.044 4.260 3.960 0.210 0.000 0.235 49 G HA3 -0.044 4.012 3.960 0.160 0.000 0.235 49 G C -1.791 173.213 174.900 0.174 0.000 3.842 49 G CA -0.197 45.038 45.100 0.224 0.000 0.513 49 G HN 0.385 9.033 8.290 0.597 0.000 0.341 50 G N -0.302 108.639 108.800 0.234 0.000 2.553 50 G HA2 -0.048 3.962 3.960 0.083 0.000 0.106 50 G HA3 -0.048 3.897 3.960 -0.024 0.000 0.106 50 G C -3.083 171.907 174.900 0.150 0.000 1.126 50 G CA 0.700 45.858 45.100 0.096 0.000 1.075 50 G HN -0.329 8.183 8.290 0.369 0.000 0.472 51 K N 1.325 121.686 120.400 -0.065 0.000 2.328 51 K HA 0.608 5.120 4.320 0.319 0.000 0.246 51 K C -1.804 174.671 176.600 -0.209 0.000 0.955 51 K CA -1.414 54.907 56.287 0.056 0.000 0.817 51 K CB 3.679 36.196 32.500 0.028 0.000 1.208 51 K HN -0.025 8.103 8.250 -0.203 0.000 0.432 52 F N -0.550 119.478 119.950 0.128 0.000 2.557 52 F HA 0.246 4.845 4.527 0.119 0.000 0.316 52 F C -1.704 174.163 175.800 0.112 0.000 1.141 52 F CA -1.139 56.935 58.000 0.124 0.000 0.922 52 F CB 3.151 42.227 39.000 0.127 0.000 1.194 52 F HN -0.113 8.492 8.300 0.508 0.000 0.443 53 V N 3.205 123.257 119.914 0.230 0.000 2.313 53 V HA 0.248 4.467 4.120 0.164 0.000 0.278 53 V C -1.041 175.162 176.094 0.181 0.000 1.017 53 V CA -0.579 61.825 62.300 0.172 0.000 0.823 53 V CB 0.835 32.728 31.823 0.117 0.000 1.010 53 V HN 0.492 8.796 8.190 0.191 0.000 0.443 54 V N 9.344 129.354 119.914 0.161 0.000 2.348 54 V HA 0.126 4.344 4.120 0.164 0.000 0.270 54 V C -1.097 175.054 176.094 0.094 0.000 1.037 54 V CA -0.998 61.384 62.300 0.136 0.000 0.872 54 V CB 0.292 32.181 31.823 0.111 0.000 1.002 54 V HN -0.300 7.984 8.190 0.156 0.000 0.464 55 D N 8.404 128.854 120.400 0.085 0.000 2.349 55 D HA -0.029 4.629 4.640 0.030 0.000 0.266 55 D C -0.981 175.314 176.300 -0.009 0.000 1.293 55 D CA 1.211 55.224 54.000 0.021 0.000 0.926 55 D CB 0.161 40.928 40.800 -0.055 0.000 1.090 55 D HN -0.325 8.123 8.370 0.131 0.000 0.502 56 I N 4.548 125.106 120.570 -0.020 0.000 2.460 56 I HA 0.635 5.025 4.170 -0.053 -0.252 0.298 56 I C -0.800 175.221 176.117 -0.160 0.000 0.989 56 I CA -1.653 59.615 61.300 -0.054 0.000 1.173 56 I CB 3.032 41.028 38.000 -0.007 0.000 1.338 56 I HN 0.719 8.854 8.210 0.009 0.080 0.456 57 E N 6.435 126.519 120.200 -0.194 0.000 2.207 57 E HA 0.353 4.450 4.350 -0.421 0.000 0.250 57 E C -1.280 175.254 176.600 -0.111 0.000 0.890 57 E CA -1.330 54.896 56.400 -0.290 0.000 0.749 57 E CB 2.354 31.836 29.700 -0.362 0.000 1.193 57 E HN -0.036 8.249 8.360 -0.127 0.000 0.423 58 V N 3.115 122.984 119.914 -0.075 0.000 2.333 58 V HA 0.563 4.644 4.120 -0.065 0.000 0.274 58 V C -2.627 173.370 176.094 -0.163 0.000 1.028 58 V CA -3.722 58.529 62.300 -0.081 0.000 0.851 58 V CB 0.046 31.824 31.823 -0.076 0.000 1.000 58 V HN -0.004 8.147 8.190 -0.066 0.000 0.456 59 P HA 0.098 4.336 4.420 -0.304 0.000 0.307 59 P C -0.512 176.657 177.300 -0.219 0.000 1.306 59 P CA -0.810 62.194 63.100 -0.159 0.000 0.742 59 P CB 1.240 32.965 31.700 0.041 0.000 1.349 60 M N -2.119 117.412 119.600 -0.114 0.000 3.170 60 M HA 0.261 4.695 4.480 -0.076 0.000 0.263 60 M C -1.042 175.277 176.300 0.033 0.000 1.153 60 M CA -0.648 54.621 55.300 -0.053 0.000 0.949 60 M CB -0.417 32.164 32.600 -0.031 0.000 1.291 60 M HN 0.077 8.355 8.290 -0.020 0.000 0.550 61 E N -0.579 119.648 120.200 0.045 0.000 2.222 61 E HA 0.258 4.674 4.350 0.111 0.000 0.267 61 E C -1.590 175.083 176.600 0.121 0.000 0.884 61 E CA -0.716 55.740 56.400 0.093 0.000 0.764 61 E CB 1.613 31.362 29.700 0.081 0.000 1.169 61 E HN -0.335 7.968 8.360 0.010 0.063 0.413 62 Y N 3.579 123.890 120.300 0.018 0.000 2.266 62 Y HA 0.130 4.676 4.550 -0.007 0.000 0.294 62 Y C -1.805 174.109 175.900 0.024 0.000 1.127 62 Y CA 2.380 60.485 58.100 0.008 0.000 1.140 62 Y CB 0.037 38.499 38.460 0.003 0.000 1.071 62 Y HN 0.220 8.656 8.280 0.259 0.000 0.525 63 P HA -0.071 4.435 4.420 0.144 0.000 0.275 63 P C -1.335 176.166 177.300 0.335 0.000 1.276 63 P CA 0.288 63.532 63.100 0.240 0.000 0.782 63 P CB -0.620 31.257 31.700 0.296 0.000 0.851 64 F N 1.731 121.675 119.950 -0.011 0.000 2.460 64 F HA -0.313 4.198 4.527 -0.027 0.000 0.328 64 F C -0.716 175.066 175.800 -0.029 0.000 1.081 64 F CA 0.775 58.764 58.000 -0.018 0.000 1.136 64 F CB -1.430 37.569 39.000 -0.002 0.000 1.527 64 F HN 0.010 8.167 8.300 -0.237 0.000 0.806 65 K N 2.206 122.623 120.400 0.028 0.000 2.360 65 K HA 0.349 4.693 4.320 0.040 0.000 0.235 65 K C -1.891 174.703 176.600 -0.009 0.000 1.077 65 K CA -3.417 52.872 56.287 0.002 0.000 1.035 65 K CB -0.735 31.725 32.500 -0.066 0.000 1.623 65 K HN 0.059 8.269 8.250 -0.067 0.000 0.462 66 P HA 0.198 4.616 4.420 -0.004 0.000 0.274 66 P C -1.994 175.300 177.300 -0.011 0.000 1.291 66 P CA -1.870 61.234 63.100 0.007 0.000 0.815 66 P CB -0.035 31.680 31.700 0.024 0.000 0.897 67 P HA -0.055 4.345 4.420 -0.034 0.000 0.270 67 P C -0.936 176.347 177.300 -0.028 0.000 1.242 67 P CA -0.653 62.429 63.100 -0.029 0.000 0.768 67 P CB 0.766 32.449 31.700 -0.029 0.000 0.820 68 K N 5.227 125.607 120.400 -0.034 0.000 2.270 68 K HA 0.092 4.397 4.320 -0.024 0.000 0.276 68 K C -0.960 175.622 176.600 -0.030 0.000 1.023 68 K CA 0.179 56.447 56.287 -0.033 0.000 0.955 68 K CB 1.358 33.834 32.500 -0.041 0.000 0.975 68 K HN -0.264 7.962 8.250 -0.041 0.000 0.471 69 M N 2.423 122.017 119.600 -0.011 0.000 2.324 69 M HA 0.588 5.296 4.480 0.007 -0.224 0.288 69 M C -1.681 174.644 176.300 0.040 0.000 1.097 69 M CA -0.433 54.874 55.300 0.011 0.000 0.928 69 M CB 4.371 36.979 32.600 0.012 0.000 1.648 69 M HN 0.169 8.454 8.290 -0.009 0.000 0.460 70 Q N -0.344 119.506 119.800 0.082 0.000 2.707 70 Q HA 0.249 4.660 4.340 0.119 0.000 0.307 70 Q C -0.613 175.566 176.000 0.298 0.000 0.934 70 Q CA -0.938 54.962 55.803 0.161 0.000 0.753 70 Q CB 4.085 32.934 28.738 0.185 0.000 1.478 70 Q HN -0.109 8.205 8.270 0.073 0.000 0.458 71 F N -3.024 116.931 119.950 0.009 0.000 2.536 71 F HA -0.479 4.050 4.527 0.004 0.000 0.736 71 F C -1.274 174.551 175.800 0.043 0.000 0.491 71 F CA 3.347 61.360 58.000 0.022 0.000 0.746 71 F CB -0.423 38.600 39.000 0.038 0.000 1.594 71 F HN 0.422 8.802 8.300 0.324 0.114 0.274 72 D N -1.606 118.975 120.400 0.301 0.000 3.666 72 D HA -0.384 4.738 4.640 0.236 -0.341 0.220 72 D C 0.215 176.637 176.300 0.203 0.000 1.105 72 D CA 0.824 54.961 54.000 0.229 0.000 1.111 72 D CB -1.564 39.352 40.800 0.194 0.000 0.790 72 D HN -0.164 8.429 8.370 0.371 0.000 0.389 73 T N -4.882 109.787 114.554 0.191 0.000 4.107 73 T HA -0.599 3.844 4.350 0.154 0.000 0.332 73 T C 0.071 174.834 174.700 0.104 0.000 0.795 73 T CA 1.586 63.769 62.100 0.140 0.000 1.900 73 T CB -1.298 67.590 68.868 0.033 0.000 1.940 73 T HN 0.127 8.489 8.240 0.202 0.000 0.832 74 K N -6.005 114.410 120.400 0.025 0.000 3.010 74 K HA -0.431 3.819 4.320 -0.267 -0.089 0.255 74 K C -0.034 176.407 176.600 -0.266 0.000 0.929 74 K CA 0.994 57.167 56.287 -0.190 0.000 0.687 74 K CB -1.844 30.533 32.500 -0.206 0.000 1.304 74 K HN 0.056 8.204 8.250 0.069 0.143 0.479 75 V N -6.234 113.627 119.914 -0.090 0.000 2.644 75 V HA -0.220 3.870 4.120 -0.051 0.000 0.305 75 V C -0.235 175.824 176.094 -0.059 0.000 1.053 75 V CA 0.322 62.604 62.300 -0.030 0.000 1.186 75 V CB 0.174 32.066 31.823 0.115 0.000 0.895 75 V HN -0.773 7.392 8.190 0.007 0.029 0.490 76 Y N 8.226 128.470 120.300 -0.094 0.000 2.691 76 Y HA 0.031 4.548 4.550 -0.055 0.000 0.338 76 Y C -0.980 175.102 175.900 0.304 0.000 1.148 76 Y CA -0.706 57.410 58.100 0.027 0.000 1.430 76 Y CB -0.607 37.849 38.460 -0.006 0.000 1.303 76 Y HN 0.334 8.654 8.280 0.066 0.000 0.499 77 H N 6.905 126.114 119.070 0.231 0.000 2.768 77 H HA 0.347 4.991 4.556 0.146 0.000 0.371 77 H C -2.066 173.278 175.328 0.026 0.000 1.151 77 H CA -3.480 52.643 56.048 0.125 0.000 1.165 77 H CB 3.253 33.059 29.762 0.073 0.000 1.722 77 H HN 0.010 8.442 8.280 0.253 0.000 0.543 78 P HA -0.222 4.127 4.420 -0.119 0.000 0.218 78 P C -0.313 176.919 177.300 -0.114 0.000 1.146 78 P CA 2.262 65.248 63.100 -0.190 0.000 0.820 78 P CB 0.709 32.221 31.700 -0.314 0.000 0.778 79 N N -3.106 115.542 118.700 -0.086 0.000 2.428 79 N HA 0.014 4.719 4.740 -0.060 0.000 0.181 79 N C -0.094 175.415 175.510 -0.002 0.000 1.028 79 N CA 2.382 55.409 53.050 -0.038 0.000 0.877 79 N CB 1.117 39.592 38.487 -0.019 0.000 1.064 79 N HN -0.243 8.025 8.380 -0.109 0.046 0.434 80 I N -1.791 118.811 120.570 0.053 0.000 2.353 80 I HA 0.192 4.535 4.170 0.004 -0.171 0.293 80 I C -0.334 175.768 176.117 -0.024 0.000 0.992 80 I CA -0.230 61.087 61.300 0.028 0.000 1.268 80 I CB 0.859 38.894 38.000 0.058 0.000 1.387 80 I HN -0.252 8.034 8.210 0.127 0.000 0.478 81 S N 5.908 121.554 115.700 -0.090 0.000 3.772 81 S HA -0.355 3.991 4.470 -0.207 0.000 0.595 81 S C -1.102 173.376 174.600 -0.204 0.000 0.670 81 S CA 1.184 59.257 58.200 -0.212 0.000 1.415 81 S CB -0.553 62.423 63.200 -0.372 0.000 0.866 81 S HN 0.376 8.714 8.310 -0.059 -0.064 0.842 82 S N 2.413 118.033 115.700 -0.133 0.000 2.460 82 S HA 0.048 4.633 4.470 -0.075 -0.160 0.226 82 S C 0.313 174.856 174.600 -0.095 0.000 1.057 82 S CA 1.688 59.833 58.200 -0.090 0.000 0.948 82 S CB 0.541 63.709 63.200 -0.054 0.000 0.822 82 S HN 0.402 8.646 8.310 -0.110 0.000 0.512 83 V N -5.930 113.925 119.914 -0.099 0.000 3.219 83 V HA 0.272 4.343 4.120 -0.083 0.000 0.214 83 V C -0.994 175.046 176.094 -0.090 0.000 1.433 83 V CA 1.134 63.387 62.300 -0.079 0.000 1.301 83 V CB 0.954 32.755 31.823 -0.036 0.000 1.160 83 V HN -0.624 7.508 8.190 -0.097 0.000 0.505 84 T N -2.588 111.925 114.554 -0.069 0.000 3.604 84 T HA 0.137 4.427 4.350 -0.100 0.000 0.305 84 T C -0.620 174.069 174.700 -0.017 0.000 0.978 84 T CA -0.645 61.430 62.100 -0.042 0.000 0.999 84 T CB 0.343 69.238 68.868 0.044 0.000 1.204 84 T HN -0.561 7.647 8.240 -0.053 0.000 0.476 85 G N 0.237 108.978 108.800 -0.099 0.000 3.110 85 G HA2 -0.281 3.606 3.960 -0.123 0.000 0.506 85 G HA3 -0.281 3.758 3.960 0.054 -0.046 0.506 85 G C -2.342 172.585 174.900 0.046 0.000 1.077 85 G CA 0.013 45.091 45.100 -0.037 0.000 0.960 85 G HN -0.128 8.074 8.290 -0.148 0.000 0.434 86 A N 2.023 124.843 122.820 -0.000 0.000 2.532 86 A HA 0.448 4.785 4.320 0.028 0.000 0.296 86 A C -1.956 175.622 177.584 -0.010 0.000 1.058 86 A CA -1.307 50.733 52.037 0.006 0.000 0.729 86 A CB 2.621 21.619 19.000 -0.003 0.000 1.285 86 A HN -0.510 7.707 8.150 -0.038 -0.090 0.396 87 I N -3.597 116.968 120.570 -0.007 0.000 2.982 87 I HA 0.766 5.191 4.170 -0.016 -0.264 0.312 87 I C -0.825 175.269 176.117 -0.039 0.000 1.041 87 I CA -2.172 59.118 61.300 -0.018 0.000 1.053 87 I CB 2.803 40.797 38.000 -0.010 0.000 1.248 87 I HN -0.006 8.203 8.210 -0.000 0.000 0.471 88 C N 3.943 123.212 119.300 -0.051 0.000 2.437 88 C HA 0.299 4.708 4.460 -0.085 0.000 0.307 88 C C -1.873 173.060 174.990 -0.096 0.000 1.093 88 C CA -0.877 58.094 59.018 -0.079 0.000 1.463 88 C CB -0.659 27.032 27.740 -0.082 0.000 1.926 88 C HN 0.147 8.351 8.230 -0.042 0.000 0.420 89 L N 8.507 129.664 121.223 -0.111 0.000 2.617 89 L HA 0.281 4.542 4.340 -0.131 0.000 0.259 89 L C -1.256 175.517 176.870 -0.163 0.000 0.995 89 L CA -0.344 54.424 54.840 -0.120 0.000 0.899 89 L CB 1.554 43.570 42.059 -0.073 0.000 1.181 89 L HN 0.224 8.389 8.230 -0.107 0.000 0.437 90 D N 1.252 121.476 120.400 -0.294 0.000 4.565 90 D HA -0.413 3.755 4.640 -0.788 0.000 0.225 90 D C 0.618 176.748 176.300 -0.283 0.000 0.678 90 D CA 3.753 57.499 54.000 -0.423 0.000 1.701 90 D CB -1.042 39.624 40.800 -0.224 0.000 1.028 90 D HN 0.433 8.598 8.370 -0.342 0.000 0.400 91 I N -1.373 119.106 120.570 -0.152 0.000 2.212 91 I HA 0.083 4.197 4.170 -0.093 0.000 0.285 91 I C -1.141 174.928 176.117 -0.080 0.000 1.116 91 I CA 0.000 61.244 61.300 -0.093 0.000 1.644 91 I CB -2.343 35.627 38.000 -0.049 0.000 1.485 91 I HN -0.087 8.037 8.210 -0.120 0.014 0.728 92 L N 1.607 122.770 121.223 -0.100 0.000 2.463 92 L HA 0.294 4.602 4.340 -0.054 0.000 0.208 92 L C 1.130 177.956 176.870 -0.073 0.000 1.082 92 L CA 1.265 56.059 54.840 -0.076 0.000 0.997 92 L CB 1.424 43.435 42.059 -0.080 0.000 1.953 92 L HN -0.283 7.810 8.230 -0.136 0.056 0.499 93 R N -2.178 118.261 120.500 -0.101 0.000 2.310 93 R HA 0.143 4.445 4.340 -0.063 0.000 0.199 93 R C 0.493 176.737 176.300 -0.094 0.000 0.891 93 R CA 0.287 56.335 56.100 -0.087 0.000 1.060 93 R CB 1.711 31.957 30.300 -0.090 0.000 1.188 93 R HN 0.144 8.332 8.270 -0.136 0.000 0.607 94 N N 0.265 118.880 118.700 -0.141 0.000 3.153 94 N HA -0.012 4.682 4.740 -0.077 0.000 0.208 94 N C -1.882 173.494 175.510 -0.223 0.000 1.462 94 N CA 0.684 53.654 53.050 -0.133 0.000 0.754 94 N CB 2.132 40.552 38.487 -0.112 0.000 1.558 94 N HN -0.393 7.877 8.380 -0.184 0.000 0.605 95 A N 1.755 124.483 122.820 -0.154 0.000 2.425 95 A HA -0.003 4.110 4.320 -0.395 -0.030 0.249 95 A C 0.243 177.820 177.584 -0.011 0.000 1.084 95 A CA 0.143 52.074 52.037 -0.176 0.000 0.781 95 A CB 0.599 19.569 19.000 -0.051 0.000 1.019 95 A HN 0.111 8.210 8.150 -0.084 0.000 0.490 96 W N -0.428 120.882 121.300 0.016 0.000 2.570 96 W HA 0.418 5.097 4.660 0.031 0.000 0.410 96 W C -2.087 174.436 176.519 0.006 0.000 0.889 96 W CA -2.957 54.398 57.345 0.017 0.000 2.386 96 W CB 0.086 29.550 29.460 0.007 0.000 1.228 96 W HN 0.053 8.088 8.180 -0.242 0.000 0.692 97 S N 0.306 116.201 115.700 0.326 0.000 2.581 97 S HA 0.024 4.561 4.470 0.112 0.000 0.306 97 S C -1.320 173.318 174.600 0.063 0.000 1.080 97 S CA -0.673 57.632 58.200 0.174 0.000 0.925 97 S CB 1.277 64.596 63.200 0.197 0.000 1.128 97 S HN -0.570 7.814 8.310 0.240 0.070 0.451 98 P HA 0.164 4.513 4.420 -0.119 0.000 0.245 98 P C -1.194 176.033 177.300 -0.121 0.000 1.212 98 P CA 0.491 63.502 63.100 -0.147 0.000 0.774 98 P CB 0.170 31.652 31.700 -0.364 0.000 0.999 99 V N -2.963 116.913 119.914 -0.062 0.000 3.052 99 V HA -0.045 4.026 4.120 -0.081 0.000 0.254 99 V C -0.056 176.019 176.094 -0.030 0.000 1.100 99 V CA -1.732 60.535 62.300 -0.054 0.000 1.112 99 V CB -0.414 31.387 31.823 -0.035 0.000 0.738 99 V HN -0.381 7.703 8.190 -0.029 0.089 0.469 100 I N 2.333 122.902 120.570 -0.002 0.000 2.886 100 I HA -0.364 3.817 4.170 0.019 0.000 0.293 100 I C -0.158 175.949 176.117 -0.016 0.000 1.157 100 I CA 0.619 61.926 61.300 0.011 0.000 1.472 100 I CB -2.286 35.738 38.000 0.040 0.000 1.492 100 I HN -0.777 7.442 8.210 0.014 0.000 0.652 101 T N 4.435 118.977 114.554 -0.020 0.000 2.640 101 T HA -0.109 4.215 4.350 -0.044 0.000 0.316 101 T C 0.597 175.286 174.700 -0.018 0.000 1.036 101 T CA -0.913 61.171 62.100 -0.027 0.000 1.009 101 T CB 1.011 69.866 68.868 -0.021 0.000 1.017 101 T HN -0.417 7.815 8.240 -0.014 0.000 0.530 102 L N 0.524 121.738 121.223 -0.016 0.000 2.141 102 L HA -0.177 4.156 4.340 -0.012 0.000 0.209 102 L C 1.251 178.123 176.870 0.005 0.000 1.094 102 L CA 3.458 58.294 54.840 -0.007 0.000 0.763 102 L CB -0.100 41.957 42.059 -0.002 0.000 0.908 102 L HN 0.479 8.696 8.230 -0.021 0.000 0.437 103 K N -1.577 118.829 120.400 0.010 0.000 2.152 103 K HA -0.366 3.973 4.320 0.033 0.000 0.206 103 K C 2.280 178.885 176.600 0.008 0.000 1.048 103 K CA 3.121 59.420 56.287 0.021 0.000 0.933 103 K CB -1.107 31.409 32.500 0.026 0.000 0.721 103 K HN -0.498 7.873 8.250 0.007 -0.116 0.447 104 S N 0.212 115.913 115.700 0.002 0.000 2.383 104 S HA -0.234 4.233 4.470 -0.004 0.000 0.227 104 S C 1.811 176.403 174.600 -0.013 0.000 1.026 104 S CA 3.391 61.590 58.200 -0.003 0.000 0.981 104 S CB -0.392 62.812 63.200 0.007 0.000 0.818 104 S HN -0.343 7.950 8.310 0.002 0.018 0.472 105 A N 1.987 124.798 122.820 -0.014 0.000 1.930 105 A HA -0.255 4.049 4.320 -0.028 0.000 0.217 105 A C 2.039 179.605 177.584 -0.031 0.000 1.175 105 A CA 2.865 54.889 52.037 -0.023 0.000 0.627 105 A CB -0.611 18.377 19.000 -0.020 0.000 0.815 105 A HN -0.714 7.342 8.150 -0.009 0.088 0.443 106 L N -1.659 119.551 121.223 -0.022 0.000 2.023 106 L HA -0.334 3.988 4.340 -0.030 0.000 0.205 106 L C 2.077 178.891 176.870 -0.094 0.000 1.073 106 L CA 3.315 58.136 54.840 -0.031 0.000 0.745 106 L CB 0.351 42.420 42.059 0.017 0.000 0.900 106 L HN -0.493 7.731 8.230 -0.009 0.000 0.435 107 I N -1.794 118.726 120.570 -0.083 0.000 2.361 107 I HA -0.564 3.467 4.170 -0.232 0.000 0.251 107 I C 1.332 177.361 176.117 -0.146 0.000 1.133 107 I CA 3.259 64.477 61.300 -0.138 0.000 1.413 107 I CB -0.006 37.950 38.000 -0.072 0.000 1.073 107 I HN -0.119 8.067 8.210 -0.040 0.000 0.424 108 S N -0.550 115.093 115.700 -0.096 0.000 2.402 108 S HA -0.246 4.177 4.470 -0.078 0.000 0.229 108 S C 1.729 176.263 174.600 -0.110 0.000 1.021 108 S CA 3.339 61.489 58.200 -0.083 0.000 0.974 108 S CB -0.270 62.901 63.200 -0.048 0.000 0.800 108 S HN -0.358 7.883 8.310 -0.072 0.026 0.484 109 L N 1.218 122.365 121.223 -0.128 0.000 2.093 109 L HA -0.381 3.897 4.340 -0.103 0.000 0.208 109 L C 1.357 178.093 176.870 -0.224 0.000 1.085 109 L CA 3.231 57.985 54.840 -0.143 0.000 0.755 109 L CB -0.225 41.759 42.059 -0.124 0.000 0.904 109 L HN -0.572 7.458 8.230 -0.119 0.129 0.435 110 Q N -0.362 119.252 119.800 -0.310 0.000 2.030 110 Q HA -0.441 3.615 4.340 -0.474 0.000 0.204 110 Q C 2.298 178.136 176.000 -0.270 0.000 0.986 110 Q CA 3.400 58.962 55.803 -0.401 0.000 0.843 110 Q CB 0.012 28.410 28.738 -0.566 0.000 0.904 110 Q HN -0.644 7.445 8.270 -0.302 0.000 0.420 111 A N -1.611 121.085 122.820 -0.206 0.000 1.969 111 A HA -0.262 3.974 4.320 -0.139 0.000 0.218 111 A C 1.474 178.981 177.584 -0.128 0.000 1.169 111 A CA 2.569 54.520 52.037 -0.144 0.000 0.635 111 A CB -0.365 18.570 19.000 -0.108 0.000 0.810 111 A HN -0.668 7.357 8.150 -0.208 0.000 0.445 112 L N -1.697 119.451 121.223 -0.125 0.000 2.093 112 L HA -0.304 3.992 4.340 -0.073 0.000 0.208 112 L C 2.383 179.183 176.870 -0.117 0.000 1.085 112 L CA 3.058 57.844 54.840 -0.090 0.000 0.755 112 L CB 0.092 42.115 42.059 -0.059 0.000 0.904 112 L HN -0.410 7.631 8.230 -0.137 0.107 0.435 113 L N -2.998 118.102 121.223 -0.205 0.000 2.083 113 L HA -0.361 3.640 4.340 -0.566 0.000 0.209 113 L C 0.954 177.536 176.870 -0.480 0.000 1.083 113 L CA 2.543 57.166 54.840 -0.361 0.000 0.752 113 L CB 0.020 41.934 42.059 -0.241 0.000 0.899 113 L HN -0.075 7.938 8.230 -0.198 0.098 0.433 114 Q N -4.221 115.418 119.800 -0.268 0.000 2.242 114 Q HA 0.018 4.181 4.340 -0.295 0.000 0.246 114 Q C -0.721 175.166 176.000 -0.188 0.000 0.883 114 Q CA -0.070 55.606 55.803 -0.212 0.000 0.984 114 Q CB 0.413 29.112 28.738 -0.064 0.000 1.096 114 Q HN -0.751 7.386 8.270 -0.203 0.011 0.452 115 S N 0.476 116.046 115.700 -0.217 0.000 2.571 115 S HA 0.302 4.709 4.470 -0.105 0.000 0.238 115 S C -2.616 171.906 174.600 -0.131 0.000 1.153 115 S CA -1.877 56.246 58.200 -0.129 0.000 1.141 115 S CB 1.626 64.774 63.200 -0.087 0.000 1.133 115 S HN -0.543 7.429 8.310 -0.267 0.177 0.464 116 P HA 0.134 4.361 4.420 -0.321 0.000 0.271 116 P C -1.229 175.978 177.300 -0.155 0.000 1.233 116 P CA 0.213 63.196 63.100 -0.195 0.000 0.764 116 P CB 0.635 32.275 31.700 -0.100 0.000 0.825 117 E N 3.726 123.799 120.200 -0.211 0.000 3.651 117 E HA 0.256 4.547 4.350 -0.098 0.000 0.220 117 E C -1.335 175.171 176.600 -0.158 0.000 1.222 117 E CA -3.062 53.252 56.400 -0.144 0.000 1.114 117 E CB 0.805 30.436 29.700 -0.115 0.000 1.278 117 E HN 0.122 8.287 8.360 -0.324 0.000 0.412 118 P HA 0.188 4.517 4.420 -0.150 0.000 0.255 118 P C -0.846 176.415 177.300 -0.065 0.000 1.301 118 P CA -0.497 62.535 63.100 -0.115 0.000 0.817 118 P CB 0.604 32.258 31.700 -0.077 0.000 1.259 119 N N 0.719 119.385 118.700 -0.056 0.000 2.051 119 N HA -0.176 4.549 4.740 -0.025 0.000 0.192 119 N C 0.070 175.559 175.510 -0.035 0.000 1.049 119 N CA 2.017 55.047 53.050 -0.035 0.000 0.845 119 N CB 0.273 38.744 38.487 -0.027 0.000 1.031 119 N HN -0.158 8.081 8.380 -0.066 0.102 0.425 120 D N -3.223 117.153 120.400 -0.041 0.000 2.656 120 D HA 0.382 5.001 4.640 -0.035 0.000 0.303 120 D C -2.070 174.199 176.300 -0.052 0.000 1.199 120 D CA -2.119 51.858 54.000 -0.038 0.000 0.797 120 D CB 1.101 41.886 40.800 -0.025 0.000 1.170 120 D HN 0.147 8.489 8.370 -0.047 0.000 0.509 121 P HA 0.147 4.517 4.420 -0.084 0.000 0.329 121 P C -0.717 176.545 177.300 -0.064 0.000 1.319 121 P CA -0.407 62.645 63.100 -0.080 0.000 0.742 121 P CB 1.103 32.736 31.700 -0.111 0.000 1.564 122 Q N -1.993 117.768 119.800 -0.065 0.000 2.390 122 Q HA 0.044 4.357 4.340 -0.046 0.000 0.216 122 Q C 0.074 176.049 176.000 -0.042 0.000 0.916 122 Q CA 0.342 56.114 55.803 -0.051 0.000 0.911 122 Q CB 1.268 29.976 28.738 -0.051 0.000 1.035 122 Q HN 0.263 8.488 8.270 -0.076 0.000 0.541 123 D N 1.090 121.461 120.400 -0.047 0.000 2.347 123 D HA 0.163 4.789 4.640 -0.024 0.000 0.235 123 D C -0.366 175.913 176.300 -0.034 0.000 1.149 123 D CA -0.601 53.379 54.000 -0.033 0.000 0.850 123 D CB 0.825 41.612 40.800 -0.022 0.000 1.061 123 D HN -0.801 7.533 8.370 -0.060 0.000 0.487 124 A N 6.993 129.801 122.820 -0.020 0.000 1.929 124 A HA -0.285 4.023 4.320 -0.021 0.000 0.216 124 A C 1.231 178.817 177.584 0.004 0.000 1.176 124 A CA 3.400 55.430 52.037 -0.012 0.000 0.628 124 A CB 0.131 19.129 19.000 -0.004 0.000 0.816 124 A HN 0.521 8.662 8.150 -0.015 0.000 0.444 125 E N -1.455 118.751 120.200 0.010 0.000 2.085 125 E HA -0.375 4.020 4.350 0.075 0.000 0.194 125 E C 1.796 178.404 176.600 0.013 0.000 0.994 125 E CA 3.351 59.769 56.400 0.030 0.000 0.801 125 E CB -0.639 29.061 29.700 -0.000 0.000 0.743 125 E HN 0.294 8.656 8.360 0.003 0.000 0.453 126 V N -1.250 118.640 119.914 -0.040 0.000 2.307 126 V HA -0.446 3.551 4.120 -0.206 0.000 0.245 126 V C 1.813 177.849 176.094 -0.098 0.000 1.045 126 V CA 4.142 66.369 62.300 -0.122 0.000 1.024 126 V CB -0.794 30.968 31.823 -0.103 0.000 0.651 126 V HN -0.324 7.852 8.190 -0.023 0.000 0.449 127 A N -0.712 122.067 122.820 -0.069 0.000 1.883 127 A HA -0.423 3.850 4.320 -0.078 0.000 0.217 127 A C 2.220 179.813 177.584 0.014 0.000 1.186 127 A CA 3.397 55.406 52.037 -0.047 0.000 0.624 127 A CB -0.885 18.082 19.000 -0.055 0.000 0.822 127 A HN -0.453 7.659 8.150 -0.063 0.000 0.444 128 Q N -1.975 117.840 119.800 0.026 0.000 2.079 128 Q HA -0.357 3.988 4.340 0.009 0.000 0.200 128 Q C 2.681 178.693 176.000 0.021 0.000 0.974 128 Q CA 3.460 59.280 55.803 0.028 0.000 0.840 128 Q CB 0.137 28.898 28.738 0.038 0.000 0.898 128 Q HN 0.017 8.300 8.270 0.022 0.000 0.430 129 H N 0.762 119.796 119.070 -0.059 0.000 2.357 129 H HA -0.257 4.269 4.556 -0.050 0.000 0.301 129 H C 2.094 177.369 175.328 -0.088 0.000 1.082 129 H CA 4.275 60.277 56.048 -0.077 0.000 1.342 129 H CB 0.326 30.018 29.762 -0.116 0.000 1.389 129 H HN -0.296 8.016 8.280 0.177 0.073 0.511 130 Y N -0.144 120.077 120.300 -0.131 0.000 2.293 130 Y HA -0.285 4.181 4.550 -0.140 0.000 0.291 130 Y C 1.004 176.865 175.900 -0.066 0.000 1.137 130 Y CA 2.966 60.973 58.100 -0.154 0.000 1.202 130 Y CB 0.116 38.437 38.460 -0.232 0.000 0.990 130 Y HN 0.139 8.357 8.280 0.078 0.109 0.537 131 L N -3.657 117.608 121.223 0.071 0.000 2.079 131 L HA -0.363 4.018 4.340 0.068 0.000 0.210 131 L C 1.638 178.477 176.870 -0.052 0.000 1.081 131 L CA 2.809 57.663 54.840 0.024 0.000 0.752 131 L CB -0.030 42.040 42.059 0.018 0.000 0.896 131 L HN -0.210 7.972 8.230 0.086 0.100 0.433 132 R N -2.401 118.049 120.500 -0.083 0.000 2.046 132 R HA -0.074 4.219 4.340 -0.078 0.000 0.223 132 R C 1.174 177.404 176.300 -0.117 0.000 1.179 132 R CA 2.118 58.158 56.100 -0.100 0.000 0.952 132 R CB 0.600 30.823 30.300 -0.128 0.000 0.843 132 R HN -0.936 7.276 8.270 -0.080 0.011 0.439 133 D N -0.322 120.001 120.400 -0.129 0.000 2.518 133 D HA 0.287 4.865 4.640 -0.103 0.000 0.230 133 D C -0.338 175.839 176.300 -0.204 0.000 1.138 133 D CA -0.610 53.322 54.000 -0.112 0.000 0.964 133 D CB -0.054 40.721 40.800 -0.042 0.000 1.011 133 D HN -0.411 7.880 8.370 -0.133 0.000 0.517 134 R N 2.040 122.337 120.500 -0.339 0.000 2.127 134 R HA -0.170 3.438 4.340 -1.254 -0.020 0.217 134 R C 1.392 177.496 176.300 -0.326 0.000 1.074 134 R CA 2.491 58.166 56.100 -0.708 0.000 0.991 134 R CB -0.072 29.813 30.300 -0.691 0.000 0.895 134 R HN -0.547 7.577 8.270 -0.244 0.000 0.450 135 E N -0.416 119.696 120.200 -0.148 0.000 2.208 135 E HA -0.216 4.114 4.350 -0.033 0.000 0.193 135 E C 1.401 177.990 176.600 -0.018 0.000 0.988 135 E CA 2.826 59.194 56.400 -0.053 0.000 0.828 135 E CB -0.451 29.228 29.700 -0.036 0.000 0.763 135 E HN 0.475 8.748 8.360 -0.145 0.000 0.478 136 S N -0.331 115.364 115.700 -0.009 0.000 2.414 136 S HA -0.176 4.297 4.470 0.005 0.000 0.227 136 S C 1.272 175.911 174.600 0.066 0.000 1.022 136 S CA 3.555 61.770 58.200 0.025 0.000 0.958 136 S CB -0.047 63.175 63.200 0.037 0.000 0.797 136 S HN 0.050 8.315 8.310 -0.037 0.024 0.493 137 F N 2.229 122.152 119.950 -0.045 0.000 2.416 137 F HA -0.082 4.467 4.527 0.037 0.000 0.296 137 F C 0.872 176.715 175.800 0.071 0.000 1.099 137 F CA 2.421 60.442 58.000 0.034 0.000 1.427 137 F CB 0.612 39.677 39.000 0.109 0.000 1.079 137 F HN -0.723 7.668 8.300 0.151 0.000 0.536 138 N N 0.328 119.138 118.700 0.182 0.000 2.043 138 N HA -0.434 4.391 4.740 0.142 0.000 0.193 138 N C 1.618 177.107 175.510 -0.036 0.000 1.037 138 N CA 3.761 56.866 53.050 0.093 0.000 0.851 138 N CB 0.063 38.597 38.487 0.079 0.000 1.027 138 N HN -0.193 8.266 8.380 0.132 0.000 0.422 139 K N -1.819 118.561 120.400 -0.034 0.000 2.026 139 K HA -0.258 4.033 4.320 -0.049 0.000 0.208 139 K C 2.296 178.846 176.600 -0.084 0.000 1.048 139 K CA 3.248 59.503 56.287 -0.053 0.000 0.929 139 K CB -0.593 31.883 32.500 -0.040 0.000 0.713 139 K HN -0.758 7.485 8.250 -0.011 0.000 0.439 140 T N 1.759 116.239 114.554 -0.123 0.000 2.833 140 T HA -0.333 3.944 4.350 -0.122 0.000 0.269 140 T C 1.814 176.439 174.700 -0.125 0.000 1.054 140 T CA 4.104 66.110 62.100 -0.157 0.000 1.135 140 T CB -0.365 68.357 68.868 -0.244 0.000 0.869 140 T HN -0.755 7.417 8.240 -0.114 0.000 0.466 141 A N 1.637 124.338 122.820 -0.198 0.000 1.873 141 A HA -0.340 3.929 4.320 -0.085 0.000 0.215 141 A C 1.415 178.975 177.584 -0.041 0.000 1.186 141 A CA 3.154 55.119 52.037 -0.120 0.000 0.616 141 A CB -0.897 18.032 19.000 -0.119 0.000 0.823 141 A HN 0.185 7.991 8.150 -0.219 0.213 0.442 142 A N -1.078 121.692 122.820 -0.082 0.000 1.933 142 A HA -0.162 4.293 4.320 -0.036 -0.157 0.218 142 A C 2.002 179.582 177.584 -0.007 0.000 1.175 142 A CA 2.537 54.547 52.037 -0.045 0.000 0.628 142 A CB -0.505 18.462 19.000 -0.055 0.000 0.814 142 A HN -0.407 7.675 8.150 -0.113 0.000 0.444 143 L N -1.656 119.555 121.223 -0.021 0.000 2.027 143 L HA -0.257 4.060 4.340 -0.038 0.000 0.206 143 L C 1.383 178.246 176.870 -0.011 0.000 1.074 143 L CA 3.432 58.248 54.840 -0.041 0.000 0.745 143 L CB -0.313 41.687 42.059 -0.099 0.000 0.898 143 L HN -0.456 7.734 8.230 -0.040 0.016 0.433 144 W N -1.678 119.533 121.300 -0.148 0.000 2.335 144 W HA -0.371 4.145 4.660 -0.240 0.000 0.311 144 W C 2.235 178.678 176.519 -0.126 0.000 1.213 144 W CA 3.664 60.889 57.345 -0.200 0.000 1.274 144 W CB -0.226 29.093 29.460 -0.235 0.000 1.148 144 W HN -0.140 8.127 8.180 0.144 0.000 0.498 145 T N -1.015 113.646 114.554 0.178 0.000 2.821 145 T HA -0.284 4.106 4.350 0.066 0.000 0.267 145 T C 1.568 176.277 174.700 0.015 0.000 1.046 145 T CA 4.317 66.455 62.100 0.062 0.000 1.139 145 T CB -0.665 68.224 68.868 0.034 0.000 0.871 145 T HN -0.412 7.926 8.240 0.165 0.000 0.454 146 R N -1.553 118.964 120.500 0.030 0.000 2.148 146 R HA -0.189 4.147 4.340 -0.007 0.000 0.227 146 R C 1.501 177.817 176.300 0.026 0.000 1.103 146 R CA 2.299 58.405 56.100 0.010 0.000 0.983 146 R CB -0.051 30.251 30.300 0.003 0.000 0.874 146 R HN -0.271 7.927 8.270 0.041 0.097 0.451 147 L N -3.912 117.355 121.223 0.075 0.000 2.253 147 L HA 0.003 4.378 4.340 0.057 0.000 0.205 147 L C 1.664 178.691 176.870 0.262 0.000 1.078 147 L CA 1.757 56.671 54.840 0.123 0.000 0.805 147 L CB 0.850 42.965 42.059 0.094 0.000 0.963 147 L HN -0.439 7.709 8.230 0.080 0.130 0.459 148 Y N -2.471 117.846 120.300 0.029 0.000 2.583 148 Y HA 0.028 4.600 4.550 0.035 0.000 0.294 148 Y C 0.501 176.367 175.900 -0.056 0.000 1.170 148 Y CA -1.912 56.211 58.100 0.039 0.000 1.265 148 Y CB -1.233 37.319 38.460 0.152 0.000 1.119 148 Y HN 0.360 8.753 8.280 0.373 0.111 0.522 149 A N -1.919 120.907 122.820 0.010 0.000 1.969 149 A HA -0.079 4.209 4.320 -0.292 -0.143 0.218 149 A C -0.182 177.346 177.584 -0.094 0.000 1.169 149 A CA 1.365 53.319 52.037 -0.138 0.000 0.635 149 A CB 0.342 19.266 19.000 -0.127 0.000 0.810 149 A HN -0.069 8.011 8.150 0.045 0.097 0.445 150 S N -5.290 110.375 115.700 -0.058 0.000 2.587 150 S HA 0.120 4.563 4.470 -0.046 0.000 0.269 150 S C -2.174 172.382 174.600 -0.073 0.000 1.154 150 S CA -0.197 57.970 58.200 -0.054 0.000 0.824 150 S CB 1.516 64.691 63.200 -0.041 0.000 1.118 150 S HN -0.411 7.850 8.310 -0.045 0.021 0.462 151 E N 1.458 121.617 120.200 -0.068 0.000 2.347 151 E HA 0.250 4.551 4.350 -0.080 0.000 0.285 151 E C -1.216 175.352 176.600 -0.053 0.000 0.925 151 E CA 0.098 56.451 56.400 -0.078 0.000 0.779 151 E CB 2.333 31.963 29.700 -0.117 0.000 1.233 151 E HN 0.098 8.428 8.360 -0.050 0.000 0.414 152 T N 3.000 117.525 114.554 -0.047 0.000 2.845 152 T HA 0.330 4.661 4.350 -0.032 0.000 0.288 152 T C 0.178 174.860 174.700 -0.030 0.000 0.980 152 T CA -0.088 61.991 62.100 -0.035 0.000 1.071 152 T CB 0.729 69.578 68.868 -0.031 0.000 0.941 152 T HN 0.112 8.321 8.240 -0.052 0.000 0.487 153 S N 2.323 118.008 115.700 -0.024 0.000 3.654 153 S HA -0.310 4.149 4.470 -0.017 0.000 0.640 153 S C -1.016 173.572 174.600 -0.021 0.000 2.223 153 S CA 0.273 58.461 58.200 -0.020 0.000 2.391 153 S CB 0.713 63.904 63.200 -0.016 0.000 0.328 153 S HN 0.349 8.645 8.310 -0.024 0.000 1.790 154 N N 0.646 119.336 118.700 -0.016 0.000 2.366 154 N HA 0.015 4.746 4.740 -0.015 0.000 0.277 154 N C -0.725 174.778 175.510 -0.013 0.000 1.275 154 N CA -0.198 52.844 53.050 -0.013 0.000 0.964 154 N CB 0.618 39.100 38.487 -0.009 0.000 1.167 154 N HN 0.015 8.387 8.380 -0.013 0.000 0.568 155 G N -3.723 105.073 108.800 -0.006 0.000 2.690 155 G HA2 0.106 4.063 3.960 -0.005 0.000 0.293 155 G HA3 0.106 4.061 3.960 -0.008 0.000 0.293 155 G C -1.171 173.735 174.900 0.010 0.000 1.399 155 G CA -0.248 44.851 45.100 -0.003 0.000 0.890 155 G HN 0.203 8.492 8.290 -0.001 0.000 0.485 156 Q N 0.908 120.716 119.800 0.013 0.000 2.178 156 Q HA 0.001 4.352 4.340 0.019 0.000 0.195 156 Q C 0.675 176.693 176.000 0.030 0.000 0.960 156 Q CA 1.396 57.211 55.803 0.019 0.000 0.843 156 Q CB 0.369 29.116 28.738 0.016 0.000 0.927 156 Q HN 0.340 8.615 8.270 0.010 0.000 0.487 157 K N -3.324 117.096 120.400 0.033 0.000 2.625 157 K HA 0.246 4.599 4.320 0.055 0.000 0.202 157 K C -0.654 175.981 176.600 0.059 0.000 1.412 157 K CA 0.160 56.475 56.287 0.048 0.000 0.989 157 K CB 2.036 34.561 32.500 0.042 0.000 1.682 157 K HN 0.191 8.456 8.250 0.026 0.000 0.496 158 G N 0.962 109.790 108.800 0.046 0.000 2.455 158 G HA2 0.093 4.080 3.960 0.044 0.000 0.298 158 G HA3 0.093 4.104 3.960 0.084 0.000 0.298 158 G C -1.828 173.088 174.900 0.027 0.000 1.349 158 G CA 0.445 45.576 45.100 0.053 0.000 1.220 158 G HN -0.364 7.947 8.290 0.034 0.000 0.598 159 N N 5.759 124.458 118.700 -0.002 0.000 2.706 159 N HA 0.157 4.900 4.740 0.005 0.000 0.240 159 N C -1.254 174.246 175.510 -0.017 0.000 1.039 159 N CA -0.220 52.825 53.050 -0.009 0.000 0.888 159 N CB 0.310 38.785 38.487 -0.018 0.000 1.128 159 N HN 0.198 8.561 8.380 -0.028 0.000 0.512 160 V N 2.956 122.874 119.914 0.007 0.000 2.513 160 V HA 0.148 4.269 4.120 0.001 0.000 0.299 160 V C -0.781 175.308 176.094 -0.007 0.000 1.035 160 V CA -0.382 61.924 62.300 0.010 0.000 0.889 160 V CB 1.297 33.144 31.823 0.040 0.000 0.988 160 V HN 0.123 8.321 8.190 0.014 0.000 0.440 161 E N 3.770 123.957 120.200 -0.023 0.000 8.880 161 E HA -0.314 3.999 4.350 -0.062 0.000 0.183 161 E C -1.078 175.501 176.600 -0.035 0.000 1.450 161 E CA 1.118 57.494 56.400 -0.041 0.000 2.521 161 E CB 0.171 29.853 29.700 -0.030 0.000 1.229 161 E HN 0.163 8.509 8.360 -0.023 0.000 0.443 162 E N -2.085 118.083 120.200 -0.053 0.000 2.257 162 E HA -0.298 4.061 4.350 0.015 0.000 0.217 162 E C -1.399 175.168 176.600 -0.055 0.000 1.248 162 E CA 0.867 57.279 56.400 0.019 0.000 0.691 162 E CB -1.045 28.739 29.700 0.141 0.000 1.185 162 E HN 0.136 8.446 8.360 -0.082 0.000 0.377 163 S N -3.706 111.845 115.700 -0.249 0.000 3.330 163 S HA -0.013 4.413 4.470 -0.074 0.000 0.259 163 S C 0.707 175.141 174.600 -0.276 0.000 1.095 163 S CA -0.463 57.633 58.200 -0.175 0.000 0.841 163 S CB 0.815 63.954 63.200 -0.101 0.000 0.890 163 S HN -0.424 7.668 8.310 -0.363 0.000 0.446 164 D N 2.681 122.881 120.400 -0.334 0.000 2.453 164 D HA 0.067 4.593 4.640 -0.191 0.000 0.282 164 D C -0.513 175.523 176.300 -0.440 0.000 1.222 164 D CA -0.448 53.383 54.000 -0.283 0.000 1.079 164 D CB 1.368 42.058 40.800 -0.183 0.000 1.128 164 D HN -0.129 8.055 8.370 -0.310 0.000 0.568 165 L N -0.157 120.924 121.223 -0.237 0.000 2.584 165 L HA -0.171 4.122 4.340 -0.077 0.000 0.272 165 L C -0.491 176.259 176.870 -0.201 0.000 1.195 165 L CA 0.717 55.467 54.840 -0.150 0.000 0.920 165 L CB -0.184 41.847 42.059 -0.047 0.000 1.173 165 L HN -0.150 7.987 8.230 -0.157 0.000 0.489 166 Y N 1.929 122.208 120.300 -0.036 0.000 2.359 166 Y HA 0.058 4.585 4.550 -0.039 0.000 0.330 166 Y C 1.100 176.961 175.900 -0.065 0.000 1.143 166 Y CA -0.228 57.844 58.100 -0.048 0.000 1.318 166 Y CB 0.897 39.324 38.460 -0.055 0.000 1.234 166 Y HN -0.156 8.265 8.280 0.235 0.000 0.522 167 G N 2.829 111.671 108.800 0.070 0.000 3.820 167 G HA2 0.096 4.053 3.960 -0.005 0.000 0.293 167 G HA3 0.096 4.065 3.960 0.014 0.000 0.293 167 G C -0.893 173.995 174.900 -0.021 0.000 1.152 167 G CA -0.245 44.863 45.100 0.013 0.000 0.921 167 G HN 0.298 8.631 8.290 0.073 0.000 0.544 168 I N -0.024 120.532 120.570 -0.023 0.000 2.503 168 I HA 0.052 4.179 4.170 -0.073 0.000 0.277 168 I C -1.824 174.212 176.117 -0.134 0.000 1.078 168 I CA -0.220 61.041 61.300 -0.065 0.000 1.184 168 I CB -0.888 37.096 38.000 -0.026 0.000 1.353 168 I HN -0.443 7.702 8.210 0.032 0.084 0.490 169 D N 3.174 123.444 120.400 -0.217 0.000 2.326 169 D HA 0.178 4.713 4.640 -0.176 0.000 0.095 169 D C -0.275 175.899 176.300 -0.210 0.000 1.442 169 D CA 1.557 55.401 54.000 -0.260 0.000 1.342 169 D CB 1.608 42.176 40.800 -0.387 0.000 2.455 169 D HN -0.048 8.194 8.370 -0.214 0.000 0.200 170 H N -3.009 116.031 119.070 -0.051 0.000 2.544 170 H HA -0.078 4.440 4.556 -0.063 0.000 0.269 170 H C 1.089 176.372 175.328 -0.076 0.000 0.970 170 H CA 0.797 56.811 56.048 -0.056 0.000 1.219 170 H CB -0.596 29.146 29.762 -0.033 0.000 1.421 170 H HN 0.130 7.761 8.280 -1.082 0.000 0.555 171 D N 1.569 122.087 120.400 0.197 0.000 2.084 171 D HA -0.172 4.535 4.640 0.112 0.000 0.196 171 D C 1.914 178.173 176.300 -0.068 0.000 0.985 171 D CA 2.916 56.971 54.000 0.090 0.000 0.826 171 D CB -0.272 40.573 40.800 0.075 0.000 0.978 171 D HN 0.161 8.540 8.370 0.073 0.035 0.456 172 L N -1.504 119.626 121.223 -0.154 0.000 2.217 172 L HA -0.146 3.999 4.340 -0.326 0.000 0.211 172 L C 2.127 178.638 176.870 -0.597 0.000 1.107 172 L CA 2.611 57.242 54.840 -0.350 0.000 0.783 172 L CB -0.359 41.520 42.059 -0.300 0.000 0.919 172 L HN -0.134 8.022 8.230 -0.123 0.000 0.442 173 I N 0.211 120.585 120.570 -0.326 0.000 2.233 173 I HA -0.489 3.468 4.170 -0.354 0.000 0.243 173 I C 1.187 177.218 176.117 -0.143 0.000 1.093 173 I CA 4.195 65.348 61.300 -0.245 0.000 1.380 173 I CB -0.233 37.721 38.000 -0.077 0.000 1.067 173 I HN -0.714 7.271 8.210 -0.194 0.108 0.413 174 D N -0.646 119.710 120.400 -0.073 0.000 2.190 174 D HA -0.351 4.295 4.640 0.010 0.000 0.200 174 D C 1.976 178.276 176.300 0.000 0.000 0.992 174 D CA 3.555 57.546 54.000 -0.016 0.000 0.854 174 D CB -0.225 40.572 40.800 -0.005 0.000 0.936 174 D HN 0.261 8.473 8.370 -0.054 0.125 0.462 175 E N -0.235 119.928 120.200 -0.061 0.000 2.028 175 E HA -0.245 4.157 4.350 0.087 0.000 0.191 175 E C 2.456 179.234 176.600 0.296 0.000 0.988 175 E CA 2.912 59.350 56.400 0.063 0.000 0.799 175 E CB -0.265 29.445 29.700 0.017 0.000 0.755 175 E HN -0.751 7.480 8.360 -0.174 0.024 0.447 176 F N -2.203 117.821 119.950 0.124 0.000 2.259 176 F HA -0.021 4.697 4.527 0.319 0.000 0.298 176 F C 2.226 178.169 175.800 0.239 0.000 1.088 176 F CA -0.792 57.349 58.000 0.235 0.000 1.358 176 F CB -0.986 38.115 39.000 0.168 0.000 1.040 176 F HN -0.888 7.268 8.300 -0.240 0.000 0.505 177 E N 1.126 121.498 120.200 0.287 0.000 2.012 177 E HA -0.317 4.408 4.350 0.214 -0.247 0.197 177 E C 3.304 179.976 176.600 0.120 0.000 1.007 177 E CA 2.981 59.489 56.400 0.180 0.000 0.816 177 E CB -0.004 29.755 29.700 0.098 0.000 0.762 177 E HN 0.397 8.763 8.360 0.188 0.106 0.451 178 S N -1.304 114.450 115.700 0.091 0.000 2.419 178 S HA -0.276 4.212 4.470 0.030 0.000 0.235 178 S C 2.088 176.707 174.600 0.032 0.000 1.019 178 S CA 2.793 61.023 58.200 0.049 0.000 0.982 178 S CB -0.260 62.965 63.200 0.043 0.000 0.789 178 S HN -0.463 7.902 8.310 0.092 0.000 0.490 179 Q N -1.232 118.613 119.800 0.076 0.000 2.096 179 Q HA -0.214 4.131 4.340 0.009 0.000 0.204 179 Q C 1.019 176.909 176.000 -0.183 0.000 0.982 179 Q CA 2.160 57.968 55.803 0.008 0.000 0.850 179 Q CB 0.671 29.502 28.738 0.154 0.000 0.901 179 Q HN -0.618 7.628 8.270 0.155 0.116 0.422 180 G N -5.079 103.587 108.800 -0.224 0.000 3.468 180 G HA2 -0.175 3.679 3.960 -0.177 0.000 0.219 180 G HA3 -0.175 3.500 3.960 -0.476 0.000 0.219 180 G C -0.485 174.232 174.900 -0.305 0.000 0.968 180 G CA -0.426 44.477 45.100 -0.328 0.000 0.851 180 G HN -0.526 7.720 8.290 -0.065 0.005 0.524 181 F N 1.010 120.992 119.950 0.052 0.000 2.406 181 F HA 0.101 4.648 4.527 0.033 0.000 0.327 181 F C -0.586 175.255 175.800 0.068 0.000 1.153 181 F CA -1.037 56.996 58.000 0.055 0.000 1.218 181 F CB 0.774 39.812 39.000 0.065 0.000 1.215 181 F HN -0.842 7.263 8.300 -0.325 0.000 0.570 182 E N 0.380 120.730 120.200 0.250 0.000 2.283 182 E HA 0.159 4.585 4.350 0.127 0.000 0.267 182 E C 0.881 177.572 176.600 0.151 0.000 1.045 182 E CA -1.437 55.055 56.400 0.153 0.000 0.884 182 E CB 1.753 31.514 29.700 0.103 0.000 1.106 182 E HN 0.299 8.824 8.360 0.275 0.000 0.408 183 K N 1.590 122.054 120.400 0.106 0.000 2.059 183 K HA -0.461 3.915 4.320 0.094 0.000 0.212 183 K C 1.471 178.117 176.600 0.077 0.000 1.050 183 K CA 4.140 60.477 56.287 0.085 0.000 0.927 183 K CB -0.421 32.112 32.500 0.055 0.000 0.714 183 K HN 0.582 8.884 8.250 0.088 0.000 0.447 184 D N -2.955 117.484 120.400 0.066 0.000 2.228 184 D HA -0.263 4.399 4.640 0.038 0.000 0.203 184 D C 2.407 178.740 176.300 0.054 0.000 0.988 184 D CA 3.648 57.679 54.000 0.051 0.000 0.864 184 D CB -0.650 40.176 40.800 0.044 0.000 0.928 184 D HN 0.277 8.682 8.370 0.066 0.004 0.469 185 K N -1.420 119.029 120.400 0.082 0.000 2.007 185 K HA -0.191 4.141 4.320 0.020 0.000 0.206 185 K C 2.086 178.729 176.600 0.072 0.000 1.047 185 K CA 2.074 58.395 56.287 0.057 0.000 0.937 185 K CB -0.164 32.385 32.500 0.081 0.000 0.718 185 K HN -0.024 8.116 8.250 0.109 0.176 0.438 186 I N -0.431 120.239 120.570 0.167 0.000 2.127 186 I HA -0.530 3.902 4.170 0.436 0.000 0.241 186 I C 1.868 178.051 176.117 0.108 0.000 1.075 186 I CA 3.791 65.237 61.300 0.243 0.000 1.334 186 I CB -0.770 37.328 38.000 0.164 0.000 1.040 186 I HN -0.888 7.432 8.210 0.183 0.000 0.405 187 V N -0.192 119.756 119.914 0.057 0.000 2.278 187 V HA -0.626 3.498 4.120 0.006 0.000 0.251 187 V C 2.260 178.364 176.094 0.017 0.000 1.062 187 V CA 4.857 67.169 62.300 0.021 0.000 1.038 187 V CB -0.959 30.872 31.823 0.013 0.000 0.646 187 V HN 0.161 8.388 8.190 0.062 0.000 0.447 188 E N -0.873 119.338 120.200 0.019 0.000 2.118 188 E HA -0.255 4.094 4.350 -0.001 0.000 0.195 188 E C 2.406 179.006 176.600 0.001 0.000 0.992 188 E CA 3.317 59.719 56.400 0.003 0.000 0.804 188 E CB -0.239 29.458 29.700 -0.004 0.000 0.741 188 E HN -0.578 7.798 8.360 0.027 0.000 0.458 189 V N -2.095 117.829 119.914 0.017 0.000 2.878 189 V HA -0.252 3.863 4.120 -0.009 0.000 0.250 189 V C 1.724 177.845 176.094 0.045 0.000 1.075 189 V CA 3.380 65.691 62.300 0.018 0.000 1.096 189 V CB -0.002 31.826 31.823 0.008 0.000 0.724 189 V HN -0.856 7.247 8.190 0.035 0.109 0.467 190 L N -0.149 121.107 121.223 0.056 0.000 2.068 190 L HA -0.353 4.014 4.340 0.045 0.000 0.204 190 L C 1.800 178.668 176.870 -0.004 0.000 1.076 190 L CA 3.184 58.041 54.840 0.028 0.000 0.753 190 L CB -0.619 41.440 42.059 0.000 0.000 0.910 190 L HN 0.503 8.572 8.230 0.061 0.198 0.439 191 R N -3.405 117.087 120.500 -0.012 0.000 2.096 191 R HA -0.335 3.981 4.340 -0.039 0.000 0.240 191 R C 2.365 178.651 176.300 -0.022 0.000 1.139 191 R CA 3.013 59.097 56.100 -0.026 0.000 0.952 191 R CB -0.046 30.239 30.300 -0.024 0.000 0.854 191 R HN -0.008 8.259 8.270 -0.005 0.000 0.436 192 R N -2.439 118.052 120.500 -0.015 0.000 2.070 192 R HA -0.240 4.089 4.340 -0.018 0.000 0.233 192 R C 1.707 177.999 176.300 -0.013 0.000 1.137 192 R CA 1.788 57.879 56.100 -0.015 0.000 0.945 192 R CB -0.569 29.723 30.300 -0.014 0.000 0.845 192 R HN -0.597 7.667 8.270 -0.010 0.000 0.430 193 L N -0.922 120.297 121.223 -0.006 0.000 1.984 193 L HA -0.072 4.265 4.340 -0.006 0.000 0.207 193 L C 1.334 178.199 176.870 -0.007 0.000 1.111 193 L CA 1.153 55.992 54.840 -0.003 0.000 0.770 193 L CB 0.389 42.454 42.059 0.010 0.000 0.900 193 L HN -0.545 7.684 8.230 -0.001 0.000 0.441 194 G N -3.684 105.113 108.800 -0.005 0.000 2.370 194 G HA2 -0.338 3.628 3.960 -0.025 0.000 0.268 194 G HA3 -0.338 3.605 3.960 -0.029 0.000 0.268 194 G C -0.526 174.371 174.900 -0.006 0.000 1.122 194 G CA -0.142 44.948 45.100 -0.017 0.000 0.963 194 G HN -0.344 7.949 8.290 0.005 0.000 0.500 195 V N -1.577 118.340 119.914 0.005 0.000 3.185 195 V HA -0.119 4.006 4.120 0.009 0.000 0.305 195 V C 0.068 176.168 176.094 0.011 0.000 1.090 195 V CA -0.138 62.169 62.300 0.010 0.000 1.107 195 V CB 0.129 31.963 31.823 0.020 0.000 1.061 195 V HN -0.482 7.715 8.190 0.011 0.000 0.480 196 K N 1.230 121.638 120.400 0.013 0.000 2.412 196 K HA 0.076 4.410 4.320 0.022 0.000 0.201 196 K C 0.590 177.195 176.600 0.007 0.000 1.275 196 K CA 0.750 57.048 56.287 0.018 0.000 0.910 196 K CB 0.576 33.093 32.500 0.028 0.000 1.346 196 K HN 0.351 8.607 8.250 0.010 0.000 0.490 197 S N 1.636 117.337 115.700 0.002 0.000 3.812 197 S HA 0.039 4.506 4.470 -0.005 0.000 0.195 197 S C -0.983 173.620 174.600 0.004 0.000 1.460 197 S CA -0.559 57.639 58.200 -0.003 0.000 1.052 197 S CB -1.114 62.078 63.200 -0.013 0.000 1.385 197 S HN -0.075 8.236 8.310 0.002 0.000 0.490 198 L N 1.814 123.042 121.223 0.009 0.000 2.350 198 L HA 0.116 4.471 4.340 0.026 0.000 0.275 198 L C -0.800 176.082 176.870 0.021 0.000 1.099 198 L CA 0.411 55.263 54.840 0.021 0.000 0.808 198 L CB 1.001 43.075 42.059 0.025 0.000 1.149 198 L HN -0.617 7.554 8.230 0.006 0.063 0.442 199 D N 4.521 124.938 120.400 0.030 0.000 2.217 199 D HA 0.319 4.971 4.640 0.020 0.000 0.248 199 D C -1.266 175.059 176.300 0.042 0.000 1.008 199 D CA -2.630 51.387 54.000 0.028 0.000 0.914 199 D CB 1.772 42.585 40.800 0.022 0.000 1.182 199 D HN -0.039 8.353 8.370 0.037 0.000 0.451 200 P HA -0.044 4.408 4.420 0.053 0.000 0.214 200 P C -0.996 176.338 177.300 0.056 0.000 1.162 200 P CA 1.480 64.608 63.100 0.046 0.000 0.879 200 P CB 0.656 32.376 31.700 0.032 0.000 0.786 201 N N -1.610 117.116 118.700 0.042 0.000 2.628 201 N HA 0.140 4.910 4.740 0.051 0.000 0.299 201 N C -1.840 173.688 175.510 0.030 0.000 1.834 201 N CA 0.353 53.428 53.050 0.040 0.000 0.871 201 N CB 0.655 39.163 38.487 0.034 0.000 1.377 201 N HN 0.028 8.428 8.380 0.033 0.000 0.493 202 D N -0.852 119.566 120.400 0.030 0.000 3.784 202 D HA 0.043 4.694 4.640 0.018 0.000 0.261 202 D C -2.225 174.088 176.300 0.021 0.000 1.391 202 D CA 0.444 54.457 54.000 0.021 0.000 0.797 202 D CB 0.547 41.355 40.800 0.014 0.000 1.391 202 D HN -0.285 8.108 8.370 0.037 0.000 0.734 203 N N -0.777 117.939 118.700 0.026 0.000 2.310 203 N HA 0.121 4.872 4.740 0.018 0.000 0.292 203 N C -0.245 175.277 175.510 0.019 0.000 1.049 203 N CA -0.463 52.602 53.050 0.025 0.000 0.849 203 N CB 2.661 41.172 38.487 0.041 0.000 1.532 203 N HN -0.258 8.140 8.380 0.030 0.000 0.479 204 N N 6.034 124.740 118.700 0.010 0.000 2.142 204 N HA -0.164 4.577 4.740 0.000 0.000 0.186 204 N C 1.867 177.377 175.510 -0.000 0.000 1.023 204 N CA 2.615 55.667 53.050 0.002 0.000 0.852 204 N CB 0.043 38.530 38.487 -0.001 0.000 0.998 204 N HN 0.561 8.946 8.380 0.009 0.000 0.424 205 T N 3.339 117.898 114.554 0.007 0.000 2.759 205 T HA -0.375 3.972 4.350 -0.005 0.000 0.269 205 T C 0.942 175.645 174.700 0.004 0.000 1.042 205 T CA 3.842 65.946 62.100 0.007 0.000 1.140 205 T CB -0.102 68.778 68.868 0.022 0.000 0.864 205 T HN -0.457 7.894 8.240 0.011 -0.105 0.455 206 A N 0.945 123.781 122.820 0.025 0.000 1.859 206 A HA -0.388 3.963 4.320 0.053 0.000 0.217 206 A C 1.841 179.380 177.584 -0.074 0.000 1.198 206 A CA 3.290 55.338 52.037 0.018 0.000 0.629 206 A CB -0.990 18.052 19.000 0.070 0.000 0.830 206 A HN -0.554 7.750 8.150 0.036 -0.133 0.446 207 N N -2.608 116.064 118.700 -0.046 0.000 2.060 207 N HA -0.329 4.370 4.740 -0.068 0.000 0.195 207 N C 2.462 177.918 175.510 -0.090 0.000 1.028 207 N CA 2.883 55.896 53.050 -0.061 0.000 0.861 207 N CB -0.237 38.231 38.487 -0.032 0.000 1.029 207 N HN -0.571 7.798 8.380 -0.018 0.000 0.428 208 R N -1.226 119.230 120.500 -0.074 0.000 2.092 208 R HA -0.259 4.037 4.340 -0.074 0.000 0.231 208 R C 2.609 178.833 176.300 -0.127 0.000 1.119 208 R CA 3.189 59.241 56.100 -0.080 0.000 0.970 208 R CB -0.185 30.085 30.300 -0.051 0.000 0.864 208 R HN -0.824 7.413 8.270 -0.052 0.002 0.440 209 I N 0.852 121.327 120.570 -0.158 0.000 2.113 209 I HA -0.493 3.571 4.170 -0.175 0.000 0.238 209 I C 1.883 177.740 176.117 -0.434 0.000 1.070 209 I CA 4.289 65.440 61.300 -0.249 0.000 1.332 209 I CB -0.098 37.760 38.000 -0.237 0.000 1.044 209 I HN 0.125 8.142 8.210 -0.123 0.119 0.402 210 I N -1.699 118.558 120.570 -0.522 0.000 2.315 210 I HA -0.527 3.055 4.170 -0.981 0.000 0.251 210 I C 2.286 178.165 176.117 -0.397 0.000 1.125 210 I CA 1.532 62.473 61.300 -0.599 0.000 1.392 210 I CB -2.446 35.347 38.000 -0.344 0.000 1.065 210 I HN 0.211 8.158 8.210 -0.438 0.000 0.424 211 E N -0.397 119.659 120.200 -0.240 0.000 2.065 211 E HA -0.362 3.926 4.350 -0.104 0.000 0.201 211 E C 3.335 179.839 176.600 -0.160 0.000 1.016 211 E CA 3.258 59.569 56.400 -0.148 0.000 0.818 211 E CB -0.470 29.168 29.700 -0.104 0.000 0.749 211 E HN -0.290 7.819 8.360 -0.225 0.117 0.453 212 E N -0.541 119.542 120.200 -0.196 0.000 2.170 212 E HA -0.201 4.081 4.350 -0.115 0.000 0.191 212 E C 2.418 178.872 176.600 -0.244 0.000 0.981 212 E CA 2.005 58.304 56.400 -0.168 0.000 0.830 212 E CB 0.116 29.736 29.700 -0.134 0.000 0.775 212 E HN -0.561 7.672 8.360 -0.212 0.000 0.470 213 L N -1.168 119.776 121.223 -0.466 0.000 2.089 213 L HA -0.299 3.729 4.340 -0.520 0.000 0.213 213 L C 1.877 178.437 176.870 -0.516 0.000 1.079 213 L CA 2.911 57.276 54.840 -0.793 0.000 0.758 213 L CB -0.047 40.953 42.059 -1.765 0.000 0.891 213 L HN -0.033 7.823 8.230 -0.490 0.080 0.433 214 L N -4.434 116.657 121.223 -0.221 0.000 2.862 214 L HA -0.026 4.603 4.340 0.481 0.000 0.240 214 L C -0.646 176.270 176.870 0.077 0.000 1.283 214 L CA 0.612 55.570 54.840 0.197 0.000 1.117 214 L CB -1.172 41.035 42.059 0.246 0.000 1.444 214 L HN -0.570 7.463 8.230 -0.298 0.018 0.456 215 K N 0.000 120.411 120.400 0.018 0.000 2.780 215 K HA 0.000 4.340 4.320 0.033 0.000 0.191 215 K CA 0.000 56.294 56.287 0.012 0.000 0.838 215 K CB 0.000 32.498 32.500 -0.003 0.000 1.064 215 K HN 0.000 8.125 8.250 -0.024 0.111 0.543