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 2c04_1_A DATA FIRST_RESID 1 DATA SEQUENCE MFQQLSARLQ EAIGRLRGRG RITEEDLKAT LREIRRALMD ADVNLEVARD DATA SEQUENCE FVERVREEAL GKQVLESLTP AEVILATVYE ALKEALGGEA RLPVLKDRNL DATA SEQUENCE WFLVGLQGSG KTTTAAKLAL YYKGKGRRPL LVAADTQRPA AREQLRLLGE DATA SEQUENCE KVGVPVLEVM DGESPESIRR RVEEKARLEA RDLILVDTAG RLQIDEPLMG DATA SEQUENCE ELARLKEVLG PDEVLLVLDA MTGQEALSVA RAFDEKVGVT GLVLTKLDGD DATA SEQUENCE ARGGAALSAR HVTGKPIYFA GVSEKPEGLE PFYPERLAGR ILGMGDV 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 4.600 4.480 0.200 0.000 0.227 1 M C 0.000 176.620 176.300 0.534 0.000 1.140 1 M CA 0.000 55.506 55.300 0.343 0.000 0.988 1 M CB 0.000 32.756 32.600 0.259 0.000 1.302 2 F N -6.652 113.304 119.950 0.010 0.000 2.691 2 F HA -0.461 4.066 4.527 0.001 0.000 0.487 2 F C 1.435 177.241 175.800 0.010 0.000 0.547 2 F CA 2.387 60.394 58.000 0.010 0.000 0.988 2 F CB -2.432 36.584 39.000 0.026 0.000 1.675 2 F HN -0.018 8.348 8.300 0.109 0.000 0.269 3 Q N -0.777 119.141 119.800 0.196 0.000 2.197 3 Q HA -0.603 3.804 4.340 0.112 0.000 0.211 3 Q C 1.243 177.287 176.000 0.073 0.000 0.993 3 Q CA 3.926 59.796 55.803 0.111 0.000 0.883 3 Q CB -0.228 28.557 28.738 0.078 0.000 0.916 3 Q HN 0.235 8.408 8.270 0.207 0.221 0.418 4 Q N -1.012 118.817 119.800 0.049 0.000 2.049 4 Q HA -0.243 4.109 4.340 0.020 0.000 0.198 4 Q C 1.982 177.991 176.000 0.015 0.000 0.971 4 Q CA 3.340 59.154 55.803 0.018 0.000 0.833 4 Q CB -0.721 28.012 28.738 -0.007 0.000 0.896 4 Q HN 0.063 8.334 8.270 0.046 0.027 0.434 5 L N -0.015 121.213 121.223 0.008 0.000 2.013 5 L HA -0.357 3.969 4.340 -0.023 0.000 0.212 5 L C 1.501 178.397 176.870 0.044 0.000 1.073 5 L CA 3.217 58.059 54.840 0.003 0.000 0.753 5 L CB -0.474 41.575 42.059 -0.016 0.000 0.890 5 L HN 0.012 8.241 8.230 -0.001 0.000 0.432 6 S N 0.140 115.893 115.700 0.088 0.000 2.359 6 S HA -0.336 4.309 4.470 0.094 -0.118 0.223 6 S C 2.330 176.963 174.600 0.055 0.000 1.039 6 S CA 3.695 61.947 58.200 0.086 0.000 1.042 6 S CB -0.673 62.586 63.200 0.099 0.000 0.915 6 S HN 0.272 8.650 8.310 0.114 0.000 0.439 7 A N 0.669 123.515 122.820 0.044 0.000 1.883 7 A HA -0.308 4.031 4.320 0.031 0.000 0.217 7 A C 1.983 179.582 177.584 0.025 0.000 1.186 7 A CA 3.183 55.239 52.037 0.031 0.000 0.624 7 A CB -0.716 18.299 19.000 0.024 0.000 0.822 7 A HN -0.043 8.135 8.150 0.046 0.000 0.444 8 R N -1.502 119.009 120.500 0.019 0.000 2.073 8 R HA -0.281 4.066 4.340 0.011 0.000 0.234 8 R C 2.820 179.132 176.300 0.020 0.000 1.134 8 R CA 3.399 59.507 56.100 0.012 0.000 0.952 8 R CB -0.084 30.215 30.300 -0.002 0.000 0.850 8 R HN -0.091 8.012 8.270 0.017 0.177 0.433 9 L N -1.060 120.179 121.223 0.027 0.000 2.046 9 L HA -0.485 3.880 4.340 0.041 0.000 0.208 9 L C 1.887 178.786 176.870 0.048 0.000 1.077 9 L CA 3.431 58.297 54.840 0.043 0.000 0.747 9 L CB -0.403 41.693 42.059 0.061 0.000 0.896 9 L HN 0.324 8.570 8.230 0.027 0.000 0.432 10 Q N -1.841 117.986 119.800 0.044 0.000 2.124 10 Q HA -0.423 3.943 4.340 0.042 0.000 0.202 10 Q C 2.778 178.795 176.000 0.029 0.000 0.977 10 Q CA 3.678 59.504 55.803 0.038 0.000 0.850 10 Q CB -0.147 28.612 28.738 0.034 0.000 0.901 10 Q HN -0.022 8.275 8.270 0.044 0.000 0.429 11 E N 0.083 120.298 120.200 0.025 0.000 2.106 11 E HA -0.329 4.032 4.350 0.018 0.000 0.192 11 E C 2.237 178.850 176.600 0.021 0.000 0.984 11 E CA 2.788 59.200 56.400 0.020 0.000 0.806 11 E CB -0.298 29.412 29.700 0.016 0.000 0.750 11 E HN -0.167 8.208 8.360 0.025 0.000 0.458 12 A N 0.035 122.870 122.820 0.026 0.000 1.902 12 A HA -0.210 4.124 4.320 0.024 0.000 0.217 12 A C 1.779 179.381 177.584 0.031 0.000 1.181 12 A CA 2.895 54.948 52.037 0.028 0.000 0.623 12 A CB -0.282 18.738 19.000 0.034 0.000 0.818 12 A HN -0.363 7.804 8.150 0.027 0.000 0.443 13 I N -3.273 117.319 120.570 0.036 0.000 2.179 13 I HA -0.459 3.733 4.170 0.037 0.000 0.242 13 I C 2.527 178.659 176.117 0.025 0.000 1.088 13 I CA 3.277 64.598 61.300 0.035 0.000 1.357 13 I CB -0.050 37.975 38.000 0.041 0.000 1.051 13 I HN -0.420 7.814 8.210 0.040 0.000 0.409 14 G N -1.291 107.522 108.800 0.022 0.000 2.432 14 G HA2 -0.305 3.664 3.960 0.015 0.000 0.219 14 G HA3 -0.305 3.663 3.960 0.014 0.000 0.219 14 G C 1.266 176.175 174.900 0.014 0.000 1.135 14 G CA 1.708 46.817 45.100 0.016 0.000 0.767 14 G HN 0.017 8.321 8.290 0.023 0.000 0.550 15 R N 0.914 121.423 120.500 0.016 0.000 2.237 15 R HA -0.245 4.102 4.340 0.012 0.000 0.219 15 R C 1.709 178.017 176.300 0.013 0.000 1.080 15 R CA 2.302 58.410 56.100 0.013 0.000 0.995 15 R CB -0.203 30.105 30.300 0.014 0.000 0.875 15 R HN -0.436 7.827 8.270 0.018 0.017 0.462 16 L N -3.880 117.352 121.223 0.015 0.000 2.492 16 L HA -0.064 4.284 4.340 0.013 0.000 0.223 16 L C -0.126 176.751 176.870 0.011 0.000 1.132 16 L CA 0.215 55.064 54.840 0.014 0.000 0.850 16 L CB -0.225 41.844 42.059 0.017 0.000 0.966 16 L HN -0.687 7.517 8.230 0.017 0.036 0.454 17 R N -0.630 119.876 120.500 0.010 0.000 2.582 17 R HA -0.083 4.261 4.340 0.007 0.000 0.271 17 R C 0.562 176.866 176.300 0.006 0.000 1.078 17 R CA 0.805 56.909 56.100 0.008 0.000 1.127 17 R CB 0.473 30.777 30.300 0.007 0.000 1.038 17 R HN -0.682 7.450 8.270 0.011 0.145 0.500 18 G N 1.225 110.028 108.800 0.005 0.000 2.153 18 G HA2 -0.234 3.728 3.960 0.004 0.000 0.252 18 G HA3 -0.234 3.728 3.960 0.003 0.000 0.252 18 G C 0.264 175.166 174.900 0.004 0.000 0.994 18 G CA 0.514 45.616 45.100 0.004 0.000 0.698 18 G HN 0.488 8.781 8.290 0.005 0.000 0.521 19 R N -1.237 119.266 120.500 0.005 0.000 2.535 19 R HA 0.193 4.536 4.340 0.005 0.000 0.323 19 R C 0.159 176.462 176.300 0.005 0.000 0.979 19 R CA -1.082 55.021 56.100 0.005 0.000 1.120 19 R CB 0.419 30.723 30.300 0.006 0.000 1.306 19 R HN 0.005 8.278 8.270 0.005 0.000 0.540 20 G N 0.938 109.741 108.800 0.004 0.000 2.645 20 G HA2 -0.341 3.622 3.960 0.004 0.000 0.239 20 G HA3 -0.341 3.622 3.960 0.004 0.000 0.239 20 G C -1.036 173.867 174.900 0.005 0.000 1.331 20 G CA -0.609 44.494 45.100 0.004 0.000 0.890 20 G HN -0.108 8.185 8.290 0.004 0.000 0.572 21 R N -0.242 120.261 120.500 0.005 0.000 2.679 21 R HA -0.035 4.438 4.340 0.006 -0.130 0.268 21 R C 0.131 176.435 176.300 0.006 0.000 1.044 21 R CA 0.544 56.647 56.100 0.005 0.000 1.105 21 R CB 0.684 30.987 30.300 0.005 0.000 0.989 21 R HN 0.031 8.303 8.270 0.004 0.000 0.447 22 I N -3.737 116.837 120.570 0.007 0.000 2.822 22 I HA 0.457 4.722 4.170 0.007 -0.090 0.312 22 I C -0.268 175.853 176.117 0.007 0.000 1.011 22 I CA -2.165 59.139 61.300 0.008 0.000 1.105 22 I CB 2.579 40.584 38.000 0.010 0.000 1.291 22 I HN 0.126 8.340 8.210 0.007 0.000 0.474 23 T N -1.572 112.987 114.554 0.008 0.000 2.881 23 T HA 0.274 4.628 4.350 0.006 0.000 0.278 23 T C 1.075 175.779 174.700 0.008 0.000 0.982 23 T CA -2.507 59.597 62.100 0.007 0.000 0.989 23 T CB 2.108 70.980 68.868 0.007 0.000 1.058 23 T HN 0.053 8.595 8.240 0.008 -0.297 0.529 24 E N 0.726 120.931 120.200 0.007 0.000 2.097 24 E HA -0.368 3.987 4.350 0.009 0.000 0.196 24 E C 2.318 178.924 176.600 0.009 0.000 1.000 24 E CA 4.573 60.978 56.400 0.008 0.000 0.804 24 E CB -0.572 29.133 29.700 0.007 0.000 0.740 24 E HN 0.593 8.957 8.360 0.007 0.000 0.454 25 E N -1.878 118.328 120.200 0.009 0.000 2.106 25 E HA -0.217 4.139 4.350 0.009 0.000 0.192 25 E C 2.477 179.083 176.600 0.010 0.000 0.984 25 E CA 2.711 59.116 56.400 0.009 0.000 0.806 25 E CB -0.681 29.024 29.700 0.008 0.000 0.750 25 E HN 0.265 8.630 8.360 0.008 0.000 0.458 26 D N 0.302 120.709 120.400 0.010 0.000 2.123 26 D HA -0.271 4.376 4.640 0.012 0.000 0.196 26 D C 2.163 178.471 176.300 0.015 0.000 0.992 26 D CA 3.248 57.255 54.000 0.012 0.000 0.833 26 D CB -0.326 40.481 40.800 0.011 0.000 0.954 26 D HN -0.421 7.954 8.370 0.009 0.000 0.455 27 L N -0.240 120.992 121.223 0.015 0.000 2.046 27 L HA -0.312 4.040 4.340 0.020 0.000 0.208 27 L C 1.262 178.144 176.870 0.020 0.000 1.077 27 L CA 3.070 57.921 54.840 0.018 0.000 0.747 27 L CB -0.130 41.938 42.059 0.016 0.000 0.896 27 L HN -0.341 7.896 8.230 0.013 0.000 0.432 28 K N -1.525 118.886 120.400 0.017 0.000 2.097 28 K HA -0.447 3.885 4.320 0.020 0.000 0.206 28 K C 2.202 178.814 176.600 0.020 0.000 1.049 28 K CA 3.692 59.990 56.287 0.018 0.000 0.933 28 K CB -0.414 32.094 32.500 0.015 0.000 0.717 28 K HN -0.327 7.932 8.250 0.015 0.000 0.442 29 A N -1.392 121.439 122.820 0.017 0.000 1.902 29 A HA -0.210 4.119 4.320 0.016 0.000 0.217 29 A C 2.152 179.749 177.584 0.021 0.000 1.181 29 A CA 3.254 55.301 52.037 0.017 0.000 0.623 29 A CB -0.876 18.133 19.000 0.014 0.000 0.818 29 A HN -0.275 7.885 8.150 0.016 0.000 0.443 30 T N 2.274 116.843 114.554 0.025 0.000 2.746 30 T HA -0.270 4.262 4.350 0.029 -0.164 0.267 30 T C 1.962 176.686 174.700 0.041 0.000 1.039 30 T CA 4.915 67.034 62.100 0.031 0.000 1.142 30 T CB -0.384 68.504 68.868 0.033 0.000 0.866 30 T HN -0.585 7.669 8.240 0.023 0.000 0.444 31 L N 0.345 121.593 121.223 0.042 0.000 2.083 31 L HA -0.438 3.943 4.340 0.070 0.000 0.209 31 L C 1.834 178.733 176.870 0.048 0.000 1.083 31 L CA 3.483 58.355 54.840 0.054 0.000 0.752 31 L CB -0.686 41.402 42.059 0.047 0.000 0.899 31 L HN -0.197 8.054 8.230 0.036 0.000 0.433 32 R N -1.262 119.258 120.500 0.032 0.000 2.083 32 R HA -0.435 3.918 4.340 0.023 0.000 0.237 32 R C 2.423 178.735 176.300 0.019 0.000 1.137 32 R CA 4.180 60.294 56.100 0.023 0.000 0.951 32 R CB -0.338 29.972 30.300 0.016 0.000 0.851 32 R HN -0.123 8.165 8.270 0.029 0.000 0.434 33 E N -0.284 119.929 120.200 0.021 0.000 2.150 33 E HA -0.279 4.076 4.350 0.009 0.000 0.193 33 E C 2.523 179.132 176.600 0.015 0.000 0.985 33 E CA 2.971 59.380 56.400 0.016 0.000 0.814 33 E CB -0.236 29.475 29.700 0.018 0.000 0.752 33 E HN -0.168 8.126 8.360 0.024 0.080 0.466 34 I N 0.042 120.631 120.570 0.032 0.000 2.202 34 I HA -0.489 3.694 4.170 0.023 0.000 0.242 34 I C 1.512 177.630 176.117 0.003 0.000 1.091 34 I CA 4.609 65.930 61.300 0.036 0.000 1.368 34 I CB -0.026 38.032 38.000 0.096 0.000 1.058 34 I HN 0.036 8.260 8.210 0.041 0.010 0.410 35 R N -0.084 120.428 120.500 0.018 0.000 2.081 35 R HA -0.417 3.911 4.340 -0.021 0.000 0.235 35 R C 2.154 178.434 176.300 -0.034 0.000 1.131 35 R CA 3.952 60.048 56.100 -0.006 0.000 0.960 35 R CB -0.192 30.117 30.300 0.016 0.000 0.856 35 R HN -0.262 7.954 8.270 0.035 0.075 0.436 36 R N -1.914 118.574 120.500 -0.021 0.000 2.105 36 R HA -0.334 3.989 4.340 -0.029 0.000 0.239 36 R C 2.047 178.322 176.300 -0.041 0.000 1.135 36 R CA 3.467 59.551 56.100 -0.027 0.000 0.967 36 R CB -0.259 30.032 30.300 -0.015 0.000 0.861 36 R HN 0.064 8.329 8.270 -0.009 0.000 0.442 37 A N -0.417 122.376 122.820 -0.044 0.000 1.873 37 A HA -0.212 4.080 4.320 -0.046 0.000 0.215 37 A C 2.041 179.569 177.584 -0.094 0.000 1.186 37 A CA 3.027 55.031 52.037 -0.056 0.000 0.616 37 A CB -0.493 18.481 19.000 -0.044 0.000 0.823 37 A HN -0.154 7.892 8.150 -0.034 0.084 0.442 38 L N -2.279 118.865 121.223 -0.132 0.000 2.017 38 L HA -0.504 3.712 4.340 -0.207 0.000 0.208 38 L C 2.599 179.385 176.870 -0.140 0.000 1.073 38 L CA 3.351 58.080 54.840 -0.186 0.000 0.745 38 L CB -0.129 41.769 42.059 -0.269 0.000 0.894 38 L HN -0.325 7.829 8.230 -0.126 0.000 0.432 39 M N -0.717 118.821 119.600 -0.103 0.000 2.229 39 M HA -0.294 4.517 4.480 -0.090 -0.386 0.264 39 M C 3.025 179.280 176.300 -0.075 0.000 1.063 39 M CA 3.672 58.923 55.300 -0.082 0.000 1.114 39 M CB 0.013 32.578 32.600 -0.059 0.000 1.387 39 M HN -0.016 8.219 8.290 -0.092 0.000 0.420 40 D N -0.825 119.534 120.400 -0.069 0.000 2.264 40 D HA -0.225 4.383 4.640 -0.054 0.000 0.208 40 D C 0.082 176.336 176.300 -0.076 0.000 0.966 40 D CA 2.962 56.925 54.000 -0.061 0.000 0.864 40 D CB -0.368 40.403 40.800 -0.049 0.000 0.933 40 D HN 0.073 8.402 8.370 -0.068 0.000 0.499 41 A N -5.479 117.280 122.820 -0.100 0.000 2.278 41 A HA -0.038 4.324 4.320 -0.123 -0.115 0.212 41 A C -1.046 176.454 177.584 -0.139 0.000 1.213 41 A CA -0.558 51.401 52.037 -0.131 0.000 0.840 41 A CB 0.092 18.994 19.000 -0.164 0.000 0.866 41 A HN -0.945 7.005 8.150 -0.106 0.136 0.489 42 D N -5.047 115.286 120.400 -0.112 0.000 2.947 42 D HA -0.372 4.216 4.640 -0.086 0.000 0.224 42 D C -1.862 174.369 176.300 -0.115 0.000 1.132 42 D CA 0.886 54.825 54.000 -0.103 0.000 0.801 42 D CB -1.417 39.323 40.800 -0.101 0.000 1.097 42 D HN -0.414 7.737 8.370 -0.099 0.160 0.431 43 V N -1.795 118.044 119.914 -0.126 0.000 2.607 43 V HA 0.002 4.047 4.120 -0.124 0.000 0.289 43 V C 0.017 176.047 176.094 -0.106 0.000 1.053 43 V CA -0.778 61.445 62.300 -0.129 0.000 0.996 43 V CB 0.707 32.434 31.823 -0.160 0.000 0.995 43 V HN -0.497 7.613 8.190 -0.132 0.000 0.476 44 N N 5.723 124.362 118.700 -0.102 0.000 2.399 44 N HA -0.144 4.555 4.740 -0.069 0.000 0.250 44 N C 0.476 175.935 175.510 -0.085 0.000 1.272 44 N CA 0.026 53.027 53.050 -0.082 0.000 0.928 44 N CB 1.216 39.662 38.487 -0.068 0.000 1.158 44 N HN 0.057 8.372 8.380 -0.108 0.000 0.463 45 L N 1.835 123.023 121.223 -0.058 0.000 1.990 45 L HA -0.338 3.976 4.340 -0.044 0.000 0.213 45 L C 1.555 178.398 176.870 -0.045 0.000 1.072 45 L CA 3.031 57.845 54.840 -0.044 0.000 0.755 45 L CB -0.607 41.437 42.059 -0.026 0.000 0.889 45 L HN 0.474 8.674 8.230 -0.049 0.000 0.432 46 E N -2.249 117.923 120.200 -0.046 0.000 2.086 46 E HA -0.429 3.922 4.350 0.002 0.000 0.200 46 E C 1.966 178.517 176.600 -0.081 0.000 1.012 46 E CA 2.841 59.222 56.400 -0.031 0.000 0.812 46 E CB -1.005 28.693 29.700 -0.004 0.000 0.743 46 E HN -0.469 7.899 8.360 -0.043 -0.034 0.453 47 V N 1.382 121.169 119.914 -0.211 0.000 2.379 47 V HA -0.336 3.470 4.120 -0.523 0.000 0.245 47 V C 2.185 178.223 176.094 -0.093 0.000 1.044 47 V CA 3.851 65.947 62.300 -0.340 0.000 1.036 47 V CB -0.352 31.221 31.823 -0.417 0.000 0.664 47 V HN -0.001 8.396 8.190 -0.200 -0.327 0.453 48 A N -0.300 122.477 122.820 -0.072 0.000 1.902 48 A HA -0.410 3.890 4.320 -0.034 0.000 0.217 48 A C 1.727 179.349 177.584 0.063 0.000 1.181 48 A CA 3.538 55.561 52.037 -0.023 0.000 0.623 48 A CB -0.578 18.385 19.000 -0.061 0.000 0.818 48 A HN 0.189 8.283 8.150 -0.095 0.000 0.443 49 R N -1.776 118.748 120.500 0.039 0.000 2.081 49 R HA -0.391 3.986 4.340 0.061 0.000 0.235 49 R C 2.384 178.738 176.300 0.089 0.000 1.131 49 R CA 3.675 59.810 56.100 0.058 0.000 0.960 49 R CB -0.245 30.077 30.300 0.037 0.000 0.856 49 R HN -0.120 8.157 8.270 0.011 0.000 0.436 50 D N -0.914 119.546 120.400 0.099 0.000 2.117 50 D HA -0.240 4.459 4.640 0.097 0.000 0.197 50 D C 1.967 178.348 176.300 0.135 0.000 0.987 50 D CA 3.081 57.156 54.000 0.123 0.000 0.829 50 D CB -0.508 40.408 40.800 0.193 0.000 0.961 50 D HN -0.212 8.205 8.370 0.079 0.000 0.460 51 F N 1.147 121.107 119.950 0.016 0.000 2.069 51 F HA -0.386 4.156 4.527 0.025 0.000 0.298 51 F C 1.149 176.958 175.800 0.015 0.000 1.113 51 F CA 3.548 61.558 58.000 0.015 0.000 1.214 51 F CB 0.445 39.446 39.000 0.001 0.000 0.978 51 F HN -0.342 8.133 8.300 0.291 0.000 0.474 52 V N -4.308 115.782 119.914 0.294 0.000 2.809 52 V HA -0.351 3.878 4.120 0.181 0.000 0.256 52 V C 1.443 177.572 176.094 0.058 0.000 1.080 52 V CA 3.072 65.476 62.300 0.174 0.000 1.102 52 V CB -1.029 30.893 31.823 0.165 0.000 0.705 52 V HN -0.408 7.964 8.190 0.303 0.000 0.475 53 E N 1.954 122.181 120.200 0.046 0.000 2.077 53 E HA -0.364 3.996 4.350 0.017 0.000 0.193 53 E C 1.727 178.313 176.600 -0.024 0.000 0.989 53 E CA 3.107 59.516 56.400 0.015 0.000 0.800 53 E CB -0.404 29.311 29.700 0.024 0.000 0.746 53 E HN -0.110 8.290 8.360 0.067 0.000 0.452 54 R N -0.848 119.614 120.500 -0.064 0.000 2.073 54 R HA -0.225 4.067 4.340 -0.081 0.000 0.234 54 R C 2.418 178.637 176.300 -0.134 0.000 1.134 54 R CA 2.587 58.617 56.100 -0.117 0.000 0.952 54 R CB -0.794 29.391 30.300 -0.193 0.000 0.850 54 R HN -0.492 7.743 8.270 -0.059 0.000 0.433 55 V N 0.428 120.240 119.914 -0.170 0.000 2.295 55 V HA -0.335 3.705 4.120 -0.133 0.000 0.246 55 V C 2.185 178.254 176.094 -0.042 0.000 1.049 55 V CA 3.623 65.854 62.300 -0.115 0.000 1.024 55 V CB -0.598 31.181 31.823 -0.073 0.000 0.648 55 V HN -0.276 7.793 8.190 -0.200 0.000 0.447 56 R N 0.041 120.529 120.500 -0.021 0.000 2.080 56 R HA -0.522 3.820 4.340 0.003 0.000 0.236 56 R C 1.988 178.281 176.300 -0.011 0.000 1.137 56 R CA 4.201 60.298 56.100 -0.004 0.000 0.943 56 R CB -0.063 30.240 30.300 0.006 0.000 0.846 56 R HN 0.194 8.453 8.270 -0.018 0.000 0.431 57 E N -1.403 118.785 120.200 -0.020 0.000 2.058 57 E HA -0.374 3.969 4.350 -0.012 0.000 0.194 57 E C 2.589 179.177 176.600 -0.020 0.000 0.997 57 E CA 3.346 59.734 56.400 -0.019 0.000 0.801 57 E CB -0.182 29.504 29.700 -0.023 0.000 0.746 57 E HN -0.333 8.012 8.360 -0.025 0.000 0.450 58 E N -0.751 119.430 120.200 -0.032 0.000 2.106 58 E HA -0.297 4.039 4.350 -0.023 0.000 0.192 58 E C 2.357 178.949 176.600 -0.014 0.000 0.984 58 E CA 2.579 58.962 56.400 -0.028 0.000 0.806 58 E CB -0.154 29.520 29.700 -0.043 0.000 0.750 58 E HN -0.359 7.975 8.360 -0.044 0.000 0.458 59 A N -0.192 122.621 122.820 -0.011 0.000 1.898 59 A HA -0.235 4.087 4.320 0.003 0.000 0.216 59 A C 1.976 179.561 177.584 0.001 0.000 1.181 59 A CA 3.219 55.256 52.037 -0.000 0.000 0.620 59 A CB -0.407 18.596 19.000 0.006 0.000 0.819 59 A HN 0.101 8.241 8.150 -0.016 0.000 0.442 60 L N -2.803 118.419 121.223 -0.001 0.000 2.083 60 L HA -0.376 3.965 4.340 0.002 0.000 0.209 60 L C 2.986 179.856 176.870 -0.001 0.000 1.083 60 L CA 2.540 57.380 54.840 0.000 0.000 0.752 60 L CB -0.459 41.600 42.059 -0.000 0.000 0.899 60 L HN 0.005 8.234 8.230 -0.003 0.000 0.433 61 G N -1.153 107.645 108.800 -0.003 0.000 2.432 61 G HA2 -0.277 3.680 3.960 -0.005 0.000 0.219 61 G HA3 -0.277 3.681 3.960 -0.003 0.000 0.219 61 G C 0.504 175.404 174.900 -0.001 0.000 1.135 61 G CA 1.764 46.862 45.100 -0.003 0.000 0.767 61 G HN -0.117 8.170 8.290 -0.006 0.000 0.550 62 K N -1.050 119.350 120.400 0.001 0.000 2.446 62 K HA 0.188 4.510 4.320 0.003 0.000 0.203 62 K C -1.029 175.574 176.600 0.004 0.000 1.027 62 K CA -1.590 54.700 56.287 0.004 0.000 1.166 62 K CB -0.641 31.863 32.500 0.006 0.000 0.869 62 K HN -0.586 7.540 8.250 0.000 0.124 0.504 63 Q N -3.816 115.986 119.800 0.003 0.000 2.478 63 Q HA -0.401 3.941 4.340 0.003 0.000 0.286 63 Q C 0.275 176.278 176.000 0.005 0.000 1.299 63 Q CA 0.522 56.328 55.803 0.004 0.000 0.826 63 Q CB -2.739 26.001 28.738 0.003 0.000 1.199 63 Q HN 0.023 8.117 8.270 0.002 0.177 0.451 64 V N -0.480 119.438 119.914 0.006 0.000 2.490 64 V HA -0.384 3.742 4.120 0.009 0.000 0.250 64 V C 0.918 177.016 176.094 0.008 0.000 1.061 64 V CA 3.080 65.385 62.300 0.008 0.000 1.064 64 V CB -0.042 31.787 31.823 0.011 0.000 0.670 64 V HN -0.437 7.756 8.190 0.006 0.000 0.461 65 L N -4.705 116.522 121.223 0.007 0.000 2.395 65 L HA -0.189 4.156 4.340 0.007 0.000 0.218 65 L C 1.097 177.970 176.870 0.005 0.000 1.130 65 L CA 2.024 56.868 54.840 0.006 0.000 0.826 65 L CB -0.684 41.378 42.059 0.006 0.000 0.941 65 L HN -0.156 8.035 8.230 0.006 0.042 0.451 66 E N -5.231 114.972 120.200 0.005 0.000 2.318 66 E HA -0.009 4.343 4.350 0.004 0.000 0.193 66 E C -0.416 176.186 176.600 0.004 0.000 0.998 66 E CA -0.177 56.225 56.400 0.004 0.000 0.859 66 E CB 0.677 30.379 29.700 0.003 0.000 0.812 66 E HN -0.371 7.855 8.360 0.005 0.137 0.492 67 S N 0.540 116.243 115.700 0.005 0.000 2.562 67 S HA -0.085 4.387 4.470 0.004 0.000 0.281 67 S C 0.890 175.492 174.600 0.004 0.000 1.333 67 S CA 0.385 58.588 58.200 0.005 0.000 1.052 67 S CB 0.067 63.270 63.200 0.006 0.000 0.884 67 S HN -0.752 7.453 8.310 0.006 0.108 0.506 68 L N 3.053 124.278 121.223 0.003 0.000 2.395 68 L HA -0.036 4.306 4.340 0.003 0.000 0.218 68 L C 0.019 176.891 176.870 0.004 0.000 1.130 68 L CA 0.906 55.748 54.840 0.003 0.000 0.826 68 L CB 0.077 42.138 42.059 0.002 0.000 0.941 68 L HN 0.548 8.780 8.230 0.003 0.000 0.451 69 T N -6.149 108.407 114.554 0.004 0.000 3.504 69 T HA 0.467 4.820 4.350 0.005 0.000 0.286 69 T C -1.285 173.419 174.700 0.007 0.000 1.530 69 T CA -3.300 58.803 62.100 0.005 0.000 1.652 69 T CB 0.404 69.273 68.868 0.002 0.000 0.895 69 T HN -0.510 7.696 8.240 0.004 0.037 0.674 70 P HA -0.160 4.267 4.420 0.012 0.000 0.218 70 P C 0.925 178.234 177.300 0.015 0.000 1.148 70 P CA 2.219 65.326 63.100 0.012 0.000 0.822 70 P CB -0.135 31.572 31.700 0.012 0.000 0.784 71 A N -2.104 120.725 122.820 0.014 0.000 1.940 71 A HA -0.303 4.030 4.320 0.022 0.000 0.219 71 A C 2.249 179.844 177.584 0.018 0.000 1.176 71 A CA 3.218 55.266 52.037 0.018 0.000 0.631 71 A CB -0.854 18.155 19.000 0.014 0.000 0.814 71 A HN 0.466 8.612 8.150 0.012 0.012 0.446 72 E N -2.036 118.171 120.200 0.012 0.000 2.106 72 E HA -0.243 4.111 4.350 0.006 0.000 0.192 72 E C 2.503 179.112 176.600 0.015 0.000 0.984 72 E CA 2.406 58.811 56.400 0.008 0.000 0.806 72 E CB -0.615 29.086 29.700 0.001 0.000 0.750 72 E HN -0.487 7.871 8.360 0.009 0.007 0.458 73 V N 0.931 120.855 119.914 0.017 0.000 2.358 73 V HA -0.383 3.749 4.120 0.020 0.000 0.246 73 V C 2.111 178.224 176.094 0.030 0.000 1.047 73 V CA 3.934 66.246 62.300 0.021 0.000 1.035 73 V CB -0.634 31.199 31.823 0.016 0.000 0.658 73 V HN -0.776 7.423 8.190 0.014 0.000 0.452 74 I N -0.064 120.526 120.570 0.033 0.000 2.226 74 I HA -0.229 3.967 4.170 0.043 0.000 0.245 74 I C 2.540 178.695 176.117 0.064 0.000 1.100 74 I CA 1.981 63.308 61.300 0.046 0.000 1.374 74 I CB -1.184 36.844 38.000 0.046 0.000 1.057 74 I HN -0.245 7.982 8.210 0.029 0.000 0.413 75 L N 0.819 122.076 121.223 0.056 0.000 2.013 75 L HA -0.432 3.959 4.340 0.085 0.000 0.212 75 L C 1.514 178.445 176.870 0.101 0.000 1.073 75 L CA 3.713 58.594 54.840 0.069 0.000 0.753 75 L CB -0.835 41.242 42.059 0.031 0.000 0.890 75 L HN -0.036 8.220 8.230 0.043 0.000 0.432 76 A N -3.344 119.523 122.820 0.078 0.000 1.902 76 A HA -0.368 4.041 4.320 0.150 0.000 0.217 76 A C 1.843 179.514 177.584 0.145 0.000 1.181 76 A CA 3.387 55.495 52.037 0.118 0.000 0.623 76 A CB -0.926 18.115 19.000 0.069 0.000 0.818 76 A HN -0.273 7.909 8.150 0.053 0.000 0.443 77 T N 0.490 115.092 114.554 0.079 0.000 2.812 77 T HA -0.198 4.162 4.350 0.017 0.000 0.264 77 T C 1.825 176.532 174.700 0.012 0.000 1.042 77 T CA 3.651 65.768 62.100 0.029 0.000 1.140 77 T CB -0.106 68.763 68.868 0.002 0.000 0.870 77 T HN -0.458 7.821 8.240 0.066 0.000 0.445 78 V N 1.354 121.316 119.914 0.081 0.000 2.407 78 V HA -0.450 3.725 4.120 0.091 0.000 0.248 78 V C 1.309 177.518 176.094 0.191 0.000 1.055 78 V CA 4.347 66.738 62.300 0.151 0.000 1.049 78 V CB -0.847 31.114 31.823 0.229 0.000 0.662 78 V HN -0.005 8.244 8.190 0.099 0.000 0.455 79 Y N 1.451 121.789 120.300 0.064 0.000 2.145 79 Y HA -0.486 4.114 4.550 0.083 0.000 0.286 79 Y C 1.430 177.350 175.900 0.033 0.000 1.145 79 Y CA 3.354 61.488 58.100 0.057 0.000 1.148 79 Y CB -0.143 38.338 38.460 0.034 0.000 0.981 79 Y HN 0.052 8.511 8.280 0.299 0.000 0.507 80 E N -0.512 119.625 120.200 -0.104 0.000 2.110 80 E HA -0.470 3.680 4.350 -0.334 0.000 0.193 80 E C 1.307 177.782 176.600 -0.208 0.000 0.988 80 E CA 3.010 59.287 56.400 -0.205 0.000 0.804 80 E CB -0.391 29.262 29.700 -0.078 0.000 0.745 80 E HN -0.174 8.223 8.360 0.063 0.000 0.458 81 A N -1.193 121.495 122.820 -0.220 0.000 1.929 81 A HA -0.150 3.983 4.320 -0.313 0.000 0.216 81 A C 2.223 179.755 177.584 -0.087 0.000 1.176 81 A CA 2.992 54.806 52.037 -0.372 0.000 0.628 81 A CB -0.407 18.009 19.000 -0.973 0.000 0.816 81 A HN -0.333 7.699 8.150 -0.196 0.000 0.444 82 L N -1.773 119.528 121.223 0.129 0.000 2.056 82 L HA -0.471 4.163 4.340 0.490 0.000 0.207 82 L C 1.881 178.803 176.870 0.086 0.000 1.078 82 L CA 3.040 58.050 54.840 0.283 0.000 0.749 82 L CB -0.329 41.879 42.059 0.249 0.000 0.901 82 L HN 0.030 8.318 8.230 0.097 0.000 0.433 83 K N -0.073 120.262 120.400 -0.108 0.000 2.032 83 K HA -0.439 3.810 4.320 -0.118 0.000 0.209 83 K C 2.353 178.914 176.600 -0.065 0.000 1.048 83 K CA 3.488 59.678 56.287 -0.162 0.000 0.927 83 K CB -0.214 32.057 32.500 -0.381 0.000 0.712 83 K HN -0.165 7.956 8.250 -0.216 0.000 0.441 84 E N -1.126 119.034 120.200 -0.067 0.000 2.038 84 E HA -0.385 3.946 4.350 -0.031 0.000 0.195 84 E C 2.498 179.125 176.600 0.045 0.000 1.000 84 E CA 2.942 59.327 56.400 -0.024 0.000 0.803 84 E CB -0.261 29.410 29.700 -0.047 0.000 0.750 84 E HN -0.183 8.114 8.360 -0.105 0.000 0.448 85 A N -0.944 121.938 122.820 0.103 0.000 1.940 85 A HA -0.325 4.090 4.320 0.158 0.000 0.219 85 A C 1.474 179.149 177.584 0.151 0.000 1.176 85 A CA 3.115 55.251 52.037 0.166 0.000 0.631 85 A CB -0.386 18.776 19.000 0.269 0.000 0.814 85 A HN -0.191 8.024 8.150 0.108 0.000 0.446 86 L N -8.375 112.945 121.223 0.161 0.000 2.554 86 L HA -0.056 4.425 4.340 0.236 0.000 0.226 86 L C 0.198 177.204 176.870 0.227 0.000 1.137 86 L CA 0.310 55.290 54.840 0.234 0.000 0.863 86 L CB 0.194 42.436 42.059 0.304 0.000 0.985 86 L HN -0.609 7.676 8.230 0.142 0.030 0.451 87 G N -5.875 102.995 108.800 0.115 0.000 2.425 87 G HA2 -0.225 3.798 3.960 0.104 0.000 0.177 87 G HA3 -0.225 3.770 3.960 0.057 0.000 0.177 87 G C 0.158 175.066 174.900 0.014 0.000 0.999 87 G CA -0.404 44.740 45.100 0.073 0.000 0.723 87 G HN -0.331 7.730 8.290 0.087 0.281 0.491 88 G N 2.383 111.176 108.800 -0.012 0.000 5.356 88 G HA2 -0.521 3.419 3.960 -0.034 0.000 0.309 88 G HA3 -0.521 3.405 3.960 -0.057 0.000 0.309 88 G C -1.643 173.219 174.900 -0.063 0.000 1.451 88 G CA 0.331 45.405 45.100 -0.043 0.000 0.978 88 G HN 0.281 8.567 8.290 -0.007 0.000 0.771 89 E N 2.539 122.703 120.200 -0.059 0.000 2.244 89 E HA 0.373 4.674 4.350 -0.082 0.000 0.266 89 E C -1.881 174.637 176.600 -0.136 0.000 0.914 89 E CA -2.204 54.147 56.400 -0.082 0.000 0.794 89 E CB 2.944 32.611 29.700 -0.054 0.000 1.210 89 E HN -0.514 7.818 8.360 -0.046 0.000 0.414 90 A N 1.200 123.869 122.820 -0.252 0.000 2.477 90 A HA -0.104 3.978 4.320 -0.396 0.000 0.246 90 A C -0.369 177.057 177.584 -0.263 0.000 1.078 90 A CA 0.406 52.181 52.037 -0.437 0.000 0.770 90 A CB 0.764 19.125 19.000 -1.064 0.000 1.011 90 A HN 0.203 8.206 8.150 -0.245 0.000 0.494 91 R N 2.202 122.596 120.500 -0.175 0.000 2.673 91 R HA 0.343 4.638 4.340 -0.074 0.000 0.281 91 R C -2.284 173.975 176.300 -0.068 0.000 0.991 91 R CA -1.120 54.948 56.100 -0.053 0.000 0.896 91 R CB 3.869 34.221 30.300 0.086 0.000 1.201 91 R HN 0.237 8.407 8.270 -0.165 0.000 0.457 92 L N 1.070 122.205 121.223 -0.146 0.000 2.388 92 L HA 0.354 4.391 4.340 -0.505 0.000 0.264 92 L C -2.443 174.172 176.870 -0.425 0.000 0.998 92 L CA -3.636 51.007 54.840 -0.329 0.000 0.817 92 L CB 3.189 45.156 42.059 -0.153 0.000 1.338 92 L HN 0.172 8.339 8.230 -0.106 0.000 0.414 93 P HA -0.148 3.907 4.420 -0.607 0.000 0.265 93 P C -1.228 176.003 177.300 -0.115 0.000 1.193 93 P CA -0.571 62.135 63.100 -0.656 0.000 0.765 93 P CB 0.235 31.285 31.700 -1.084 0.000 0.823 94 V N 2.355 122.253 119.914 -0.027 0.000 2.614 94 V HA -0.191 3.974 4.120 0.075 0.000 0.291 94 V C -0.211 175.981 176.094 0.164 0.000 1.049 94 V CA 0.230 62.573 62.300 0.072 0.000 1.038 94 V CB 0.418 32.270 31.823 0.049 0.000 0.980 94 V HN -0.022 8.136 8.190 -0.054 0.000 0.481 95 L N 6.878 128.193 121.223 0.153 0.000 2.289 95 L HA 0.077 4.815 4.340 0.147 -0.310 0.285 95 L C -0.524 176.391 176.870 0.075 0.000 1.049 95 L CA -0.496 54.418 54.840 0.124 0.000 0.804 95 L CB 0.870 42.988 42.059 0.098 0.000 1.195 95 L HN 0.239 8.549 8.230 0.134 0.000 0.428 96 K N 2.555 122.988 120.400 0.055 0.000 2.307 96 K HA 0.343 4.682 4.320 0.033 0.000 0.239 96 K C -0.570 176.032 176.600 0.004 0.000 1.083 96 K CA -2.390 53.916 56.287 0.032 0.000 0.913 96 K CB 1.933 34.456 32.500 0.039 0.000 1.322 96 K HN 0.611 9.578 8.250 0.056 -0.683 0.514 97 D N -0.195 120.206 120.400 0.001 0.000 2.144 97 D HA -0.270 4.363 4.640 -0.011 0.000 0.199 97 D C -0.431 175.851 176.300 -0.029 0.000 0.984 97 D CA 2.575 56.568 54.000 -0.011 0.000 0.834 97 D CB 0.163 40.960 40.800 -0.006 0.000 0.955 97 D HN 0.268 8.642 8.370 0.007 0.000 0.465 98 R N -4.416 116.067 120.500 -0.029 0.000 2.574 98 R HA 0.407 4.879 4.340 -0.076 -0.177 0.288 98 R C -1.731 174.539 176.300 -0.050 0.000 1.004 98 R CA -1.432 54.638 56.100 -0.051 0.000 0.895 98 R CB 3.844 34.123 30.300 -0.034 0.000 1.191 98 R HN -0.491 7.736 8.270 -0.015 0.034 0.444 99 N N 2.195 120.824 118.700 -0.118 0.000 2.238 99 N HA 0.322 5.318 4.740 -0.007 -0.261 0.302 99 N C -2.545 172.859 175.510 -0.177 0.000 1.072 99 N CA -0.655 52.314 53.050 -0.135 0.000 0.792 99 N CB 4.791 43.075 38.487 -0.338 0.000 1.425 99 N HN 0.234 8.516 8.380 -0.163 0.000 0.478 100 L N 2.362 123.577 121.223 -0.013 0.000 2.446 100 L HA 0.524 5.174 4.340 -0.039 -0.333 0.268 100 L C -2.746 174.306 176.870 0.302 0.000 0.975 100 L CA -0.823 54.050 54.840 0.056 0.000 0.848 100 L CB 2.767 44.884 42.059 0.097 0.000 1.225 100 L HN 0.576 9.526 8.230 0.102 -0.658 0.410 101 W N 3.629 124.984 121.300 0.092 0.000 2.627 101 W HA 0.695 5.583 4.660 0.076 -0.183 0.339 101 W C -0.912 175.807 176.519 0.334 0.000 1.058 101 W CA -3.699 53.721 57.345 0.125 0.000 1.223 101 W CB 2.282 31.783 29.460 0.069 0.000 1.389 101 W HN 0.860 9.128 8.180 0.147 0.000 0.541 102 F N -0.896 119.197 119.950 0.239 0.000 2.397 102 F HA 0.403 5.281 4.527 0.127 -0.275 0.331 102 F C -0.776 175.101 175.800 0.128 0.000 1.090 102 F CA -2.788 55.298 58.000 0.144 0.000 1.065 102 F CB 1.776 40.834 39.000 0.097 0.000 1.184 102 F HN 0.573 9.155 8.300 0.470 0.000 0.499 103 L N 1.586 122.955 121.223 0.243 0.000 2.296 103 L HA 0.933 5.523 4.340 0.120 -0.178 0.286 103 L C -0.615 176.287 176.870 0.053 0.000 1.023 103 L CA -1.789 53.123 54.840 0.120 0.000 0.812 103 L CB 0.428 42.531 42.059 0.074 0.000 1.223 103 L HN 0.991 9.208 8.230 0.175 0.118 0.421 104 V N -2.978 116.925 119.914 -0.019 0.000 3.001 104 V HA 1.166 5.255 4.120 -0.052 0.000 0.314 104 V C -0.957 174.900 176.094 -0.394 0.000 1.099 104 V CA -3.884 58.336 62.300 -0.134 0.000 0.989 104 V CB 3.691 35.465 31.823 -0.082 0.000 1.040 104 V HN 0.637 8.803 8.190 -0.039 0.000 0.434 105 G N -1.122 107.351 108.800 -0.546 0.000 2.356 105 G HA2 0.086 3.829 3.960 -0.362 0.000 0.300 105 G HA3 0.086 3.436 3.960 -1.017 0.000 0.300 105 G C -2.494 172.353 174.900 -0.088 0.000 1.331 105 G CA 0.151 44.923 45.100 -0.547 0.000 0.905 105 G HN -0.307 7.762 8.290 -0.368 0.000 0.587 106 L N -1.340 119.890 121.223 0.011 0.000 2.439 106 L HA 0.138 4.689 4.340 0.169 -0.109 0.261 106 L C 0.418 177.316 176.870 0.046 0.000 1.153 106 L CA -0.411 54.491 54.840 0.104 0.000 0.808 106 L CB 1.366 43.492 42.059 0.111 0.000 1.126 106 L HN 0.355 8.563 8.230 -0.037 0.000 0.460 107 Q N 2.629 122.460 119.800 0.053 0.000 2.315 107 Q HA -0.263 4.091 4.340 0.024 0.000 0.289 107 Q C 0.923 176.937 176.000 0.023 0.000 1.044 107 Q CA 2.048 57.870 55.803 0.031 0.000 0.920 107 Q CB 0.557 29.313 28.738 0.030 0.000 1.214 107 Q HN 0.648 8.857 8.270 0.068 0.102 0.392 108 G N 4.381 113.190 108.800 0.014 0.000 2.205 108 G HA2 -0.334 3.634 3.960 0.013 0.000 0.261 108 G HA3 -0.334 3.632 3.960 0.009 0.000 0.261 108 G C -0.350 174.554 174.900 0.006 0.000 0.980 108 G CA 0.365 45.471 45.100 0.011 0.000 0.632 108 G HN 0.498 8.795 8.290 0.011 0.000 0.533 109 S N -0.829 114.871 115.700 -0.000 0.000 2.469 109 S HA -0.191 4.274 4.470 -0.009 0.000 0.238 109 S C 0.480 175.072 174.600 -0.013 0.000 0.998 109 S CA 1.496 59.688 58.200 -0.013 0.000 0.957 109 S CB 0.315 63.492 63.200 -0.037 0.000 0.764 109 S HN -0.585 7.610 8.310 0.001 0.115 0.514 110 G N 0.350 109.146 108.800 -0.007 0.000 2.141 110 G HA2 -0.379 3.579 3.960 -0.003 0.000 0.231 110 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.231 110 G C 0.443 175.336 174.900 -0.011 0.000 0.984 110 G CA 0.271 45.368 45.100 -0.005 0.000 0.660 110 G HN -0.306 7.880 8.290 -0.004 0.101 0.525 111 K N 0.301 120.690 120.400 -0.018 0.000 1.985 111 K HA -0.334 3.970 4.320 -0.025 0.000 0.210 111 K C 1.034 177.629 176.600 -0.009 0.000 1.047 111 K CA 3.969 60.243 56.287 -0.022 0.000 0.932 111 K CB -0.065 32.414 32.500 -0.035 0.000 0.716 111 K HN -0.728 7.510 8.250 -0.019 0.000 0.439 112 T N -1.787 112.764 114.554 -0.006 0.000 2.708 112 T HA -0.245 4.234 4.350 -0.003 -0.132 0.266 112 T C 1.961 176.661 174.700 -0.000 0.000 1.037 112 T CA 4.734 66.832 62.100 -0.003 0.000 1.146 112 T CB -1.023 67.844 68.868 -0.002 0.000 0.865 112 T HN 0.337 8.573 8.240 -0.006 0.000 0.435 113 T N 2.495 117.050 114.554 0.001 0.000 2.635 113 T HA -0.353 4.000 4.350 0.005 0.000 0.267 113 T C 1.686 176.386 174.700 -0.000 0.000 1.040 113 T CA 4.719 66.820 62.100 0.003 0.000 1.156 113 T CB -0.989 67.882 68.868 0.005 0.000 0.863 113 T HN 0.005 8.245 8.240 0.000 0.000 0.430 114 T N 4.420 118.971 114.554 -0.005 0.000 2.788 114 T HA -0.393 3.942 4.350 -0.025 0.000 0.268 114 T C 1.317 176.007 174.700 -0.017 0.000 1.044 114 T CA 5.191 67.281 62.100 -0.018 0.000 1.139 114 T CB -0.634 68.223 68.868 -0.018 0.000 0.867 114 T HN -0.207 8.030 8.240 -0.005 0.000 0.454 115 A N 0.409 123.230 122.820 0.003 0.000 1.883 115 A HA -0.316 4.025 4.320 0.034 0.000 0.217 115 A C 1.597 179.192 177.584 0.017 0.000 1.186 115 A CA 3.223 55.272 52.037 0.019 0.000 0.624 115 A CB -1.036 17.975 19.000 0.018 0.000 0.822 115 A HN -0.226 7.925 8.150 0.003 0.000 0.444 116 A N -2.391 120.435 122.820 0.011 0.000 1.933 116 A HA -0.465 3.865 4.320 0.017 0.000 0.218 116 A C 1.798 179.396 177.584 0.022 0.000 1.175 116 A CA 2.927 54.973 52.037 0.015 0.000 0.628 116 A CB -0.702 18.305 19.000 0.011 0.000 0.814 116 A HN -0.441 7.713 8.150 0.007 0.000 0.444 117 K N -0.513 119.893 120.400 0.011 0.000 2.009 117 K HA -0.288 4.177 4.320 0.028 -0.128 0.210 117 K C 2.628 179.238 176.600 0.016 0.000 1.049 117 K CA 3.361 59.653 56.287 0.009 0.000 0.929 117 K CB -0.106 32.383 32.500 -0.019 0.000 0.714 117 K HN -0.418 7.833 8.250 0.003 0.000 0.440 118 L N -1.931 119.276 121.223 -0.026 0.000 2.079 118 L HA -0.417 3.871 4.340 -0.086 0.000 0.210 118 L C 1.976 178.978 176.870 0.220 0.000 1.081 118 L CA 3.360 58.215 54.840 0.026 0.000 0.752 118 L CB -0.426 41.654 42.059 0.036 0.000 0.896 118 L HN 0.053 8.258 8.230 -0.043 0.000 0.433 119 A N -0.859 122.036 122.820 0.126 0.000 1.898 119 A HA -0.329 4.070 4.320 0.132 0.000 0.216 119 A C 1.754 179.400 177.584 0.102 0.000 1.181 119 A CA 3.001 55.102 52.037 0.107 0.000 0.620 119 A CB -0.527 18.498 19.000 0.042 0.000 0.819 119 A HN 0.094 8.284 8.150 0.078 0.007 0.442 120 L N -0.272 121.000 121.223 0.083 0.000 2.012 120 L HA -0.366 4.001 4.340 0.045 0.000 0.210 120 L C 1.168 178.083 176.870 0.075 0.000 1.073 120 L CA 2.947 57.827 54.840 0.066 0.000 0.748 120 L CB -0.701 41.394 42.059 0.060 0.000 0.891 120 L HN -0.308 7.965 8.230 0.073 0.000 0.431 121 Y N -0.402 119.880 120.300 -0.029 0.000 2.114 121 Y HA -0.542 3.971 4.550 -0.061 0.000 0.284 121 Y C 1.548 177.373 175.900 -0.125 0.000 1.143 121 Y CA 4.188 62.230 58.100 -0.097 0.000 1.135 121 Y CB 0.169 38.522 38.460 -0.178 0.000 0.980 121 Y HN -0.097 8.308 8.280 0.208 0.000 0.499 122 Y N -3.567 116.756 120.300 0.038 0.000 2.314 122 Y HA -0.409 4.042 4.550 -0.166 0.000 0.293 122 Y C 2.027 177.865 175.900 -0.103 0.000 1.129 122 Y CA 3.696 61.758 58.100 -0.063 0.000 1.201 122 Y CB -0.165 38.305 38.460 0.017 0.000 0.999 122 Y HN 0.002 8.437 8.280 0.259 0.000 0.541 123 K N 1.503 121.939 120.400 0.060 0.000 2.057 123 K HA -0.271 4.268 4.320 0.013 -0.211 0.207 123 K C 3.114 179.691 176.600 -0.038 0.000 1.049 123 K CA 3.109 59.401 56.287 0.008 0.000 0.931 123 K CB -0.253 32.252 32.500 0.009 0.000 0.714 123 K HN -0.134 8.165 8.250 0.082 0.000 0.440 124 G N -1.132 107.617 108.800 -0.085 0.000 2.471 124 G HA2 -0.182 3.698 3.960 -0.133 0.000 0.219 124 G HA3 -0.182 3.734 3.960 -0.073 0.000 0.219 124 G C 0.514 175.324 174.900 -0.149 0.000 1.125 124 G CA 1.538 46.570 45.100 -0.113 0.000 0.775 124 G HN -0.039 8.197 8.290 -0.090 0.000 0.548 125 K N -0.378 119.902 120.400 -0.199 0.000 2.417 125 K HA 0.145 4.376 4.320 -0.147 0.000 0.196 125 K C 0.398 176.970 176.600 -0.046 0.000 1.023 125 K CA -1.845 54.349 56.287 -0.156 0.000 1.122 125 K CB -0.360 32.000 32.500 -0.234 0.000 0.850 125 K HN -0.869 7.105 8.250 -0.224 0.141 0.521 126 G N -0.901 107.879 108.800 -0.033 0.000 2.157 126 G HA2 -0.390 3.563 3.960 -0.011 0.000 0.239 126 G HA3 -0.390 3.559 3.960 -0.017 0.000 0.239 126 G C -0.506 174.393 174.900 -0.001 0.000 0.982 126 G CA 0.173 45.265 45.100 -0.013 0.000 0.650 126 G HN -0.144 7.944 8.290 -0.043 0.175 0.527 127 R N -1.421 119.088 120.500 0.016 0.000 2.583 127 R HA 0.027 4.415 4.340 -0.016 -0.058 0.268 127 R C -0.053 176.237 176.300 -0.018 0.000 1.101 127 R CA -2.106 53.994 56.100 -0.001 0.000 1.180 127 R CB 0.750 31.053 30.300 0.005 0.000 1.128 127 R HN -0.366 7.924 8.270 0.033 0.000 0.568 128 R N 0.009 120.484 120.500 -0.042 0.000 2.664 128 R HA 0.494 4.816 4.340 -0.030 0.000 0.281 128 R C -2.284 173.979 176.300 -0.062 0.000 1.383 128 R CA -2.288 53.787 56.100 -0.041 0.000 1.563 128 R CB 0.048 30.325 30.300 -0.038 0.000 1.131 128 R HN 0.353 9.286 8.270 -0.059 -0.698 0.599 129 P HA 0.787 5.487 4.420 -0.128 -0.357 0.276 129 P C -1.628 175.634 177.300 -0.064 0.000 1.244 129 P CA -1.247 61.803 63.100 -0.082 0.000 0.801 129 P CB 1.050 32.718 31.700 -0.054 0.000 1.006 130 L N 1.091 122.267 121.223 -0.078 0.000 2.409 130 L HA 0.533 4.849 4.340 -0.041 0.000 0.272 130 L C -2.046 174.793 176.870 -0.051 0.000 0.980 130 L CA -1.130 53.677 54.840 -0.054 0.000 0.826 130 L CB 4.124 46.152 42.059 -0.052 0.000 1.268 130 L HN 0.329 8.495 8.230 -0.106 0.000 0.407 131 L N 5.766 126.970 121.223 -0.033 0.000 2.312 131 L HA 0.723 5.346 4.340 -0.026 -0.298 0.281 131 L C -1.058 175.797 176.870 -0.026 0.000 1.070 131 L CA -0.643 54.182 54.840 -0.025 0.000 0.805 131 L CB 1.498 43.547 42.059 -0.015 0.000 1.174 131 L HN 0.430 8.643 8.230 -0.028 0.000 0.434 132 V N 2.744 122.641 119.914 -0.029 0.000 2.444 132 V HA 0.555 5.014 4.120 -0.031 -0.358 0.294 132 V C -1.502 174.566 176.094 -0.045 0.000 1.022 132 V CA -2.140 60.138 62.300 -0.036 0.000 0.850 132 V CB 2.230 34.028 31.823 -0.042 0.000 0.992 132 V HN 0.613 8.787 8.190 -0.028 0.000 0.426 133 A N 7.628 130.426 122.820 -0.038 0.000 2.506 133 A HA 0.466 4.762 4.320 -0.039 0.000 0.320 133 A C -1.421 176.135 177.584 -0.047 0.000 1.424 133 A CA -1.638 50.376 52.037 -0.037 0.000 1.044 133 A CB 0.305 19.290 19.000 -0.025 0.000 1.140 133 A HN 1.230 9.244 8.150 -0.032 0.117 0.538 134 A N 2.314 125.093 122.820 -0.068 0.000 2.423 134 A HA 0.128 4.407 4.320 -0.068 0.000 0.246 134 A C -1.379 176.168 177.584 -0.063 0.000 1.278 134 A CA -0.964 51.024 52.037 -0.082 0.000 0.903 134 A CB 0.740 19.649 19.000 -0.151 0.000 0.997 134 A HN 0.812 8.917 8.150 -0.076 0.000 0.510 135 D N -1.164 119.211 120.400 -0.042 0.000 2.344 135 D HA -0.085 4.540 4.640 -0.026 0.000 0.253 135 D C 0.634 176.922 176.300 -0.020 0.000 1.255 135 D CA -0.039 53.946 54.000 -0.026 0.000 0.894 135 D CB 0.242 41.032 40.800 -0.016 0.000 1.067 135 D HN -0.321 7.902 8.370 -0.039 0.123 0.492 136 T N 4.507 119.050 114.554 -0.018 0.000 3.148 136 T HA 0.018 4.496 4.350 -0.014 -0.136 0.253 136 T C 1.004 175.700 174.700 -0.007 0.000 1.134 136 T CA 1.374 63.466 62.100 -0.013 0.000 1.051 136 T CB -0.293 68.568 68.868 -0.011 0.000 0.959 136 T HN 0.248 8.477 8.240 -0.018 0.000 0.525 137 Q N 0.869 120.665 119.800 -0.005 0.000 2.245 137 Q HA 0.193 4.531 4.340 -0.002 0.000 0.250 137 Q C -0.284 175.715 176.000 -0.002 0.000 0.830 137 Q CA 0.204 56.006 55.803 -0.002 0.000 0.950 137 Q CB 2.692 31.430 28.738 -0.000 0.000 1.124 137 Q HN 0.057 8.687 8.270 -0.006 -0.363 0.502 138 R N -0.415 120.083 120.500 -0.003 0.000 2.352 138 R HA 0.416 4.756 4.340 -0.001 0.000 0.304 138 R C -2.328 173.970 176.300 -0.003 0.000 1.104 138 R CA -2.548 53.551 56.100 -0.002 0.000 0.991 138 R CB 0.322 30.623 30.300 0.001 0.000 1.140 138 R HN -0.735 7.863 8.270 -0.004 -0.330 0.540 139 P HA -0.242 4.175 4.420 -0.005 0.000 0.216 139 P C 0.807 178.105 177.300 -0.003 0.000 1.153 139 P CA 3.061 66.159 63.100 -0.004 0.000 0.858 139 P CB 0.167 31.865 31.700 -0.003 0.000 0.789 140 A N -4.098 118.721 122.820 -0.002 0.000 1.940 140 A HA -0.218 4.264 4.320 -0.001 -0.163 0.219 140 A C 2.035 179.618 177.584 -0.002 0.000 1.176 140 A CA 2.874 54.910 52.037 -0.001 0.000 0.631 140 A CB -0.886 18.114 19.000 0.000 0.000 0.814 140 A HN 0.279 8.419 8.150 -0.001 0.009 0.446 141 A N -2.882 119.937 122.820 -0.002 0.000 1.933 141 A HA -0.279 4.040 4.320 -0.002 0.000 0.218 141 A C 1.982 179.562 177.584 -0.007 0.000 1.175 141 A CA 2.873 54.908 52.037 -0.003 0.000 0.628 141 A CB -0.529 18.469 19.000 -0.003 0.000 0.814 141 A HN -0.444 7.694 8.150 -0.002 0.010 0.444 142 R N -2.537 117.958 120.500 -0.008 0.000 2.073 142 R HA -0.319 4.013 4.340 -0.013 0.000 0.229 142 R C 2.637 178.933 176.300 -0.008 0.000 1.120 142 R CA 3.691 59.785 56.100 -0.011 0.000 0.967 142 R CB -0.079 30.214 30.300 -0.012 0.000 0.862 142 R HN -0.620 7.557 8.270 -0.008 0.089 0.436 143 E N -0.258 119.939 120.200 -0.006 0.000 2.106 143 E HA -0.327 4.020 4.350 -0.005 0.000 0.192 143 E C 2.375 178.973 176.600 -0.003 0.000 0.984 143 E CA 2.973 59.370 56.400 -0.004 0.000 0.806 143 E CB -0.408 29.291 29.700 -0.003 0.000 0.750 143 E HN -0.143 8.214 8.360 -0.005 0.000 0.458 144 Q N 0.327 120.126 119.800 -0.003 0.000 2.061 144 Q HA -0.317 4.023 4.340 -0.000 0.000 0.204 144 Q C 2.302 178.301 176.000 -0.002 0.000 0.984 144 Q CA 3.185 58.987 55.803 -0.001 0.000 0.846 144 Q CB -0.050 28.688 28.738 -0.001 0.000 0.902 144 Q HN -0.186 8.064 8.270 -0.003 0.018 0.421 145 L N -0.663 120.557 121.223 -0.004 0.000 2.093 145 L HA -0.307 4.031 4.340 -0.003 0.000 0.208 145 L C 1.582 178.449 176.870 -0.005 0.000 1.085 145 L CA 2.841 57.678 54.840 -0.005 0.000 0.755 145 L CB -0.547 41.506 42.059 -0.009 0.000 0.904 145 L HN -0.347 7.789 8.230 -0.006 0.090 0.435 146 R N -0.600 119.896 120.500 -0.006 0.000 2.094 146 R HA -0.431 3.905 4.340 -0.006 0.000 0.239 146 R C 2.178 178.477 176.300 -0.003 0.000 1.137 146 R CA 3.993 60.090 56.100 -0.005 0.000 0.943 146 R CB -0.167 30.130 30.300 -0.005 0.000 0.850 146 R HN -0.212 8.055 8.270 -0.006 0.000 0.433 147 L N -2.478 118.744 121.223 -0.002 0.000 2.156 147 L HA -0.266 4.074 4.340 -0.000 0.000 0.208 147 L C 2.491 179.362 176.870 0.001 0.000 1.095 147 L CA 2.618 57.458 54.840 -0.000 0.000 0.770 147 L CB -0.233 41.827 42.059 0.001 0.000 0.914 147 L HN -0.366 7.863 8.230 -0.002 0.000 0.439 148 L N -1.130 120.094 121.223 0.002 0.000 2.027 148 L HA -0.398 3.945 4.340 0.005 0.000 0.206 148 L C 2.342 179.214 176.870 0.004 0.000 1.074 148 L CA 3.405 58.247 54.840 0.004 0.000 0.745 148 L CB -0.571 41.491 42.059 0.004 0.000 0.898 148 L HN -0.172 7.966 8.230 0.001 0.092 0.433 149 G N -2.222 106.579 108.800 0.002 0.000 2.476 149 G HA2 -0.433 3.576 3.960 -0.002 0.000 0.218 149 G HA3 -0.433 3.529 3.960 0.003 0.000 0.218 149 G C 1.236 176.136 174.900 0.001 0.000 1.164 149 G CA 2.292 47.393 45.100 0.001 0.000 0.768 149 G HN 0.050 8.263 8.290 0.000 0.077 0.560 150 E N 1.242 121.442 120.200 0.000 0.000 2.130 150 E HA -0.406 3.944 4.350 -0.001 0.000 0.196 150 E C 2.467 179.069 176.600 0.002 0.000 0.998 150 E CA 2.877 59.277 56.400 0.000 0.000 0.806 150 E CB -0.697 29.003 29.700 -0.000 0.000 0.738 150 E HN -0.166 8.194 8.360 -0.000 0.000 0.459 151 K N -0.675 119.727 120.400 0.004 0.000 2.228 151 K HA -0.128 4.195 4.320 0.005 0.000 0.202 151 K C 1.499 178.103 176.600 0.008 0.000 1.051 151 K CA 2.201 58.491 56.287 0.006 0.000 0.960 151 K CB 0.416 32.920 32.500 0.007 0.000 0.743 151 K HN -0.393 7.730 8.250 0.004 0.129 0.458 152 V N -8.415 111.504 119.914 0.009 0.000 3.647 152 V HA 0.143 4.271 4.120 0.013 0.000 0.279 152 V C -0.302 175.796 176.094 0.008 0.000 1.314 152 V CA -1.215 61.092 62.300 0.011 0.000 1.125 152 V CB 0.203 32.036 31.823 0.017 0.000 0.907 152 V HN -0.501 7.694 8.190 0.008 0.000 0.434 153 G N 1.109 109.911 108.800 0.004 0.000 2.324 153 G HA2 -0.382 3.579 3.960 0.001 0.000 0.292 153 G HA3 -0.382 3.578 3.960 0.000 0.000 0.292 153 G C -1.006 173.894 174.900 -0.000 0.000 1.079 153 G CA 0.907 46.007 45.100 0.001 0.000 1.026 153 G HN -0.562 7.420 8.290 0.004 0.310 0.506 154 V N 0.495 120.408 119.914 -0.001 0.000 2.686 154 V HA 0.340 4.455 4.120 -0.007 0.000 0.306 154 V C -2.598 173.491 176.094 -0.008 0.000 1.065 154 V CA -3.596 58.701 62.300 -0.005 0.000 0.894 154 V CB 3.573 35.395 31.823 -0.002 0.000 1.004 154 V HN -0.455 7.735 8.190 -0.001 0.000 0.424 155 P HA 0.031 4.445 4.420 -0.011 0.000 0.271 155 P C -1.820 175.471 177.300 -0.015 0.000 1.216 155 P CA -0.489 62.603 63.100 -0.013 0.000 0.776 155 P CB 0.795 32.486 31.700 -0.015 0.000 0.881 156 V N 1.293 121.199 119.914 -0.013 0.000 2.378 156 V HA 0.586 5.099 4.120 -0.017 -0.403 0.288 156 V C -0.245 175.840 176.094 -0.015 0.000 1.016 156 V CA -1.330 60.961 62.300 -0.014 0.000 0.840 156 V CB 1.135 32.951 31.823 -0.012 0.000 0.994 156 V HN -0.015 8.168 8.190 -0.011 0.000 0.431 157 L N 8.401 129.613 121.223 -0.018 0.000 2.290 157 L HA 0.235 4.567 4.340 -0.014 0.000 0.284 157 L C -1.572 175.287 176.870 -0.019 0.000 1.078 157 L CA -0.752 54.078 54.840 -0.017 0.000 0.815 157 L CB 1.620 43.669 42.059 -0.017 0.000 1.162 157 L HN 0.829 9.047 8.230 -0.020 0.000 0.435 158 E N 6.774 126.964 120.200 -0.016 0.000 2.156 158 E HA 0.415 4.883 4.350 -0.020 -0.130 0.279 158 E C -0.060 176.531 176.600 -0.016 0.000 0.965 158 E CA -1.877 54.513 56.400 -0.017 0.000 0.789 158 E CB 1.809 31.501 29.700 -0.013 0.000 1.098 158 E HN 0.453 8.805 8.360 -0.013 0.000 0.397 159 V N 1.257 121.159 119.914 -0.020 0.000 3.185 159 V HA 0.184 4.475 4.120 -0.016 -0.180 0.305 159 V C -0.829 175.257 176.094 -0.013 0.000 1.090 159 V CA -0.725 61.564 62.300 -0.018 0.000 1.107 159 V CB 0.684 32.493 31.823 -0.024 0.000 1.061 159 V HN 0.743 8.919 8.190 -0.025 0.000 0.480 160 M N 0.071 119.665 119.600 -0.010 0.000 2.359 160 M HA 0.139 4.614 4.480 -0.007 0.000 0.322 160 M C -0.089 176.207 176.300 -0.007 0.000 1.166 160 M CA -2.164 53.131 55.300 -0.007 0.000 1.067 160 M CB 0.707 33.304 32.600 -0.005 0.000 1.523 160 M HN 0.399 9.369 8.290 -0.010 -0.685 0.467 161 D N 0.996 121.393 120.400 -0.005 0.000 2.487 161 D HA -0.146 4.676 4.640 -0.005 -0.186 0.243 161 D C 1.700 177.998 176.300 -0.003 0.000 1.154 161 D CA 1.979 55.976 54.000 -0.004 0.000 0.876 161 D CB -0.222 40.577 40.800 -0.003 0.000 1.161 161 D HN 0.074 8.441 8.370 -0.005 0.000 0.478 162 G N 4.031 112.829 108.800 -0.003 0.000 2.180 162 G HA2 -0.488 3.471 3.960 -0.001 0.000 0.263 162 G HA3 -0.488 3.471 3.960 -0.001 0.000 0.263 162 G C -0.611 174.289 174.900 -0.001 0.000 0.989 162 G CA 0.423 45.522 45.100 -0.001 0.000 0.692 162 G HN 0.511 8.799 8.290 -0.004 0.000 0.526 163 E N 0.296 120.495 120.200 -0.003 0.000 2.414 163 E HA -0.076 4.274 4.350 -0.000 0.000 0.263 163 E C -0.437 176.164 176.600 0.001 0.000 1.000 163 E CA 0.210 56.609 56.400 -0.001 0.000 0.914 163 E CB 1.330 31.028 29.700 -0.004 0.000 0.948 163 E HN -0.674 7.510 8.360 -0.005 0.173 0.444 164 S N 5.637 121.340 115.700 0.005 0.000 2.572 164 S HA 0.077 4.553 4.470 0.010 0.000 0.279 164 S C -0.013 174.595 174.600 0.012 0.000 1.341 164 S CA -1.469 56.737 58.200 0.009 0.000 1.043 164 S CB -0.346 62.860 63.200 0.011 0.000 0.887 164 S HN 0.172 8.485 8.310 0.005 0.000 0.516 165 P HA -0.238 4.197 4.420 0.025 0.000 0.216 165 P C 1.557 178.876 177.300 0.032 0.000 1.150 165 P CA 2.657 65.774 63.100 0.029 0.000 0.837 165 P CB 0.152 31.878 31.700 0.044 0.000 0.786 166 E N -2.144 118.072 120.200 0.027 0.000 2.110 166 E HA -0.305 4.062 4.350 0.029 0.000 0.193 166 E C 2.506 179.118 176.600 0.019 0.000 0.988 166 E CA 3.959 60.373 56.400 0.025 0.000 0.804 166 E CB -1.004 28.708 29.700 0.020 0.000 0.745 166 E HN -0.031 8.319 8.360 0.025 0.024 0.458 167 S N -0.251 115.457 115.700 0.014 0.000 2.383 167 S HA -0.253 4.223 4.470 0.010 0.000 0.227 167 S C 1.804 176.410 174.600 0.009 0.000 1.026 167 S CA 3.190 61.396 58.200 0.010 0.000 0.981 167 S CB -0.645 62.559 63.200 0.006 0.000 0.818 167 S HN -0.489 7.743 8.310 0.014 0.087 0.472 168 I N 2.882 123.458 120.570 0.010 0.000 2.226 168 I HA -0.480 3.691 4.170 0.001 0.000 0.245 168 I C 1.564 177.691 176.117 0.015 0.000 1.100 168 I CA 3.832 65.135 61.300 0.006 0.000 1.374 168 I CB -0.416 37.584 38.000 -0.001 0.000 1.057 168 I HN 0.042 8.258 8.210 0.011 0.000 0.413 169 R N -0.105 120.412 120.500 0.027 0.000 2.083 169 R HA -0.415 3.950 4.340 0.042 0.000 0.237 169 R C 2.207 178.521 176.300 0.022 0.000 1.137 169 R CA 3.834 59.955 56.100 0.035 0.000 0.951 169 R CB -0.213 30.112 30.300 0.042 0.000 0.851 169 R HN 0.015 8.303 8.270 0.030 0.000 0.434 170 R N -2.299 118.211 120.500 0.017 0.000 2.083 170 R HA -0.318 4.029 4.340 0.012 0.000 0.237 170 R C 2.644 178.948 176.300 0.007 0.000 1.137 170 R CA 3.610 59.717 56.100 0.011 0.000 0.951 170 R CB -0.315 29.991 30.300 0.009 0.000 0.851 170 R HN -0.394 7.886 8.270 0.017 0.000 0.434 171 R N -1.585 118.918 120.500 0.005 0.000 2.115 171 R HA -0.260 4.080 4.340 0.001 0.000 0.230 171 R C 2.578 178.878 176.300 -0.000 0.000 1.111 171 R CA 3.203 59.304 56.100 0.001 0.000 0.976 171 R CB -0.324 29.975 30.300 -0.001 0.000 0.870 171 R HN -0.414 7.860 8.270 0.007 0.000 0.445 172 V N 0.791 120.707 119.914 0.003 0.000 2.295 172 V HA -0.483 3.635 4.120 -0.004 0.000 0.246 172 V C 2.177 178.271 176.094 0.001 0.000 1.049 172 V CA 4.568 66.870 62.300 0.002 0.000 1.024 172 V CB -0.680 31.150 31.823 0.011 0.000 0.648 172 V HN 0.444 8.638 8.190 0.006 0.000 0.447 173 E N -1.238 118.966 120.200 0.006 0.000 2.077 173 E HA -0.386 3.965 4.350 0.001 0.000 0.193 173 E C 2.454 179.053 176.600 -0.002 0.000 0.989 173 E CA 2.355 58.757 56.400 0.004 0.000 0.800 173 E CB -0.969 28.736 29.700 0.008 0.000 0.746 173 E HN 0.003 8.370 8.360 0.010 0.000 0.452 174 E N 0.256 120.455 120.200 -0.001 0.000 2.051 174 E HA -0.353 3.995 4.350 -0.003 0.000 0.192 174 E C 1.976 178.572 176.600 -0.006 0.000 0.991 174 E CA 3.055 59.453 56.400 -0.003 0.000 0.799 174 E CB 0.010 29.709 29.700 -0.002 0.000 0.748 174 E HN 0.266 8.609 8.360 0.001 0.017 0.449 175 K N -0.579 119.816 120.400 -0.008 0.000 2.057 175 K HA -0.296 4.018 4.320 -0.010 0.000 0.207 175 K C 2.334 178.925 176.600 -0.015 0.000 1.049 175 K CA 3.273 59.553 56.287 -0.011 0.000 0.931 175 K CB -0.159 32.333 32.500 -0.012 0.000 0.714 175 K HN -0.029 8.217 8.250 -0.007 0.000 0.440 176 A N -1.734 121.076 122.820 -0.017 0.000 1.933 176 A HA -0.330 3.973 4.320 -0.028 0.000 0.218 176 A C 1.848 179.420 177.584 -0.020 0.000 1.175 176 A CA 3.200 55.223 52.037 -0.023 0.000 0.628 176 A CB -0.607 18.377 19.000 -0.026 0.000 0.814 176 A HN 0.040 8.182 8.150 -0.014 0.000 0.444 177 R N -0.301 120.191 120.500 -0.014 0.000 2.062 177 R HA -0.285 4.047 4.340 -0.014 0.000 0.231 177 R C 2.846 179.139 176.300 -0.012 0.000 1.136 177 R CA 3.132 59.225 56.100 -0.012 0.000 0.948 177 R CB -0.107 30.188 30.300 -0.008 0.000 0.845 177 R HN -0.114 8.149 8.270 -0.012 0.000 0.430 178 L N -0.835 120.382 121.223 -0.011 0.000 2.131 178 L HA -0.238 4.097 4.340 -0.009 0.000 0.210 178 L C 1.726 178.589 176.870 -0.012 0.000 1.092 178 L CA 2.671 57.505 54.840 -0.010 0.000 0.759 178 L CB 0.142 42.196 42.059 -0.008 0.000 0.903 178 L HN 0.371 8.586 8.230 -0.010 0.009 0.435 179 E N -4.237 115.955 120.200 -0.015 0.000 2.501 179 E HA 0.120 4.462 4.350 -0.014 0.000 0.201 179 E C -0.936 175.652 176.600 -0.020 0.000 1.016 179 E CA -0.842 55.548 56.400 -0.016 0.000 0.920 179 E CB 0.474 30.163 29.700 -0.018 0.000 1.023 179 E HN -0.098 8.224 8.360 -0.016 0.028 0.474 180 A N -0.451 122.357 122.820 -0.020 0.000 2.640 180 A HA -0.454 3.885 4.320 -0.022 -0.031 0.300 180 A C -1.088 176.478 177.584 -0.031 0.000 1.499 180 A CA 0.676 52.700 52.037 -0.023 0.000 0.759 180 A CB -1.545 17.444 19.000 -0.019 0.000 1.048 180 A HN -0.422 7.547 8.150 -0.018 0.170 0.450 181 R N -2.063 118.415 120.500 -0.037 0.000 2.543 181 R HA 0.174 4.777 4.340 -0.052 -0.294 0.277 181 R C 0.538 176.799 176.300 -0.065 0.000 1.074 181 R CA -1.041 55.028 56.100 -0.052 0.000 1.076 181 R CB 0.082 30.349 30.300 -0.054 0.000 0.993 181 R HN 0.128 8.373 8.270 -0.033 0.006 0.459 182 D N -1.349 118.998 120.400 -0.088 0.000 2.498 182 D HA 0.051 4.638 4.640 -0.089 0.000 0.223 182 D C -1.483 174.709 176.300 -0.180 0.000 1.125 182 D CA -0.110 53.827 54.000 -0.105 0.000 0.835 182 D CB 2.171 42.923 40.800 -0.079 0.000 1.086 182 D HN 0.352 8.562 8.370 -0.092 0.105 0.510 183 L N 0.800 121.887 121.223 -0.226 0.000 2.376 183 L HA 0.891 5.100 4.340 -0.463 -0.147 0.275 183 L C -2.560 174.121 176.870 -0.315 0.000 0.987 183 L CA -0.880 53.724 54.840 -0.393 0.000 0.828 183 L CB 3.269 45.012 42.059 -0.527 0.000 1.249 183 L HN -0.980 7.140 8.230 -0.183 0.000 0.409 184 I N 6.121 126.497 120.570 -0.323 0.000 2.389 184 I HA 0.447 4.842 4.170 -0.145 -0.312 0.288 184 I C -1.740 174.281 176.117 -0.160 0.000 0.999 184 I CA -1.102 60.092 61.300 -0.175 0.000 1.129 184 I CB 2.360 40.312 38.000 -0.081 0.000 1.288 184 I HN 0.879 8.851 8.210 -0.397 0.000 0.444 185 L N 7.968 129.137 121.223 -0.090 0.000 2.295 185 L HA 0.617 5.140 4.340 0.059 -0.147 0.281 185 L C -1.235 175.651 176.870 0.026 0.000 1.018 185 L CA -1.337 53.502 54.840 -0.001 0.000 0.841 185 L CB 1.309 43.360 42.059 -0.013 0.000 1.218 185 L HN 0.851 9.031 8.230 -0.084 0.000 0.424 186 V N 5.093 125.049 119.914 0.069 0.000 2.334 186 V HA 0.105 4.437 4.120 -0.056 -0.245 0.267 186 V C -1.094 174.957 176.094 -0.071 0.000 1.040 186 V CA -1.273 61.001 62.300 -0.043 0.000 0.866 186 V CB 0.263 31.988 31.823 -0.162 0.000 1.019 186 V HN 0.733 9.018 8.190 0.158 0.000 0.468 187 D N 9.999 130.362 120.400 -0.060 0.000 2.359 187 D HA 0.146 4.768 4.640 -0.029 0.000 0.250 187 D C -0.286 175.960 176.300 -0.091 0.000 1.264 187 D CA -0.946 53.024 54.000 -0.050 0.000 0.911 187 D CB 1.035 41.819 40.800 -0.026 0.000 1.056 187 D HN 0.821 9.160 8.370 -0.051 0.000 0.499 188 T N 2.914 117.402 114.554 -0.109 0.000 2.754 188 T HA 0.043 4.301 4.350 -0.153 0.000 0.286 188 T C -0.331 174.348 174.700 -0.035 0.000 0.997 188 T CA -1.547 60.484 62.100 -0.115 0.000 0.982 188 T CB 1.363 70.153 68.868 -0.130 0.000 1.027 188 T HN -0.067 8.120 8.240 -0.089 0.000 0.529 189 A N -0.991 121.821 122.820 -0.013 0.000 2.488 189 A HA -0.120 4.203 4.320 0.004 0.000 0.249 189 A C -0.744 176.872 177.584 0.054 0.000 1.083 189 A CA 0.860 52.906 52.037 0.015 0.000 0.768 189 A CB 0.531 19.542 19.000 0.018 0.000 1.017 189 A HN 0.224 8.361 8.150 -0.021 0.000 0.496 190 G N -0.504 108.322 108.800 0.044 0.000 2.372 190 G HA2 0.245 4.233 3.960 0.047 0.000 0.323 190 G HA3 0.245 4.411 3.960 0.102 -0.145 0.323 190 G C -1.851 173.085 174.900 0.060 0.000 1.152 190 G CA -0.723 44.416 45.100 0.065 0.000 0.906 190 G HN -0.051 8.255 8.290 0.028 0.000 0.460 191 R N -0.208 120.341 120.500 0.083 0.000 2.795 191 R HA 0.383 4.893 4.340 0.043 -0.144 0.275 191 R C 0.709 177.046 176.300 0.062 0.000 0.981 191 R CA -3.359 52.776 56.100 0.058 0.000 0.917 191 R CB 3.143 33.471 30.300 0.046 0.000 1.202 191 R HN -0.102 8.239 8.270 0.119 0.000 0.469 192 L N 0.071 121.319 121.223 0.041 0.000 2.127 192 L HA -0.284 4.081 4.340 0.041 0.000 0.211 192 L C -0.467 176.428 176.870 0.043 0.000 1.089 192 L CA 3.171 58.034 54.840 0.038 0.000 0.757 192 L CB 0.303 42.376 42.059 0.024 0.000 0.899 192 L HN 0.282 8.622 8.230 0.032 -0.091 0.434 193 Q N -6.528 113.292 119.800 0.035 0.000 2.389 193 Q HA 0.078 4.440 4.340 0.035 0.000 0.277 193 Q C -1.496 174.508 176.000 0.007 0.000 1.082 193 Q CA -2.675 53.143 55.803 0.024 0.000 0.810 193 Q CB 1.954 30.697 28.738 0.008 0.000 1.374 193 Q HN -0.804 7.455 8.270 0.030 0.028 0.422 194 I N -3.053 117.501 120.570 -0.026 0.000 2.754 194 I HA -0.141 3.978 4.170 -0.085 0.000 0.285 194 I C -1.367 174.706 176.117 -0.073 0.000 1.166 194 I CA 0.776 62.019 61.300 -0.096 0.000 1.417 194 I CB 0.366 38.225 38.000 -0.235 0.000 1.382 194 I HN 0.404 8.600 8.210 -0.022 0.000 0.588 195 D N 1.000 121.356 120.400 -0.074 0.000 2.652 195 D HA 0.296 4.904 4.640 -0.055 0.000 0.285 195 D C 0.108 176.372 176.300 -0.059 0.000 1.173 195 D CA -1.704 52.263 54.000 -0.055 0.000 0.981 195 D CB 3.121 43.903 40.800 -0.030 0.000 1.440 195 D HN -0.506 7.815 8.370 -0.081 0.000 0.485 196 E N -1.883 118.291 120.200 -0.043 0.000 2.046 196 E HA 0.009 4.329 4.350 -0.050 0.000 0.190 196 E C -0.174 176.409 176.600 -0.028 0.000 0.982 196 E CA 4.456 60.833 56.400 -0.039 0.000 0.800 196 E CB -2.199 27.484 29.700 -0.029 0.000 0.756 196 E HN 0.427 8.766 8.360 -0.035 0.000 0.449 197 P HA -0.214 4.201 4.420 -0.008 0.000 0.215 197 P C 1.416 178.712 177.300 -0.007 0.000 1.157 197 P CA 2.750 65.844 63.100 -0.010 0.000 0.868 197 P CB -0.322 31.373 31.700 -0.007 0.000 0.788 198 L N -1.446 119.772 121.223 -0.009 0.000 2.056 198 L HA -0.128 4.217 4.340 0.009 0.000 0.207 198 L C 2.041 178.912 176.870 0.002 0.000 1.078 198 L CA 2.919 57.760 54.840 0.001 0.000 0.749 198 L CB -0.225 41.839 42.059 0.008 0.000 0.901 198 L HN -0.242 8.484 8.230 -0.014 -0.505 0.433 199 M N -1.762 117.820 119.600 -0.030 0.000 2.159 199 M HA -0.397 4.066 4.480 -0.030 0.000 0.263 199 M C 2.200 178.499 176.300 -0.002 0.000 1.063 199 M CA 2.509 57.785 55.300 -0.040 0.000 1.110 199 M CB -1.287 31.252 32.600 -0.102 0.000 1.374 199 M HN -0.189 7.965 8.290 -0.046 0.109 0.411 200 G N -1.230 107.568 108.800 -0.004 0.000 2.446 200 G HA2 -0.397 3.565 3.960 0.005 0.000 0.217 200 G HA3 -0.397 3.568 3.960 0.010 0.000 0.217 200 G C 0.910 175.826 174.900 0.027 0.000 1.168 200 G CA 2.146 47.252 45.100 0.009 0.000 0.771 200 G HN 0.079 8.256 8.290 -0.013 0.106 0.551 201 E N 2.313 122.529 120.200 0.026 0.000 2.072 201 E HA -0.276 4.095 4.350 0.035 0.000 0.191 201 E C 2.271 178.909 176.600 0.063 0.000 0.985 201 E CA 2.631 59.052 56.400 0.036 0.000 0.801 201 E CB -0.069 29.644 29.700 0.023 0.000 0.750 201 E HN -0.306 7.990 8.360 0.018 0.075 0.452 202 L N -0.643 120.627 121.223 0.077 0.000 1.989 202 L HA -0.509 3.916 4.340 0.141 0.000 0.211 202 L C 2.130 179.109 176.870 0.183 0.000 1.071 202 L CA 3.337 58.262 54.840 0.142 0.000 0.749 202 L CB -0.418 41.742 42.059 0.169 0.000 0.890 202 L HN 0.374 8.538 8.230 0.062 0.104 0.431 203 A N -2.215 120.677 122.820 0.120 0.000 1.933 203 A HA -0.348 4.041 4.320 0.116 0.000 0.218 203 A C 1.790 179.434 177.584 0.099 0.000 1.175 203 A CA 3.149 55.246 52.037 0.101 0.000 0.628 203 A CB -0.826 18.208 19.000 0.057 0.000 0.814 203 A HN 0.198 8.401 8.150 0.088 0.000 0.444 204 R N -0.753 119.798 120.500 0.086 0.000 2.075 204 R HA -0.214 4.165 4.340 0.065 0.000 0.232 204 R C 2.018 178.386 176.300 0.114 0.000 1.126 204 R CA 1.807 57.953 56.100 0.078 0.000 0.963 204 R CB -0.532 29.801 30.300 0.055 0.000 0.858 204 R HN -0.477 7.838 8.270 0.076 0.000 0.435 205 L N -0.371 120.944 121.223 0.153 0.000 2.042 205 L HA -0.358 4.079 4.340 0.162 0.000 0.210 205 L C 1.233 178.331 176.870 0.380 0.000 1.076 205 L CA 3.478 58.449 54.840 0.218 0.000 0.749 205 L CB -0.290 41.860 42.059 0.152 0.000 0.893 205 L HN 0.132 8.445 8.230 0.140 0.000 0.432 206 K N -1.042 119.587 120.400 0.381 0.000 2.063 206 K HA -0.474 3.847 4.320 0.002 0.000 0.208 206 K C 2.130 178.758 176.600 0.047 0.000 1.048 206 K CA 3.785 60.152 56.287 0.133 0.000 0.928 206 K CB -0.302 32.205 32.500 0.012 0.000 0.713 206 K HN 0.048 8.513 8.250 0.359 0.000 0.442 207 E N -1.644 118.598 120.200 0.070 0.000 2.051 207 E HA -0.322 4.040 4.350 0.019 0.000 0.192 207 E C 2.162 178.792 176.600 0.050 0.000 0.991 207 E CA 2.717 59.142 56.400 0.041 0.000 0.799 207 E CB 0.049 29.773 29.700 0.041 0.000 0.748 207 E HN -0.450 7.876 8.360 0.090 0.089 0.449 208 V N -2.155 117.806 119.914 0.079 0.000 2.488 208 V HA -0.262 3.891 4.120 0.054 0.000 0.246 208 V C 1.429 177.575 176.094 0.088 0.000 1.046 208 V CA 3.305 65.650 62.300 0.074 0.000 1.053 208 V CB 0.190 32.057 31.823 0.074 0.000 0.679 208 V HN -0.502 7.747 8.190 0.099 0.000 0.458 209 L N -4.059 117.249 121.223 0.141 0.000 2.307 209 L HA -0.130 4.286 4.340 0.126 0.000 0.211 209 L C 0.337 177.255 176.870 0.080 0.000 1.099 209 L CA 0.875 55.810 54.840 0.159 0.000 0.816 209 L CB 0.640 42.906 42.059 0.345 0.000 0.952 209 L HN -0.025 8.316 8.230 0.185 0.000 0.455 210 G N -2.814 105.990 108.800 0.007 0.000 2.246 210 G HA2 -0.237 3.716 3.960 -0.010 0.000 0.273 210 G HA3 -0.237 3.686 3.960 -0.060 0.000 0.273 210 G C -2.292 172.559 174.900 -0.082 0.000 1.055 210 G CA -0.298 44.777 45.100 -0.042 0.000 0.851 210 G HN -0.208 8.069 8.290 0.003 0.015 0.500 211 P HA -0.006 4.496 4.420 -0.021 -0.094 0.268 211 P C -1.085 176.161 177.300 -0.089 0.000 1.208 211 P CA -0.149 62.846 63.100 -0.175 0.000 0.777 211 P CB 0.875 32.221 31.700 -0.590 0.000 0.875 212 D N -2.011 118.420 120.400 0.051 0.000 2.369 212 D HA -0.086 4.555 4.640 0.002 0.000 0.211 212 D C -0.516 175.792 176.300 0.012 0.000 1.077 212 D CA -0.092 53.938 54.000 0.051 0.000 0.842 212 D CB 1.500 42.367 40.800 0.111 0.000 0.947 212 D HN 0.377 8.837 8.370 0.151 0.000 0.509 213 E N -2.452 117.741 120.200 -0.012 0.000 2.340 213 E HA 0.540 4.798 4.350 -0.153 0.000 0.273 213 E C -2.150 174.392 176.600 -0.095 0.000 0.891 213 E CA -1.987 54.296 56.400 -0.195 0.000 0.757 213 E CB 4.403 33.656 29.700 -0.745 0.000 1.231 213 E HN -0.881 7.531 8.360 0.118 0.019 0.439 214 V N 2.736 122.602 119.914 -0.079 0.000 2.398 214 V HA 0.228 4.675 4.120 0.077 -0.280 0.282 214 V C -1.691 174.402 176.094 -0.001 0.000 1.014 214 V CA -0.671 61.629 62.300 0.000 0.000 0.838 214 V CB 0.946 32.759 31.823 -0.016 0.000 1.018 214 V HN 0.818 8.955 8.190 -0.087 0.000 0.432 215 L N 6.893 128.139 121.223 0.038 0.000 2.257 215 L HA 0.649 5.339 4.340 -0.014 -0.359 0.290 215 L C -1.390 175.465 176.870 -0.026 0.000 1.044 215 L CA -1.466 53.385 54.840 0.017 0.000 0.810 215 L CB 1.018 43.125 42.059 0.080 0.000 1.193 215 L HN 1.094 9.278 8.230 0.096 0.104 0.425 216 L N 7.022 128.192 121.223 -0.088 0.000 2.281 216 L HA 0.528 5.053 4.340 -0.243 -0.330 0.285 216 L C -1.701 175.086 176.870 -0.138 0.000 1.074 216 L CA -1.224 53.513 54.840 -0.171 0.000 0.817 216 L CB 1.397 43.353 42.059 -0.171 0.000 1.168 216 L HN 0.514 8.688 8.230 -0.092 0.000 0.434 217 V N 8.468 128.285 119.914 -0.161 0.000 2.394 217 V HA 0.472 4.906 4.120 -0.070 -0.357 0.282 217 V C -1.209 174.815 176.094 -0.118 0.000 1.031 217 V CA -0.822 61.415 62.300 -0.104 0.000 0.881 217 V CB 0.758 32.535 31.823 -0.076 0.000 0.982 217 V HN 0.829 8.888 8.190 -0.217 0.000 0.451 218 L N 5.275 126.451 121.223 -0.077 0.000 2.408 218 L HA 0.283 4.587 4.340 -0.060 0.000 0.268 218 L C -2.273 174.576 176.870 -0.034 0.000 0.986 218 L CA -1.588 53.216 54.840 -0.059 0.000 0.820 218 L CB 4.463 46.487 42.059 -0.058 0.000 1.303 218 L HN 0.681 8.872 8.230 -0.065 0.000 0.411 219 D N 2.573 122.961 120.400 -0.020 0.000 2.344 219 D HA 0.132 4.770 4.640 -0.003 0.000 0.253 219 D C 0.933 177.229 176.300 -0.007 0.000 1.255 219 D CA -0.558 53.438 54.000 -0.007 0.000 0.894 219 D CB 0.304 41.104 40.800 -0.000 0.000 1.067 219 D HN 0.427 8.786 8.370 -0.019 0.000 0.492 220 A N 8.034 130.855 122.820 0.000 0.000 2.121 220 A HA -0.222 4.088 4.320 -0.018 0.000 0.218 220 A C 1.452 179.030 177.584 -0.010 0.000 1.154 220 A CA 2.482 54.518 52.037 -0.002 0.000 0.679 220 A CB -0.024 18.996 19.000 0.033 0.000 0.795 220 A HN 0.618 8.773 8.150 0.008 0.000 0.458 221 M N -4.935 114.665 119.600 0.001 0.000 2.549 221 M HA -0.166 4.304 4.480 -0.016 0.000 0.260 221 M C 1.188 177.476 176.300 -0.020 0.000 1.076 221 M CA 2.659 57.953 55.300 -0.008 0.000 1.090 221 M CB 0.057 32.660 32.600 0.005 0.000 1.418 221 M HN -0.070 8.445 8.290 0.009 -0.220 0.486 222 T N -6.310 108.234 114.554 -0.017 0.000 3.148 222 T HA -0.041 4.300 4.350 -0.015 0.000 0.253 222 T C 0.434 175.117 174.700 -0.028 0.000 1.134 222 T CA 0.077 62.167 62.100 -0.017 0.000 1.051 222 T CB 1.015 69.880 68.868 -0.005 0.000 0.959 222 T HN -0.410 7.723 8.240 -0.015 0.098 0.525 223 G N 1.665 110.439 108.800 -0.044 0.000 2.583 223 G HA2 -0.574 3.349 3.960 -0.061 0.000 0.292 223 G HA3 -0.574 3.338 3.960 -0.079 0.000 0.292 223 G C 0.610 175.482 174.900 -0.048 0.000 1.203 223 G CA 0.973 46.037 45.100 -0.060 0.000 0.987 223 G HN -0.554 7.664 8.290 -0.046 0.044 0.554 224 Q N 2.201 121.974 119.800 -0.046 0.000 2.234 224 Q HA -0.309 4.008 4.340 -0.038 0.000 0.206 224 Q C 2.764 178.752 176.000 -0.019 0.000 0.980 224 Q CA 2.521 58.303 55.803 -0.035 0.000 0.869 224 Q CB -0.349 28.368 28.738 -0.035 0.000 0.912 224 Q HN -0.064 8.347 8.270 -0.050 -0.171 0.436 225 E N 0.179 120.370 120.200 -0.015 0.000 2.153 225 E HA -0.239 4.111 4.350 0.001 0.000 0.194 225 E C 1.745 178.350 176.600 0.009 0.000 0.988 225 E CA 3.191 59.590 56.400 -0.001 0.000 0.811 225 E CB -0.663 29.037 29.700 -0.001 0.000 0.746 225 E HN -0.531 7.727 8.360 -0.020 0.089 0.466 226 A N -0.620 122.199 122.820 -0.001 0.000 1.969 226 A HA -0.231 4.098 4.320 0.015 0.000 0.218 226 A C 1.821 179.410 177.584 0.008 0.000 1.169 226 A CA 3.185 55.224 52.037 0.003 0.000 0.635 226 A CB -0.614 18.376 19.000 -0.017 0.000 0.810 226 A HN -0.224 7.692 8.150 -0.012 0.226 0.445 227 L N -4.321 116.902 121.223 -0.001 0.000 2.093 227 L HA -0.409 3.932 4.340 0.002 0.000 0.208 227 L C 1.965 178.847 176.870 0.020 0.000 1.085 227 L CA 3.000 57.842 54.840 0.004 0.000 0.755 227 L CB -0.638 41.417 42.059 -0.007 0.000 0.904 227 L HN -0.159 7.854 8.230 -0.009 0.212 0.435 228 S N 0.428 116.140 115.700 0.020 0.000 2.356 228 S HA -0.282 4.200 4.470 0.021 0.000 0.223 228 S C 2.218 176.850 174.600 0.054 0.000 1.032 228 S CA 3.350 61.566 58.200 0.027 0.000 1.005 228 S CB -0.695 62.515 63.200 0.017 0.000 0.867 228 S HN -0.291 7.914 8.310 0.013 0.113 0.449 229 V N 2.758 122.720 119.914 0.081 0.000 2.324 229 V HA -0.479 3.741 4.120 0.166 0.000 0.250 229 V C 1.415 177.652 176.094 0.239 0.000 1.060 229 V CA 3.895 66.297 62.300 0.171 0.000 1.042 229 V CB -0.888 31.042 31.823 0.178 0.000 0.650 229 V HN 0.378 8.504 8.190 0.064 0.103 0.450 230 A N -1.251 121.650 122.820 0.134 0.000 1.883 230 A HA -0.356 4.043 4.320 0.131 0.000 0.217 230 A C 1.934 179.586 177.584 0.113 0.000 1.186 230 A CA 3.331 55.434 52.037 0.110 0.000 0.624 230 A CB -0.827 18.194 19.000 0.034 0.000 0.822 230 A HN -0.015 8.186 8.150 0.087 0.002 0.444 231 R N -1.199 119.344 120.500 0.071 0.000 2.081 231 R HA -0.341 4.024 4.340 0.041 0.000 0.235 231 R C 1.996 178.323 176.300 0.046 0.000 1.131 231 R CA 3.148 59.276 56.100 0.047 0.000 0.960 231 R CB -0.009 30.306 30.300 0.025 0.000 0.856 231 R HN -0.374 7.839 8.270 0.059 0.093 0.436 232 A N -0.107 122.737 122.820 0.041 0.000 1.877 232 A HA -0.213 4.081 4.320 -0.044 0.000 0.216 232 A C 1.870 179.423 177.584 -0.052 0.000 1.186 232 A CA 2.906 54.922 52.037 -0.035 0.000 0.620 232 A CB -0.649 18.292 19.000 -0.098 0.000 0.822 232 A HN -0.188 7.922 8.150 0.056 0.073 0.443 233 F N -2.224 117.728 119.950 0.004 0.000 2.171 233 F HA -0.277 4.260 4.527 0.017 0.000 0.300 233 F C 2.111 177.915 175.800 0.007 0.000 1.090 233 F CA 3.989 61.996 58.000 0.011 0.000 1.293 233 F CB -0.145 38.863 39.000 0.014 0.000 1.013 233 F HN 0.092 8.556 8.300 0.274 0.000 0.486 234 D N -1.277 119.221 120.400 0.163 0.000 2.103 234 D HA -0.204 4.490 4.640 0.090 0.000 0.199 234 D C 2.737 179.065 176.300 0.046 0.000 0.978 234 D CA 3.160 57.212 54.000 0.085 0.000 0.829 234 D CB -0.104 40.727 40.800 0.052 0.000 0.981 234 D HN -0.199 8.149 8.370 0.160 0.117 0.464 235 E N -0.431 119.785 120.200 0.028 0.000 2.065 235 E HA -0.336 4.017 4.350 0.006 0.000 0.201 235 E C 2.155 178.756 176.600 0.003 0.000 1.016 235 E CA 2.796 59.200 56.400 0.007 0.000 0.818 235 E CB 0.152 29.848 29.700 -0.007 0.000 0.749 235 E HN 0.074 8.276 8.360 0.030 0.177 0.453 236 K N -5.916 114.481 120.400 -0.005 0.000 2.323 236 K HA -0.060 4.250 4.320 -0.017 0.000 0.197 236 K C 0.855 177.462 176.600 0.012 0.000 1.043 236 K CA 2.127 58.403 56.287 -0.018 0.000 0.997 236 K CB 1.331 33.788 32.500 -0.072 0.000 0.807 236 K HN -0.270 7.958 8.250 -0.006 0.018 0.497 237 V N -5.328 114.616 119.914 0.051 0.000 3.058 237 V HA 0.075 4.239 4.120 0.074 0.000 0.233 237 V C -0.098 176.035 176.094 0.065 0.000 1.255 237 V CA -0.090 62.262 62.300 0.088 0.000 1.267 237 V CB 3.051 34.982 31.823 0.181 0.000 1.049 237 V HN -0.354 7.872 8.190 0.061 0.000 0.486 238 G N -0.334 108.506 108.800 0.068 0.000 3.434 238 G HA2 -0.268 3.700 3.960 0.014 0.000 0.686 238 G HA3 -0.268 4.238 3.960 0.028 -0.530 0.686 238 G C -1.375 173.544 174.900 0.033 0.000 1.099 238 G CA -0.475 44.645 45.100 0.033 0.000 0.931 238 G HN -0.217 8.126 8.290 0.089 0.000 0.520 239 V N 4.456 124.382 119.914 0.019 0.000 2.994 239 V HA 0.144 4.264 4.120 0.001 0.000 0.318 239 V C -0.976 175.091 176.094 -0.045 0.000 1.085 239 V CA -1.791 60.506 62.300 -0.006 0.000 0.998 239 V CB 2.853 34.674 31.823 -0.004 0.000 1.063 239 V HN 0.419 9.289 8.190 0.016 -0.670 0.447 240 T N -2.902 111.608 114.554 -0.074 0.000 2.954 240 T HA 0.104 4.404 4.350 -0.085 0.000 0.252 240 T C -0.413 174.158 174.700 -0.216 0.000 0.983 240 T CA -0.253 61.789 62.100 -0.098 0.000 0.941 240 T CB 2.706 71.540 68.868 -0.058 0.000 1.141 240 T HN 0.688 8.884 8.240 -0.074 0.000 0.500 241 G N 0.514 109.145 108.800 -0.282 0.000 2.576 241 G HA2 0.431 3.769 3.960 -1.038 0.000 0.290 241 G HA3 0.431 4.237 3.960 -0.587 -0.198 0.290 241 G C -3.382 171.313 174.900 -0.342 0.000 1.442 241 G CA 0.533 45.285 45.100 -0.580 0.000 0.792 241 G HN -0.775 7.401 8.290 -0.191 0.000 0.491 242 L N -1.573 119.440 121.223 -0.349 0.000 2.334 242 L HA 0.941 5.593 4.340 -0.145 -0.399 0.273 242 L C -1.008 175.808 176.870 -0.091 0.000 1.013 242 L CA -1.597 53.134 54.840 -0.182 0.000 0.816 242 L CB 3.497 45.452 42.059 -0.173 0.000 1.278 242 L HN 0.563 8.515 8.230 -0.463 0.000 0.431 243 V N 2.268 122.161 119.914 -0.035 0.000 2.378 243 V HA 0.440 4.941 4.120 0.073 -0.338 0.288 243 V C -1.455 174.620 176.094 -0.032 0.000 1.016 243 V CA -1.602 60.715 62.300 0.027 0.000 0.840 243 V CB 1.334 33.196 31.823 0.064 0.000 0.994 243 V HN 0.947 9.002 8.190 -0.053 0.103 0.431 244 L N 8.847 130.034 121.223 -0.061 0.000 2.265 244 L HA 0.689 5.168 4.340 -0.057 -0.174 0.289 244 L C -0.296 176.563 176.870 -0.019 0.000 1.033 244 L CA -1.348 53.452 54.840 -0.067 0.000 0.814 244 L CB 0.932 42.913 42.059 -0.130 0.000 1.203 244 L HN 0.124 8.309 8.230 -0.075 0.000 0.423 245 T N 0.087 114.640 114.554 -0.002 0.000 2.936 245 T HA 0.528 5.013 4.350 0.026 -0.119 0.282 245 T C 0.609 175.326 174.700 0.029 0.000 1.003 245 T CA -2.612 59.498 62.100 0.017 0.000 1.005 245 T CB 2.806 71.681 68.868 0.011 0.000 1.097 245 T HN 0.686 8.920 8.240 -0.010 0.000 0.532 246 K N -2.780 117.643 120.400 0.037 0.000 3.129 246 K HA -0.421 4.246 4.320 0.043 -0.322 0.273 246 K C 1.190 177.832 176.600 0.071 0.000 1.123 246 K CA 1.455 57.769 56.287 0.044 0.000 0.800 246 K CB -2.583 29.937 32.500 0.033 0.000 1.238 246 K HN 0.264 8.536 8.250 0.036 0.000 0.492 247 L N -2.772 118.502 121.223 0.085 0.000 2.261 247 L HA -0.280 4.187 4.340 0.212 0.000 0.216 247 L C 0.169 177.122 176.870 0.139 0.000 1.114 247 L CA 2.849 57.776 54.840 0.144 0.000 0.777 247 L CB -0.448 41.668 42.059 0.095 0.000 0.910 247 L HN 0.184 8.433 8.230 0.069 0.023 0.440 248 D N -5.886 114.565 120.400 0.085 0.000 2.347 248 D HA -0.132 4.552 4.640 0.072 0.000 0.215 248 D C 0.403 176.746 176.300 0.072 0.000 0.976 248 D CA 0.391 54.433 54.000 0.070 0.000 0.884 248 D CB 0.232 41.060 40.800 0.047 0.000 0.915 248 D HN -0.632 7.739 8.370 0.070 0.041 0.526 249 G N -0.504 108.338 108.800 0.071 0.000 2.348 249 G HA2 -0.053 3.933 3.960 0.043 0.000 0.312 249 G HA3 -0.053 3.934 3.960 0.046 0.000 0.312 249 G C -0.768 174.162 174.900 0.051 0.000 1.126 249 G CA -1.153 43.978 45.100 0.052 0.000 0.865 249 G HN -0.642 7.651 8.290 0.077 0.044 0.474 250 D N 3.029 123.453 120.400 0.039 0.000 6.363 250 D HA -0.421 4.239 4.640 0.032 0.000 0.146 250 D C -1.464 174.850 176.300 0.022 0.000 1.113 250 D CA 1.744 55.761 54.000 0.029 0.000 0.737 250 D CB 0.057 40.867 40.800 0.016 0.000 1.417 250 D HN 0.230 8.621 8.370 0.036 0.000 0.812 251 A N 1.999 124.829 122.820 0.017 0.000 2.588 251 A HA 0.204 4.506 4.320 -0.030 0.000 0.309 251 A C -2.163 175.373 177.584 -0.082 0.000 1.173 251 A CA -0.289 51.737 52.037 -0.018 0.000 0.631 251 A CB 2.927 21.941 19.000 0.023 0.000 1.364 251 A HN -0.305 7.859 8.150 0.023 0.000 0.526 252 R N -2.548 117.831 120.500 -0.202 0.000 2.650 252 R HA 0.282 4.491 4.340 -0.217 0.000 0.212 252 R C 0.627 176.559 176.300 -0.614 0.000 0.904 252 R CA 0.056 55.983 56.100 -0.287 0.000 1.021 252 R CB 3.006 33.187 30.300 -0.198 0.000 1.519 252 R HN 0.032 8.166 8.270 -0.226 0.000 0.639 253 G N -1.911 106.355 108.800 -0.890 0.000 2.232 253 G HA2 -0.309 2.507 3.960 -1.906 0.000 0.226 253 G HA3 -0.309 2.431 3.960 -2.032 0.000 0.226 253 G C 0.983 175.542 174.900 -0.568 0.000 0.996 253 G CA 0.545 44.759 45.100 -1.476 0.000 0.626 253 G HN -0.451 7.452 8.290 -0.645 0.000 0.509 254 G N 1.626 110.209 108.800 -0.361 0.000 2.505 254 G HA2 -0.455 3.533 3.960 -0.180 0.000 0.220 254 G HA3 -0.455 3.385 3.960 -0.199 0.000 0.220 254 G C 0.196 175.013 174.900 -0.139 0.000 1.145 254 G CA 2.455 47.430 45.100 -0.208 0.000 0.761 254 G HN 0.325 8.338 8.290 -0.358 0.062 0.571 255 A N 1.107 123.851 122.820 -0.125 0.000 1.898 255 A HA -0.222 4.059 4.320 -0.065 0.000 0.216 255 A C 1.631 179.186 177.584 -0.048 0.000 1.181 255 A CA 2.548 54.541 52.037 -0.074 0.000 0.620 255 A CB -0.721 18.241 19.000 -0.064 0.000 0.819 255 A HN -0.280 7.781 8.150 -0.149 0.000 0.442 256 A N -1.135 121.669 122.820 -0.026 0.000 1.898 256 A HA -0.283 4.022 4.320 -0.024 0.000 0.216 256 A C 1.880 179.507 177.584 0.071 0.000 1.181 256 A CA 2.627 54.688 52.037 0.039 0.000 0.620 256 A CB -0.542 18.595 19.000 0.229 0.000 0.819 256 A HN -0.490 7.630 8.150 -0.050 0.000 0.442 257 L N -4.902 116.353 121.223 0.053 0.000 2.376 257 L HA -0.155 4.260 4.340 0.126 0.000 0.219 257 L C 1.398 178.288 176.870 0.034 0.000 1.133 257 L CA 2.077 56.954 54.840 0.061 0.000 0.816 257 L CB -1.373 40.680 42.059 -0.010 0.000 0.933 257 L HN 0.545 8.775 8.230 -0.001 0.000 0.449 258 S N -2.160 113.539 115.700 -0.003 0.000 2.502 258 S HA 0.096 4.560 4.470 -0.010 0.000 0.215 258 S C 1.308 175.930 174.600 0.036 0.000 1.009 258 S CA 1.432 59.628 58.200 -0.007 0.000 0.908 258 S CB 0.797 63.967 63.200 -0.049 0.000 0.801 258 S HN 0.165 8.106 8.310 -0.019 0.358 0.505 259 A N 2.871 125.703 122.820 0.020 0.000 1.883 259 A HA -0.418 3.901 4.320 -0.002 0.000 0.217 259 A C 1.208 178.807 177.584 0.026 0.000 1.186 259 A CA 3.959 55.998 52.037 0.004 0.000 0.624 259 A CB -0.700 18.278 19.000 -0.036 0.000 0.822 259 A HN 0.533 8.637 8.150 0.014 0.053 0.444 260 R N -2.011 118.518 120.500 0.049 0.000 2.073 260 R HA -0.363 3.984 4.340 0.012 0.000 0.234 260 R C 2.279 178.623 176.300 0.074 0.000 1.134 260 R CA 3.431 59.558 56.100 0.046 0.000 0.952 260 R CB -0.239 30.096 30.300 0.058 0.000 0.850 260 R HN -0.148 8.158 8.270 0.060 0.000 0.433 261 H N -0.840 118.236 119.070 0.009 0.000 2.353 261 H HA -0.192 4.370 4.556 0.010 0.000 0.300 261 H C 1.928 177.256 175.328 0.000 0.000 1.090 261 H CA 3.505 59.559 56.048 0.010 0.000 1.327 261 H CB -0.042 29.735 29.762 0.025 0.000 1.383 261 H HN -0.536 7.878 8.280 0.222 0.000 0.508 262 V N -3.228 116.806 119.914 0.200 0.000 2.500 262 V HA -0.145 4.076 4.120 0.169 0.000 0.243 262 V C 1.502 177.626 176.094 0.051 0.000 1.039 262 V CA 2.666 65.043 62.300 0.128 0.000 1.053 262 V CB 0.240 32.111 31.823 0.080 0.000 0.695 262 V HN 0.131 8.421 8.190 0.167 0.000 0.463 263 T N -4.411 110.158 114.554 0.025 0.000 3.037 263 T HA -0.038 4.313 4.350 0.001 0.000 0.252 263 T C 1.328 176.016 174.700 -0.020 0.000 1.073 263 T CA 0.005 62.103 62.100 -0.003 0.000 1.091 263 T CB 1.462 70.317 68.868 -0.022 0.000 0.935 263 T HN 0.107 8.241 8.240 0.028 0.122 0.488 264 G N 2.403 111.191 108.800 -0.021 0.000 2.180 264 G HA2 -0.397 3.541 3.960 -0.037 0.000 0.263 264 G HA3 -0.397 3.688 3.960 -0.034 -0.146 0.263 264 G C -0.593 174.273 174.900 -0.056 0.000 0.989 264 G CA 1.097 46.175 45.100 -0.036 0.000 0.692 264 G HN -0.428 7.753 8.290 -0.008 0.105 0.526 265 K N 0.268 120.625 120.400 -0.073 0.000 2.206 265 K HA 0.548 4.785 4.320 -0.138 0.000 0.264 265 K C -2.289 174.212 176.600 -0.164 0.000 0.967 265 K CA -3.758 52.451 56.287 -0.130 0.000 0.844 265 K CB 0.286 32.703 32.500 -0.138 0.000 1.099 265 K HN -0.255 7.834 8.250 -0.060 0.125 0.441 266 P HA 0.109 4.456 4.420 -0.120 0.000 0.275 266 P C -1.268 175.836 177.300 -0.327 0.000 1.228 266 P CA -0.493 62.468 63.100 -0.232 0.000 0.786 266 P CB 0.898 32.452 31.700 -0.243 0.000 0.927 267 I N 1.169 121.634 120.570 -0.174 0.000 2.308 267 I HA -0.102 4.192 4.170 -0.243 -0.270 0.293 267 I C -0.044 176.061 176.117 -0.020 0.000 1.078 267 I CA 0.462 61.641 61.300 -0.202 0.000 1.292 267 I CB -0.779 36.977 38.000 -0.406 0.000 1.423 267 I HN 0.017 8.180 8.210 -0.079 0.000 0.493 268 Y N 4.724 125.004 120.300 -0.033 0.000 2.201 268 Y HA 0.080 4.700 4.550 -0.118 -0.141 0.292 268 Y C 0.111 175.889 175.900 -0.202 0.000 1.119 268 Y CA -0.131 57.924 58.100 -0.074 0.000 1.127 268 Y CB 1.296 39.783 38.460 0.045 0.000 1.019 268 Y HN 0.553 8.706 8.280 -0.035 0.105 0.514 269 F N -4.874 115.172 119.950 0.159 0.000 2.546 269 F HA 0.592 5.441 4.527 0.100 -0.263 0.320 269 F C -1.699 174.113 175.800 0.020 0.000 1.076 269 F CA -1.665 56.383 58.000 0.080 0.000 0.928 269 F CB 4.804 43.822 39.000 0.030 0.000 1.189 269 F HN -0.871 7.663 8.300 0.390 0.000 0.465 270 A N 0.184 123.150 122.820 0.243 0.000 2.350 270 A HA 1.030 5.540 4.320 0.044 -0.164 0.324 270 A C -1.670 175.996 177.584 0.136 0.000 1.118 270 A CA -2.573 49.544 52.037 0.135 0.000 0.783 270 A CB 3.421 22.543 19.000 0.202 0.000 1.236 270 A HN 0.923 9.242 8.150 0.281 0.000 0.457 271 G N -1.182 107.666 108.800 0.081 0.000 2.370 271 G HA2 0.614 4.606 3.960 0.054 0.000 0.317 271 G HA3 0.614 4.981 3.960 0.076 -0.361 0.317 271 G C -1.629 173.307 174.900 0.060 0.000 1.162 271 G CA -0.773 44.368 45.100 0.068 0.000 0.922 271 G HN 0.438 8.762 8.290 0.056 0.000 0.454 272 V N -1.606 118.343 119.914 0.059 0.000 3.432 272 V HA 0.543 4.857 4.120 0.048 -0.165 0.298 272 V C -1.711 174.407 176.094 0.041 0.000 1.464 272 V CA -2.060 60.269 62.300 0.048 0.000 1.046 272 V CB 1.678 33.527 31.823 0.043 0.000 0.887 272 V HN 0.482 8.709 8.190 0.062 0.000 0.441 273 S N -3.030 112.694 115.700 0.040 0.000 2.661 273 S HA 0.247 4.927 4.470 0.031 -0.191 0.268 273 S C -0.018 174.600 174.600 0.030 0.000 1.162 273 S CA -0.911 57.309 58.200 0.033 0.000 0.817 273 S CB 1.771 64.990 63.200 0.031 0.000 1.141 273 S HN -0.912 7.423 8.310 0.043 0.000 0.477 274 E N -0.549 119.667 120.200 0.026 0.000 2.447 274 E HA 0.043 4.407 4.350 0.022 0.000 0.195 274 E C 0.676 177.289 176.600 0.022 0.000 1.028 274 E CA 0.716 57.129 56.400 0.022 0.000 0.876 274 E CB -0.061 29.651 29.700 0.019 0.000 0.885 274 E HN 0.344 8.719 8.360 0.025 0.000 0.500 275 K N 0.825 121.240 120.400 0.025 0.000 2.180 275 K HA 0.141 4.475 4.320 0.023 0.000 0.251 275 K C -0.776 175.842 176.600 0.030 0.000 1.014 275 K CA -1.270 55.032 56.287 0.026 0.000 0.913 275 K CB -0.333 32.183 32.500 0.026 0.000 1.008 275 K HN 0.216 8.436 8.250 0.026 0.046 0.490 276 P HA -0.301 4.139 4.420 0.033 0.000 0.216 276 P C -0.390 176.940 177.300 0.050 0.000 1.153 276 P CA 2.936 66.058 63.100 0.036 0.000 0.858 276 P CB 0.069 31.790 31.700 0.034 0.000 0.789 277 E N -4.966 115.265 120.200 0.052 0.000 2.502 277 E HA -0.144 4.258 4.350 0.086 0.000 0.194 277 E C 1.680 178.320 176.600 0.066 0.000 1.062 277 E CA 0.342 56.783 56.400 0.068 0.000 0.867 277 E CB -1.967 27.769 29.700 0.061 0.000 0.888 277 E HN 0.249 8.623 8.360 0.044 0.012 0.510 278 G N 0.832 109.665 108.800 0.054 0.000 2.509 278 G HA2 -0.227 3.912 3.960 0.046 0.000 0.218 278 G HA3 -0.227 3.764 3.960 0.052 0.000 0.218 278 G C -1.317 173.624 174.900 0.067 0.000 1.124 278 G CA 0.760 45.892 45.100 0.053 0.000 0.776 278 G HN 1.018 9.143 8.290 0.047 0.194 0.547 279 L N 1.007 122.273 121.223 0.071 0.000 2.349 279 L HA 0.398 5.146 4.340 0.108 -0.342 0.275 279 L C -1.804 175.143 176.870 0.129 0.000 1.115 279 L CA -0.305 54.591 54.840 0.093 0.000 0.820 279 L CB 1.784 43.860 42.059 0.029 0.000 1.135 279 L HN -0.864 7.261 8.230 0.064 0.143 0.445 280 E N 3.887 124.201 120.200 0.191 0.000 2.331 280 E HA 0.498 4.910 4.350 0.103 0.000 0.275 280 E C -2.776 173.882 176.600 0.097 0.000 0.895 280 E CA -3.673 52.815 56.400 0.146 0.000 0.753 280 E CB 1.123 30.900 29.700 0.127 0.000 1.216 280 E HN 0.484 8.980 8.360 0.228 0.000 0.434 281 P HA -0.006 3.956 4.420 -1.220 -0.275 0.265 281 P C -1.414 175.836 177.300 -0.084 0.000 1.187 281 P CA 0.438 63.212 63.100 -0.544 0.000 0.766 281 P CB 0.221 31.697 31.700 -0.374 0.000 0.820 282 F N 4.805 124.579 119.950 -0.294 0.000 2.420 282 F HA 0.079 4.607 4.527 0.002 0.000 0.352 282 F C -2.042 173.654 175.800 -0.173 0.000 1.108 282 F CA -1.003 56.933 58.000 -0.108 0.000 1.162 282 F CB 2.375 41.324 39.000 -0.087 0.000 1.118 282 F HN 0.040 8.143 8.300 -0.165 0.098 0.510 283 Y N 6.779 126.621 120.300 -0.763 0.000 2.388 283 Y HA 0.341 4.607 4.550 -0.510 -0.022 0.328 283 Y C -1.517 173.805 175.900 -0.964 0.000 0.963 283 Y CA -2.669 55.033 58.100 -0.664 0.000 1.240 283 Y CB 0.336 38.599 38.460 -0.328 0.000 1.118 283 Y HN 0.011 8.064 8.280 -0.378 0.000 0.484 284 P HA -0.388 3.712 4.420 -0.533 0.000 0.216 284 P C 0.665 177.841 177.300 -0.206 0.000 1.157 284 P CA 2.887 65.713 63.100 -0.456 0.000 0.880 284 P CB 0.157 31.741 31.700 -0.194 0.000 0.791 285 E N -3.429 116.698 120.200 -0.122 0.000 2.110 285 E HA -0.334 3.944 4.350 -0.121 0.000 0.193 285 E C 2.139 178.788 176.600 0.083 0.000 0.988 285 E CA 2.746 59.128 56.400 -0.030 0.000 0.804 285 E CB -1.691 28.031 29.700 0.036 0.000 0.745 285 E HN 0.283 8.566 8.360 -0.115 0.008 0.458 286 R N -0.512 120.000 120.500 0.020 0.000 2.066 286 R HA -0.237 4.124 4.340 0.036 0.000 0.232 286 R C 2.943 179.247 176.300 0.007 0.000 1.131 286 R CA 3.211 59.313 56.100 0.004 0.000 0.955 286 R CB -0.155 30.101 30.300 -0.074 0.000 0.851 286 R HN 0.153 8.425 8.270 0.002 0.000 0.432 287 L N -0.191 121.001 121.223 -0.052 0.000 2.046 287 L HA -0.328 3.983 4.340 -0.048 0.000 0.208 287 L C 1.208 178.105 176.870 0.045 0.000 1.077 287 L CA 2.502 57.323 54.840 -0.032 0.000 0.747 287 L CB -0.512 41.539 42.059 -0.015 0.000 0.896 287 L HN -0.140 8.033 8.230 -0.124 -0.018 0.432 288 A N -1.210 121.658 122.820 0.081 0.000 1.917 288 A HA -0.485 3.927 4.320 0.152 0.000 0.219 288 A C 1.648 179.417 177.584 0.309 0.000 1.182 288 A CA 3.286 55.418 52.037 0.158 0.000 0.633 288 A CB -0.834 18.144 19.000 -0.037 0.000 0.819 288 A HN 0.478 8.579 8.150 0.032 0.068 0.448 289 G N -3.636 105.375 108.800 0.353 0.000 2.402 289 G HA2 -0.306 3.736 3.960 0.137 0.000 0.216 289 G HA3 -0.306 3.766 3.960 0.187 0.000 0.216 289 G C 1.299 176.249 174.900 0.083 0.000 1.162 289 G CA 1.498 46.720 45.100 0.204 0.000 0.777 289 G HN 0.073 8.569 8.290 0.349 0.003 0.539 290 R N 1.261 121.795 120.500 0.056 0.000 2.148 290 R HA -0.100 4.389 4.340 0.010 -0.143 0.223 290 R C 2.993 179.313 176.300 0.034 0.000 1.088 290 R CA 2.486 58.596 56.100 0.017 0.000 0.985 290 R CB -0.001 30.288 30.300 -0.020 0.000 0.880 290 R HN -0.454 7.845 8.270 0.057 0.005 0.451 291 I N 1.185 121.794 120.570 0.066 0.000 2.361 291 I HA -0.367 3.865 4.170 0.103 0.000 0.251 291 I C 1.252 177.431 176.117 0.104 0.000 1.133 291 I CA 3.881 65.246 61.300 0.108 0.000 1.413 291 I CB 0.245 38.347 38.000 0.170 0.000 1.073 291 I HN 0.025 8.278 8.210 0.071 0.000 0.424 292 L N -6.298 114.988 121.223 0.105 0.000 2.611 292 L HA -0.055 4.337 4.340 0.086 0.000 0.229 292 L C 0.267 177.161 176.870 0.041 0.000 1.137 292 L CA -0.285 54.606 54.840 0.085 0.000 0.901 292 L CB -0.301 41.825 42.059 0.112 0.000 1.098 292 L HN -0.734 7.449 8.230 0.119 0.118 0.456 293 G N -1.762 107.057 108.800 0.032 0.000 2.148 293 G HA2 -0.387 3.581 3.960 0.013 0.000 0.254 293 G HA3 -0.387 3.581 3.960 0.014 0.000 0.254 293 G C -0.508 174.387 174.900 -0.009 0.000 0.981 293 G CA 0.305 45.412 45.100 0.012 0.000 0.670 293 G HN -0.147 7.867 8.290 0.039 0.299 0.528 294 M N 1.013 120.599 119.600 -0.023 0.000 2.318 294 M HA 0.134 4.583 4.480 -0.052 0.000 0.347 294 M C -0.263 176.008 176.300 -0.049 0.000 1.175 294 M CA 0.387 55.654 55.300 -0.055 0.000 1.075 294 M CB 1.247 33.778 32.600 -0.114 0.000 1.614 294 M HN -0.533 7.715 8.290 -0.013 0.034 0.456 295 G N 1.982 110.750 108.800 -0.052 0.000 2.512 295 G HA2 -0.400 3.530 3.960 -0.049 0.000 0.240 295 G HA3 -0.400 3.531 3.960 -0.049 0.000 0.240 295 G C -1.459 173.421 174.900 -0.034 0.000 1.246 295 G CA -0.230 44.842 45.100 -0.047 0.000 0.919 295 G HN 0.248 8.505 8.290 -0.054 0.000 0.577 296 D N 3.098 123.478 120.400 -0.033 0.000 2.372 296 D HA 0.266 4.891 4.640 -0.025 0.000 0.243 296 D C 0.260 176.548 176.300 -0.021 0.000 1.121 296 D CA 0.547 54.530 54.000 -0.027 0.000 0.898 296 D CB 0.495 41.276 40.800 -0.031 0.000 1.202 296 D HN -0.023 8.324 8.370 -0.038 0.000 0.428 297 V N 0.000 119.905 119.914 -0.015 0.000 2.409 297 V HA 0.000 4.114 4.120 -0.009 0.000 0.244 297 V CA 0.000 62.294 62.300 -0.009 0.000 1.235 297 V CB 0.000 31.820 31.823 -0.006 0.000 1.184 297 V HN 0.000 8.181 8.190 -0.015 0.000 0.556