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 3kgn_1_A DATA FIRST_RESID 31 DATA SEQUENCE DDFAKLEEQF DAKLGIFALD TGTNRTVXAY RPDERFAFAS TIKALTVGVL DATA SEQUENCE LQQXXKSIED LNQRITYTRD DLVNYNPITE KHVDTGMTLK ELADASLRYS DATA SEQUENCE DNAAQNLILK QIGGPESLKK ELRKIGDEVT NPERFCPXXN EVNPGETQDT DATA SEQUENCE STARALVTSL RAFALEDKLP SEKRELLIDW MKRNTTGDAL IRAGVPDGWE DATA SEQUENCE VADKTGAAXS YGTRNDIAII WPXPKGDPVV LAVLSSRDKK DAKYDDKLIA DATA SEQUENCE EATKVVMKAL N 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 31 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 31 D C 0.000 176.242 176.300 -0.096 0.000 2.045 31 D CA 0.000 53.992 54.000 -0.014 0.000 0.868 31 D CB 0.000 40.837 40.800 0.063 0.000 0.688 32 D N 1.213 121.484 120.400 -0.214 0.000 2.149 32 D HA -0.099 4.543 4.640 0.004 0.000 0.198 32 D C 1.688 177.786 176.300 -0.336 0.000 0.990 32 D CA 1.276 55.097 54.000 -0.297 0.000 0.839 32 D CB -0.039 40.516 40.800 -0.409 0.000 0.948 32 D HN 0.336 8.706 8.370 -0.000 0.000 0.460 33 F N 1.421 121.196 119.950 -0.292 0.000 2.146 33 F HA -0.061 4.469 4.527 0.004 0.000 0.298 33 F C 2.563 178.097 175.800 -0.443 0.000 1.096 33 F CA 0.704 58.383 58.000 -0.537 0.000 1.275 33 F CB -0.919 37.342 39.000 -1.232 0.000 1.008 33 F HN -0.094 8.206 8.300 -0.000 0.000 0.480 34 A N -0.246 122.500 122.820 -0.124 0.000 1.930 34 A HA -0.216 4.107 4.320 0.004 0.000 0.217 34 A C 2.245 179.875 177.584 0.076 0.000 1.175 34 A CA 1.699 53.793 52.037 0.094 0.000 0.627 34 A CB -0.768 18.340 19.000 0.180 0.000 0.815 34 A HN 0.329 8.479 8.150 -0.000 0.000 0.443 35 K N -0.324 120.091 120.400 0.025 0.000 2.074 35 K HA -0.145 4.178 4.320 0.004 0.000 0.209 35 K C 1.766 178.409 176.600 0.073 0.000 1.048 35 K CA 1.754 58.057 56.287 0.026 0.000 0.926 35 K CB -0.329 32.161 32.500 -0.017 0.000 0.713 35 K HN 0.517 8.767 8.250 -0.000 0.000 0.444 36 L N 0.231 121.513 121.223 0.098 0.000 2.109 36 L HA -0.108 4.234 4.340 0.004 0.000 0.207 36 L C 2.207 179.252 176.870 0.291 0.000 1.086 36 L CA 1.045 56.026 54.840 0.237 0.000 0.760 36 L CB -0.365 41.809 42.059 0.191 0.000 0.910 36 L HN 0.222 8.452 8.230 -0.000 0.000 0.437 37 E N 0.248 120.569 120.200 0.200 0.000 2.097 37 E HA -0.288 4.064 4.350 0.004 0.000 0.196 37 E C 2.056 178.767 176.600 0.185 0.000 1.000 37 E CA 1.453 57.981 56.400 0.213 0.000 0.804 37 E CB -0.047 29.785 29.700 0.219 0.000 0.740 37 E HN 0.458 8.818 8.360 -0.000 0.000 0.454 38 E N 0.693 120.975 120.200 0.136 0.000 2.023 38 E HA -0.244 4.109 4.350 0.004 0.000 0.196 38 E C 2.202 178.832 176.600 0.051 0.000 1.003 38 E CA 1.292 57.741 56.400 0.082 0.000 0.809 38 E CB 0.053 29.787 29.700 0.056 0.000 0.755 38 E HN 0.270 8.630 8.360 -0.000 0.000 0.449 39 Q N -1.042 118.778 119.800 0.034 0.000 2.170 39 Q HA -0.146 4.197 4.340 0.004 0.000 0.203 39 Q C 1.395 177.218 176.000 -0.295 0.000 0.976 39 Q CA 1.208 56.923 55.803 -0.146 0.000 0.858 39 Q CB 0.038 28.660 28.738 -0.192 0.000 0.907 39 Q HN 0.308 8.578 8.270 -0.000 0.000 0.433 40 F N -0.304 119.673 119.950 0.045 0.000 2.682 40 F HA 0.137 4.665 4.527 0.002 0.000 0.308 40 F C -0.100 175.738 175.800 0.063 0.000 1.093 40 F CA -0.457 57.575 58.000 0.053 0.000 1.244 40 F CB 0.634 39.671 39.000 0.062 0.000 1.052 40 F HN -0.098 8.202 8.300 -0.000 0.000 0.573 41 D N 1.696 122.204 120.400 0.180 0.000 2.802 41 D HA -0.132 4.510 4.640 0.004 0.000 0.229 41 D C -0.329 176.076 176.300 0.174 0.000 1.203 41 D CA 0.827 54.914 54.000 0.144 0.000 0.712 41 D CB -0.571 40.290 40.800 0.101 0.000 0.973 41 D HN 0.402 8.772 8.370 -0.000 0.000 0.407 42 A N 1.327 124.266 122.820 0.199 0.000 2.602 42 A HA 0.681 5.003 4.320 0.004 0.000 0.290 42 A C -0.725 176.984 177.584 0.208 0.000 1.114 42 A CA -0.809 51.347 52.037 0.200 0.000 0.683 42 A CB 1.388 20.511 19.000 0.205 0.000 1.281 42 A HN 0.202 8.352 8.150 -0.000 0.000 0.416 43 K N 0.395 120.934 120.400 0.232 0.000 2.156 43 K HA 0.621 4.943 4.320 0.004 0.000 0.271 43 K C -1.602 175.211 176.600 0.355 0.000 0.995 43 K CA -0.485 55.975 56.287 0.289 0.000 0.890 43 K CB 0.906 33.549 32.500 0.238 0.000 1.073 43 K HN 0.503 8.753 8.250 -0.000 0.000 0.454 44 L N 2.819 124.252 121.223 0.349 0.000 2.329 44 L HA 0.582 4.924 4.340 0.004 0.000 0.279 44 L C -0.490 176.537 176.870 0.261 0.000 1.014 44 L CA 0.023 54.990 54.840 0.211 0.000 0.814 44 L CB 1.851 44.014 42.059 0.173 0.000 1.257 44 L HN 0.749 8.979 8.230 -0.000 0.000 0.424 45 G N 5.887 114.629 108.800 -0.096 0.000 2.644 45 G HA2 0.631 4.594 3.960 0.004 0.000 0.300 45 G HA3 0.631 4.594 3.960 0.004 0.000 0.300 45 G C -1.290 173.518 174.900 -0.153 0.000 1.395 45 G CA -0.241 44.819 45.100 -0.068 0.000 0.964 45 G HN 0.331 8.621 8.290 -0.000 0.000 0.511 46 I N 2.346 122.864 120.570 -0.086 0.000 2.498 46 I HA 0.553 4.725 4.170 0.004 0.000 0.290 46 I C -1.365 174.775 176.117 0.037 0.000 1.032 46 I CA -1.130 60.084 61.300 -0.144 0.000 1.073 46 I CB 1.731 39.437 38.000 -0.490 0.000 1.251 46 I HN 0.419 8.629 8.210 -0.000 0.000 0.426 47 F N 5.195 125.084 119.950 -0.102 0.000 2.573 47 F HA 0.764 5.293 4.527 0.004 0.000 0.316 47 F C -0.966 174.809 175.800 -0.042 0.000 1.148 47 F CA -0.517 57.449 58.000 -0.057 0.000 0.940 47 F CB 1.770 40.747 39.000 -0.038 0.000 1.214 47 F HN 0.519 8.819 8.300 -0.000 0.000 0.448 48 A N 5.633 127.993 122.820 -0.766 0.000 2.393 48 A HA 0.798 5.120 4.320 0.004 0.000 0.306 48 A C -2.459 174.708 177.584 -0.694 0.000 1.050 48 A CA -0.633 51.108 52.037 -0.495 0.000 0.724 48 A CB 1.651 20.505 19.000 -0.244 0.000 1.248 48 A HN 0.847 8.997 8.150 -0.000 0.000 0.424 49 L N 1.786 122.770 121.223 -0.399 0.000 2.381 49 L HA 0.600 4.942 4.340 0.004 0.000 0.274 49 L C -0.960 175.820 176.870 -0.149 0.000 0.988 49 L CA -0.279 54.402 54.840 -0.264 0.000 0.824 49 L CB 1.810 43.805 42.059 -0.106 0.000 1.263 49 L HN 0.685 8.915 8.230 -0.000 0.000 0.410 50 D N 2.303 122.636 120.400 -0.113 0.000 2.325 50 D HA 0.147 4.789 4.640 0.004 0.000 0.251 50 D C 0.955 177.218 176.300 -0.062 0.000 1.196 50 D CA 0.333 54.286 54.000 -0.078 0.000 0.866 50 D CB 1.503 42.273 40.800 -0.051 0.000 1.101 50 D HN 0.729 9.099 8.370 -0.000 0.000 0.476 51 T N 0.192 114.704 114.554 -0.069 0.000 3.113 51 T HA 0.127 4.479 4.350 0.004 0.000 0.256 51 T C 1.671 176.351 174.700 -0.033 0.000 1.131 51 T CA 0.442 62.512 62.100 -0.049 0.000 1.074 51 T CB 0.162 68.995 68.868 -0.058 0.000 0.944 51 T HN 0.325 8.565 8.240 -0.000 0.000 0.516 52 G N 1.973 110.752 108.800 -0.035 0.000 2.411 52 G HA2 -0.011 3.951 3.960 0.004 0.000 0.213 52 G HA3 -0.011 3.951 3.960 0.004 0.000 0.213 52 G C 1.651 176.542 174.900 -0.015 0.000 1.166 52 G CA 1.120 46.207 45.100 -0.022 0.000 0.802 52 G HN 0.645 8.935 8.290 -0.000 0.000 0.533 53 T N -3.062 111.482 114.554 -0.016 0.000 2.985 53 T HA 0.154 4.507 4.350 0.004 0.000 0.254 53 T C 1.088 175.784 174.700 -0.008 0.000 1.021 53 T CA 0.627 62.721 62.100 -0.010 0.000 0.957 53 T CB -0.030 68.833 68.868 -0.008 0.000 1.047 53 T HN 0.333 8.573 8.240 -0.000 0.000 0.511 54 N N 0.664 119.356 118.700 -0.012 0.000 2.815 54 N HA -0.161 4.581 4.740 0.004 0.000 0.247 54 N C -0.389 175.115 175.510 -0.010 0.000 1.030 54 N CA 0.503 53.549 53.050 -0.006 0.000 0.881 54 N CB -1.016 37.476 38.487 0.008 0.000 1.134 54 N HN 0.426 8.806 8.380 -0.000 0.000 0.582 55 R N 1.128 121.616 120.500 -0.020 0.000 2.623 55 R HA 0.170 4.512 4.340 0.004 0.000 0.271 55 R C 0.737 176.995 176.300 -0.070 0.000 1.043 55 R CA 0.951 57.035 56.100 -0.027 0.000 1.083 55 R CB 0.222 30.509 30.300 -0.021 0.000 0.974 55 R HN 0.304 8.574 8.270 -0.000 0.000 0.436 56 T N -1.906 112.599 114.554 -0.081 0.000 2.916 56 T HA 0.633 4.985 4.350 0.004 0.000 0.292 56 T C 0.106 174.718 174.700 -0.148 0.000 1.055 56 T CA -0.821 61.159 62.100 -0.200 0.000 1.009 56 T CB 1.794 70.541 68.868 -0.202 0.000 1.118 56 T HN 0.201 8.441 8.240 -0.000 0.000 0.497 60 Y N 2.338 122.566 120.300 -0.120 0.000 2.313 60 Y HA 0.518 5.071 4.550 0.004 0.000 0.320 60 Y C 0.598 176.452 175.900 -0.076 0.000 1.171 60 Y CA -0.233 57.781 58.100 -0.144 0.000 1.093 60 Y CB 1.260 39.450 38.460 -0.450 0.000 1.224 60 Y HN 0.943 9.223 8.280 -0.000 0.000 0.421 61 R N 4.357 124.650 120.500 -0.345 0.000 3.322 61 R HA -0.169 4.173 4.340 0.004 0.000 0.253 61 R C -2.282 174.022 176.300 0.007 0.000 0.987 61 R CA 0.703 56.703 56.100 -0.166 0.000 0.666 61 R CB -0.956 29.284 30.300 -0.099 0.000 1.072 61 R HN 0.511 8.781 8.270 -0.000 0.000 0.447 62 P HA -0.097 4.323 4.420 -0.000 0.000 0.229 62 P C 0.205 177.495 177.300 -0.017 0.000 1.160 62 P CA 1.027 64.157 63.100 0.049 0.000 0.777 62 P CB 0.278 32.038 31.700 0.100 0.000 0.814 63 D N -0.368 120.016 120.400 -0.026 0.000 2.462 63 D HA 0.087 4.729 4.640 0.004 0.000 0.221 63 D C 0.242 176.534 176.300 -0.013 0.000 1.173 63 D CA 0.048 54.024 54.000 -0.040 0.000 0.831 63 D CB 0.579 41.339 40.800 -0.067 0.000 1.001 63 D HN 0.255 8.625 8.370 -0.000 0.000 0.499 64 E N 1.021 121.240 120.200 0.032 0.000 2.266 64 E HA 0.204 4.556 4.350 0.004 0.000 0.277 64 E C -0.151 176.450 176.600 0.002 0.000 1.018 64 E CA -0.533 55.848 56.400 -0.031 0.000 0.840 64 E CB 0.931 30.593 29.700 -0.064 0.000 1.082 64 E HN -0.125 8.235 8.360 -0.000 0.000 0.395 65 R N 3.142 123.569 120.500 -0.122 0.000 2.490 65 R HA 0.342 4.684 4.340 0.004 0.000 0.280 65 R C -0.726 175.438 176.300 -0.227 0.000 1.077 65 R CA -0.017 56.041 56.100 -0.071 0.000 1.065 65 R CB 0.511 30.751 30.300 -0.100 0.000 1.003 65 R HN 0.423 8.693 8.270 -0.000 0.000 0.470 66 F N -0.028 119.893 119.950 -0.048 0.000 2.588 66 F HA 0.340 4.872 4.527 0.008 0.000 0.310 66 F C 0.113 175.857 175.800 -0.094 0.000 1.082 66 F CA -1.065 56.901 58.000 -0.057 0.000 0.929 66 F CB 1.584 40.572 39.000 -0.020 0.000 1.254 66 F HN 0.546 8.846 8.300 -0.000 0.000 0.455 67 A N 2.376 125.219 122.820 0.038 0.000 2.583 67 A HA 0.073 4.395 4.320 0.004 0.000 0.249 67 A C 0.747 178.330 177.584 -0.002 0.000 1.035 67 A CA 0.212 52.181 52.037 -0.113 0.000 0.777 67 A CB -0.664 18.297 19.000 -0.064 0.000 0.942 67 A HN 0.746 8.896 8.150 -0.000 0.000 0.516 68 F N 2.147 122.131 119.950 0.057 0.000 2.456 68 F HA 0.396 4.929 4.527 0.011 0.000 0.298 68 F C 1.306 177.113 175.800 0.011 0.000 1.104 68 F CA -0.011 58.007 58.000 0.030 0.000 1.435 68 F CB -1.570 37.442 39.000 0.020 0.000 1.078 68 F HN 1.237 9.537 8.300 -0.000 0.000 0.546 69 A N 0.760 123.800 122.820 0.367 0.000 5.585 69 A HA -0.329 3.993 4.320 0.004 0.000 0.295 69 A C 1.743 179.496 177.584 0.283 0.000 1.985 69 A CA 1.901 54.091 52.037 0.254 0.000 0.716 69 A CB -2.163 16.908 19.000 0.118 0.000 1.237 69 A HN 0.477 8.627 8.150 -0.000 0.000 0.371 70 S N 0.395 116.176 115.700 0.135 0.000 2.555 70 S HA 0.022 4.495 4.470 0.004 0.000 0.230 70 S C 1.847 176.462 174.600 0.026 0.000 0.978 70 S CA 1.805 60.052 58.200 0.079 0.000 0.934 70 S CB -0.724 62.509 63.200 0.054 0.000 0.766 70 S HN 1.582 9.892 8.310 -0.000 0.000 0.533 71 T N 0.170 114.743 114.554 0.032 0.000 2.929 71 T HA -0.020 4.332 4.350 0.004 0.000 0.271 71 T C 1.575 176.208 174.700 -0.113 0.000 1.085 71 T CA 0.539 62.625 62.100 -0.023 0.000 1.125 71 T CB -0.491 68.377 68.868 -0.000 0.000 0.874 71 T HN 0.295 8.535 8.240 -0.000 0.000 0.494 72 I N 1.396 121.839 120.570 -0.212 0.000 2.567 72 I HA -0.041 4.131 4.170 0.004 0.000 0.257 72 I C 2.177 178.142 176.117 -0.253 0.000 1.184 72 I CA 1.011 62.052 61.300 -0.431 0.000 1.451 72 I CB -0.308 37.173 38.000 -0.864 0.000 1.089 72 I HN 0.186 8.396 8.210 -0.000 0.000 0.441 73 K N 0.293 120.604 120.400 -0.149 0.000 2.152 73 K HA -0.138 4.184 4.320 0.004 0.000 0.206 73 K C 2.131 178.647 176.600 -0.140 0.000 1.048 73 K CA 1.325 57.536 56.287 -0.127 0.000 0.933 73 K CB -0.353 32.099 32.500 -0.081 0.000 0.721 73 K HN 0.449 8.699 8.250 -0.000 0.000 0.447 74 A N 1.331 124.078 122.820 -0.121 0.000 1.898 74 A HA -0.081 4.241 4.320 0.004 0.000 0.216 74 A C 2.075 179.543 177.584 -0.192 0.000 1.181 74 A CA 1.057 53.032 52.037 -0.102 0.000 0.620 74 A CB -0.480 18.494 19.000 -0.044 0.000 0.819 74 A HN 0.135 8.285 8.150 -0.000 0.000 0.442 75 L N -0.827 120.266 121.223 -0.216 0.000 2.156 75 L HA -0.112 4.230 4.340 0.004 0.000 0.208 75 L C 2.666 179.311 176.870 -0.374 0.000 1.095 75 L CA 1.596 56.253 54.840 -0.305 0.000 0.770 75 L CB -1.035 40.931 42.059 -0.156 0.000 0.914 75 L HN 0.316 8.546 8.230 -0.000 0.000 0.439 76 T N -0.230 114.164 114.554 -0.266 0.000 2.737 76 T HA -0.128 4.225 4.350 0.004 0.000 0.265 76 T C 2.076 176.644 174.700 -0.221 0.000 1.038 76 T CA 1.125 63.092 62.100 -0.222 0.000 1.144 76 T CB -0.160 68.600 68.868 -0.180 0.000 0.866 76 T HN 0.035 8.275 8.240 -0.000 0.000 0.434 77 V N 1.511 121.299 119.914 -0.211 0.000 2.392 77 V HA -0.139 3.983 4.120 0.004 0.000 0.249 77 V C 2.829 178.788 176.094 -0.225 0.000 1.059 77 V CA 1.966 64.165 62.300 -0.167 0.000 1.051 77 V CB -1.361 30.395 31.823 -0.113 0.000 0.658 77 V HN 0.608 8.798 8.190 -0.000 0.000 0.455 78 G N -0.206 108.305 108.800 -0.480 0.000 2.446 78 G HA2 -0.232 3.730 3.960 0.004 0.000 0.217 78 G HA3 -0.232 3.730 3.960 0.004 0.000 0.217 78 G C 1.677 176.217 174.900 -0.599 0.000 1.168 78 G CA 1.316 45.886 45.100 -0.884 0.000 0.771 78 G HN 0.385 8.675 8.290 -0.000 0.000 0.551 79 V N 0.890 120.518 119.914 -0.477 0.000 2.255 79 V HA -0.178 3.944 4.120 0.004 0.000 0.247 79 V C 2.712 178.772 176.094 -0.055 0.000 1.051 79 V CA 1.805 64.031 62.300 -0.122 0.000 1.018 79 V CB -0.636 31.145 31.823 -0.069 0.000 0.641 79 V HN 0.379 8.569 8.190 -0.000 0.000 0.445 80 L N -0.209 120.966 121.223 -0.081 0.000 2.013 80 L HA -0.216 4.126 4.340 0.004 0.000 0.212 80 L C 2.224 179.098 176.870 0.007 0.000 1.073 80 L CA 2.022 56.842 54.840 -0.033 0.000 0.753 80 L CB -0.514 41.520 42.059 -0.043 0.000 0.890 80 L HN 0.232 8.462 8.230 -0.000 0.000 0.432 81 L N -1.123 120.107 121.223 0.012 0.000 2.131 81 L HA -0.234 4.108 4.340 0.004 0.000 0.210 81 L C 2.648 179.556 176.870 0.063 0.000 1.092 81 L CA 1.277 56.151 54.840 0.057 0.000 0.759 81 L CB -0.558 41.547 42.059 0.075 0.000 0.903 81 L HN 0.445 8.675 8.230 -0.000 0.000 0.435 82 Q N -0.484 119.361 119.800 0.073 0.000 2.084 82 Q HA -0.134 4.208 4.340 0.004 0.000 0.202 82 Q C 0.969 177.005 176.000 0.061 0.000 0.978 82 Q CA 1.122 56.981 55.803 0.094 0.000 0.844 82 Q CB 0.185 29.008 28.738 0.140 0.000 0.898 82 Q HN 0.544 8.814 8.270 -0.000 0.000 0.426 87 S N 0.962 116.681 115.700 0.031 0.000 2.580 87 S HA 0.199 4.671 4.470 0.004 0.000 0.266 87 S C 1.680 176.301 174.600 0.034 0.000 1.354 87 S CA -0.361 57.856 58.200 0.029 0.000 1.008 87 S CB 0.336 63.550 63.200 0.022 0.000 0.898 87 S HN 0.560 8.870 8.310 -0.000 0.000 0.555 88 I N 0.643 121.230 120.570 0.030 0.000 2.163 88 I HA -0.182 3.990 4.170 0.004 0.000 0.243 88 I C 2.843 178.981 176.117 0.034 0.000 1.085 88 I CA 1.954 63.274 61.300 0.032 0.000 1.347 88 I CB -0.491 37.517 38.000 0.013 0.000 1.044 88 I HN 0.799 9.009 8.210 -0.000 0.000 0.408 89 E N 1.254 121.468 120.200 0.024 0.000 2.130 89 E HA -0.263 4.089 4.350 0.004 0.000 0.196 89 E C 1.633 178.250 176.600 0.028 0.000 0.998 89 E CA 1.648 58.062 56.400 0.023 0.000 0.806 89 E CB -0.240 29.470 29.700 0.017 0.000 0.738 89 E HN 0.393 8.753 8.360 -0.000 0.000 0.459 90 D N -0.316 120.101 120.400 0.030 0.000 2.264 90 D HA -0.110 4.533 4.640 0.004 0.000 0.208 90 D C 1.760 178.082 176.300 0.037 0.000 0.966 90 D CA 0.526 54.544 54.000 0.030 0.000 0.864 90 D CB -0.109 40.709 40.800 0.029 0.000 0.933 90 D HN 0.302 8.672 8.370 -0.000 0.000 0.499 91 L N 0.665 121.918 121.223 0.049 0.000 2.456 91 L HA -0.100 4.242 4.340 0.004 0.000 0.224 91 L C 1.393 178.296 176.870 0.054 0.000 1.148 91 L CA 0.493 55.370 54.840 0.063 0.000 0.825 91 L CB -0.265 41.856 42.059 0.105 0.000 0.937 91 L HN -0.065 8.165 8.230 -0.000 0.000 0.450 92 N N -0.236 118.490 118.700 0.044 0.000 2.461 92 N HA -0.079 4.663 4.740 0.004 0.000 0.188 92 N C 0.720 176.246 175.510 0.028 0.000 1.134 92 N CA 0.222 53.293 53.050 0.035 0.000 0.878 92 N CB -0.033 38.472 38.487 0.030 0.000 0.972 92 N HN 0.378 8.758 8.380 -0.000 0.000 0.456 93 Q N 1.691 121.508 119.800 0.028 0.000 2.239 93 Q HA -0.048 4.294 4.340 0.004 0.000 0.286 93 Q C -0.035 175.981 176.000 0.027 0.000 1.102 93 Q CA -0.072 55.747 55.803 0.025 0.000 0.936 93 Q CB 0.398 29.151 28.738 0.026 0.000 1.127 93 Q HN 0.119 8.389 8.270 -0.000 0.000 0.380 94 R N 4.526 125.041 120.500 0.025 0.000 2.458 94 R HA 0.063 4.405 4.340 0.004 0.000 0.303 94 R C -0.498 175.828 176.300 0.043 0.000 1.013 94 R CA 0.060 56.177 56.100 0.029 0.000 1.026 94 R CB 0.337 30.648 30.300 0.018 0.000 0.948 94 R HN 0.510 8.780 8.270 -0.000 0.000 0.417 95 I N 4.885 125.497 120.570 0.070 0.000 2.354 95 I HA 0.182 4.354 4.170 0.004 0.000 0.292 95 I C 0.378 176.587 176.117 0.154 0.000 0.989 95 I CA -0.461 60.899 61.300 0.101 0.000 1.188 95 I CB 1.346 39.409 38.000 0.105 0.000 1.342 95 I HN 0.715 8.925 8.210 -0.000 0.000 0.457 96 T N 4.489 119.108 114.554 0.108 0.000 2.875 96 T HA 0.748 5.101 4.350 0.004 0.000 0.284 96 T C -0.566 174.222 174.700 0.145 0.000 0.995 96 T CA -0.474 61.652 62.100 0.042 0.000 1.060 96 T CB 1.538 70.397 68.868 -0.015 0.000 0.967 96 T HN 0.532 8.772 8.240 -0.000 0.000 0.476 97 Y N -1.109 119.193 120.300 0.002 0.000 2.705 97 Y HA 0.818 5.371 4.550 0.004 0.000 0.332 97 Y C -0.275 175.623 175.900 -0.004 0.000 1.221 97 Y CA -1.245 56.853 58.100 -0.002 0.000 1.059 97 Y CB 0.958 39.417 38.460 -0.002 0.000 1.298 97 Y HN 0.929 9.209 8.280 -0.000 0.000 0.459 98 T N -2.504 112.155 114.554 0.176 0.000 2.864 98 T HA 0.436 4.789 4.350 0.004 0.000 0.289 98 T C 0.367 175.145 174.700 0.131 0.000 1.082 98 T CA -1.150 60.989 62.100 0.064 0.000 1.009 98 T CB 2.003 70.888 68.868 0.029 0.000 1.234 98 T HN 0.795 9.035 8.240 -0.000 0.000 0.526 99 R N 0.242 120.779 120.500 0.062 0.000 2.261 99 R HA -0.107 4.236 4.340 0.004 0.000 0.236 99 R C 1.116 177.445 176.300 0.049 0.000 1.141 99 R CA 1.676 57.811 56.100 0.058 0.000 1.001 99 R CB -0.352 29.962 30.300 0.023 0.000 0.866 99 R HN 0.648 8.918 8.270 -0.000 0.000 0.468 100 D N 0.335 120.760 120.400 0.041 0.000 2.224 100 D HA -0.101 4.541 4.640 0.004 0.000 0.205 100 D C 1.160 177.470 176.300 0.016 0.000 0.965 100 D CA 0.883 54.896 54.000 0.021 0.000 0.852 100 D CB -0.115 40.690 40.800 0.008 0.000 0.947 100 D HN 0.192 8.562 8.370 -0.000 0.000 0.494 101 D N 0.309 120.734 120.400 0.042 0.000 2.269 101 D HA -0.061 4.581 4.640 0.004 0.000 0.208 101 D C 0.694 176.987 176.300 -0.012 0.000 0.963 101 D CA 0.165 54.173 54.000 0.014 0.000 0.864 101 D CB 0.245 41.076 40.800 0.052 0.000 0.936 101 D HN 0.098 8.468 8.370 -0.000 0.000 0.505 102 L N 1.171 122.406 121.223 0.019 0.000 2.453 102 L HA 0.027 4.370 4.340 0.004 0.000 0.272 102 L C 1.054 177.925 176.870 0.002 0.000 1.182 102 L CA 0.137 54.977 54.840 0.001 0.000 0.858 102 L CB 0.863 42.938 42.059 0.026 0.000 1.120 102 L HN -0.137 8.093 8.230 -0.000 0.000 0.474 103 V N 1.478 121.395 119.914 0.004 0.000 6.652 103 V HA 0.515 4.637 4.120 0.004 0.000 0.274 103 V C 1.160 177.283 176.094 0.050 0.000 1.662 103 V CA 0.101 62.416 62.300 0.027 0.000 0.592 103 V CB 0.364 32.207 31.823 0.034 0.000 1.533 103 V HN 0.732 8.922 8.190 -0.000 0.000 0.374 104 N N -0.518 118.232 118.700 0.084 0.000 2.354 104 N HA -0.014 4.728 4.740 0.004 0.000 0.179 104 N C -0.030 175.600 175.510 0.200 0.000 1.021 104 N CA 1.285 54.406 53.050 0.118 0.000 0.887 104 N CB 0.063 38.617 38.487 0.113 0.000 0.974 104 N HN 0.807 9.187 8.380 -0.000 0.000 0.437 105 Y N 0.630 120.945 120.300 0.025 0.000 2.298 105 Y HA 0.380 4.932 4.550 0.004 0.000 0.322 105 Y C -1.600 174.310 175.900 0.018 0.000 1.138 105 Y CA -1.517 56.599 58.100 0.027 0.000 1.127 105 Y CB 0.805 39.289 38.460 0.041 0.000 1.178 105 Y HN -0.026 8.254 8.280 -0.000 0.000 0.428 106 N N 8.276 126.719 118.700 -0.429 0.000 2.687 106 N HA 0.152 4.894 4.740 0.004 0.000 0.275 106 N C -2.591 172.687 175.510 -0.387 0.000 1.789 106 N CA -1.088 51.759 53.050 -0.338 0.000 0.806 106 N CB 1.407 39.802 38.487 -0.153 0.000 1.256 106 N HN 0.427 8.807 8.380 -0.000 0.000 0.500 107 P HA -0.065 4.355 4.420 -0.000 0.000 0.216 107 P C 1.239 178.363 177.300 -0.294 0.000 1.150 107 P CA 0.958 63.808 63.100 -0.417 0.000 0.837 107 P CB 0.664 32.112 31.700 -0.420 0.000 0.786 108 I N -0.627 119.786 120.570 -0.262 0.000 2.947 108 I HA -0.038 4.134 4.170 0.004 0.000 0.263 108 I C 2.362 178.488 176.117 0.014 0.000 1.130 108 I CA 1.701 62.912 61.300 -0.148 0.000 1.448 108 I CB -2.250 35.651 38.000 -0.166 0.000 1.222 108 I HN 0.043 8.253 8.210 -0.000 0.000 0.453 109 T N 0.315 114.846 114.554 -0.038 0.000 2.915 109 T HA -0.173 4.179 4.350 0.004 0.000 0.269 109 T C 1.466 176.241 174.700 0.125 0.000 1.071 109 T CA 1.246 63.370 62.100 0.041 0.000 1.132 109 T CB -0.649 68.106 68.868 -0.188 0.000 0.878 109 T HN 0.591 8.831 8.240 -0.000 0.000 0.479 110 E N 1.326 121.528 120.200 0.003 0.000 2.409 110 E HA -0.111 4.241 4.350 0.004 0.000 0.198 110 E C 1.551 178.113 176.600 -0.063 0.000 1.024 110 E CA 0.521 56.918 56.400 -0.004 0.000 0.861 110 E CB -0.144 29.526 29.700 -0.051 0.000 0.788 110 E HN 0.357 8.717 8.360 -0.000 0.000 0.521 111 K N 0.311 120.621 120.400 -0.150 0.000 2.404 111 K HA 0.067 4.389 4.320 0.004 0.000 0.194 111 K C 0.101 176.298 176.600 -0.672 0.000 1.023 111 K CA 0.391 56.430 56.287 -0.413 0.000 1.094 111 K CB 0.201 32.380 32.500 -0.535 0.000 0.841 111 K HN 0.409 8.659 8.250 -0.000 0.000 0.523 112 H N -0.805 118.288 119.070 0.039 0.000 2.865 112 H HA 0.084 4.642 4.556 0.003 0.000 0.247 112 H C 1.144 176.388 175.328 -0.140 0.000 1.181 112 H CA -0.227 55.824 56.048 0.005 0.000 0.975 112 H CB 0.631 30.431 29.762 0.064 0.000 1.899 112 H HN -0.124 8.156 8.280 -0.000 0.000 0.651 113 V N 1.507 121.352 119.914 -0.115 0.000 2.453 113 V HA -0.295 3.827 4.120 0.004 0.000 0.252 113 V C 1.904 177.808 176.094 -0.316 0.000 1.068 113 V CA 2.702 64.775 62.300 -0.378 0.000 1.070 113 V CB -0.069 31.664 31.823 -0.150 0.000 0.664 113 V HN 0.623 8.813 8.190 -0.000 0.000 0.461 114 D N -0.004 120.298 120.400 -0.163 0.000 2.178 114 D HA -0.145 4.497 4.640 0.004 0.000 0.202 114 D C 1.904 178.142 176.300 -0.103 0.000 0.974 114 D CA 2.017 55.949 54.000 -0.113 0.000 0.841 114 D CB -0.820 39.940 40.800 -0.067 0.000 0.953 114 D HN 0.648 9.018 8.370 -0.000 0.000 0.478 115 T N -4.340 110.165 114.554 -0.082 0.000 2.990 115 T HA 0.458 4.810 4.350 0.004 0.000 0.250 115 T C 1.263 175.916 174.700 -0.078 0.000 1.041 115 T CA 0.361 62.434 62.100 -0.046 0.000 1.010 115 T CB 0.236 69.114 68.868 0.018 0.000 1.003 115 T HN 0.503 8.743 8.240 -0.000 0.000 0.499 116 G N 1.546 110.235 108.800 -0.185 0.000 2.698 116 G HA2 -0.085 3.877 3.960 0.004 0.000 0.233 116 G HA3 -0.085 3.877 3.960 0.004 0.000 0.233 116 G C -0.685 174.272 174.900 0.094 0.000 1.352 116 G CA -0.064 44.950 45.100 -0.144 0.000 0.879 116 G HN 0.675 8.965 8.290 -0.000 0.000 0.567 117 M N 0.345 120.056 119.600 0.186 0.000 2.470 117 M HA 0.456 4.938 4.480 0.004 0.000 0.285 117 M C 0.608 176.939 176.300 0.052 0.000 1.213 117 M CA -0.250 55.099 55.300 0.082 0.000 0.901 117 M CB 2.654 35.312 32.600 0.096 0.000 1.718 117 M HN 1.151 9.441 8.290 -0.000 0.000 0.469 118 T N -1.007 113.553 114.554 0.010 0.000 2.813 118 T HA 0.317 4.670 4.350 0.004 0.000 0.297 118 T C 1.068 175.773 174.700 0.008 0.000 1.036 118 T CA -0.623 61.487 62.100 0.018 0.000 1.044 118 T CB 0.666 69.545 68.868 0.020 0.000 0.993 118 T HN 0.663 8.903 8.240 -0.000 0.000 0.535 119 L N 0.372 121.603 121.223 0.014 0.000 2.191 119 L HA -0.054 4.288 4.340 0.004 0.000 0.212 119 L C 2.940 179.799 176.870 -0.018 0.000 1.103 119 L CA 1.503 56.340 54.840 -0.004 0.000 0.769 119 L CB -0.479 41.587 42.059 0.012 0.000 0.908 119 L HN 0.847 9.077 8.230 -0.000 0.000 0.438 120 K N 0.496 120.916 120.400 0.034 0.000 2.057 120 K HA -0.190 4.132 4.320 0.004 0.000 0.206 120 K C 1.847 178.450 176.600 0.005 0.000 1.050 120 K CA 1.417 57.760 56.287 0.094 0.000 0.935 120 K CB 0.068 32.677 32.500 0.182 0.000 0.715 120 K HN 0.323 8.573 8.250 -0.000 0.000 0.439 121 E N 0.525 120.719 120.200 -0.010 0.000 2.150 121 E HA -0.157 4.195 4.350 0.004 0.000 0.193 121 E C 2.013 178.540 176.600 -0.122 0.000 0.985 121 E CA 0.919 57.288 56.400 -0.051 0.000 0.814 121 E CB 0.004 29.668 29.700 -0.060 0.000 0.752 121 E HN 0.309 8.669 8.360 -0.000 0.000 0.466 122 L N 0.468 121.613 121.223 -0.129 0.000 2.109 122 L HA -0.095 4.247 4.340 0.004 0.000 0.207 122 L C 2.551 179.267 176.870 -0.257 0.000 1.086 122 L CA 0.792 55.537 54.840 -0.159 0.000 0.760 122 L CB -0.356 41.627 42.059 -0.127 0.000 0.910 122 L HN 0.135 8.365 8.230 -0.000 0.000 0.437 123 A N -0.344 122.250 122.820 -0.377 0.000 1.877 123 A HA -0.278 4.044 4.320 0.004 0.000 0.216 123 A C 2.121 179.150 177.584 -0.926 0.000 1.186 123 A CA 1.919 53.555 52.037 -0.668 0.000 0.620 123 A CB -0.689 17.757 19.000 -0.923 0.000 0.822 123 A HN 0.458 8.608 8.150 -0.000 0.000 0.443 124 D N 0.113 119.983 120.400 -0.884 0.000 2.116 124 D HA -0.185 4.457 4.640 0.004 0.000 0.193 124 D C 2.133 178.303 176.300 -0.216 0.000 0.998 124 D CA 1.750 55.384 54.000 -0.610 0.000 0.836 124 D CB -0.084 40.654 40.800 -0.102 0.000 0.951 124 D HN 0.340 8.710 8.370 -0.000 0.000 0.449 125 A N 0.304 123.055 122.820 -0.115 0.000 1.902 125 A HA -0.151 4.171 4.320 0.004 0.000 0.217 125 A C 2.409 179.998 177.584 0.007 0.000 1.181 125 A CA 2.240 54.293 52.037 0.026 0.000 0.623 125 A CB -0.828 18.141 19.000 -0.052 0.000 0.818 125 A HN 0.332 8.482 8.150 -0.000 0.000 0.443 126 S N -0.505 115.127 115.700 -0.114 0.000 2.348 126 S HA -0.095 4.377 4.470 0.004 0.000 0.221 126 S C 1.975 176.524 174.600 -0.086 0.000 1.033 126 S CA 1.527 59.669 58.200 -0.097 0.000 1.010 126 S CB -0.470 62.637 63.200 -0.156 0.000 0.891 126 S HN 0.472 8.782 8.310 -0.000 0.000 0.442 127 L N 0.514 121.634 121.223 -0.173 0.000 2.044 127 L HA 0.026 4.368 4.340 0.004 0.000 0.205 127 L C 2.882 179.710 176.870 -0.070 0.000 1.075 127 L CA 1.230 56.001 54.840 -0.116 0.000 0.747 127 L CB -0.409 41.572 42.059 -0.130 0.000 0.903 127 L HN 0.256 8.486 8.230 -0.000 0.000 0.435 128 R N -1.541 118.901 120.500 -0.097 0.000 2.210 128 R HA -0.006 4.336 4.340 0.004 0.000 0.203 128 R C 1.224 177.281 176.300 -0.405 0.000 1.010 128 R CA 0.752 56.731 56.100 -0.201 0.000 1.008 128 R CB 0.198 30.373 30.300 -0.208 0.000 0.923 128 R HN 0.343 8.613 8.270 -0.000 0.000 0.469 129 Y N -1.061 119.251 120.300 0.020 0.000 2.471 129 Y HA 0.217 4.769 4.550 0.003 0.000 0.249 129 Y C 0.765 176.744 175.900 0.132 0.000 1.116 129 Y CA -0.347 57.796 58.100 0.071 0.000 1.240 129 Y CB 1.006 39.486 38.460 0.032 0.000 1.251 129 Y HN -0.165 8.115 8.280 -0.000 0.000 0.527 130 S N 1.686 117.491 115.700 0.175 0.000 3.682 130 S HA -0.223 4.249 4.470 0.004 0.000 0.354 130 S C -0.166 174.568 174.600 0.224 0.000 1.034 130 S CA 0.535 58.838 58.200 0.171 0.000 1.084 130 S CB -1.306 61.999 63.200 0.174 0.000 0.903 130 S HN 0.566 8.876 8.310 -0.000 0.000 0.470 131 D N 0.969 121.439 120.400 0.116 0.000 2.389 131 D HA 0.058 4.700 4.640 0.004 0.000 0.263 131 D C 1.359 177.668 176.300 0.014 0.000 1.255 131 D CA -0.088 53.908 54.000 -0.008 0.000 0.914 131 D CB 0.302 41.059 40.800 -0.072 0.000 1.116 131 D HN 0.403 8.773 8.370 -0.000 0.000 0.502 132 N N 3.332 122.067 118.700 0.059 0.000 2.166 132 N HA -0.161 4.581 4.740 0.004 0.000 0.186 132 N C 1.583 177.096 175.510 0.005 0.000 1.019 132 N CA 1.215 54.302 53.050 0.062 0.000 0.856 132 N CB -0.234 38.322 38.487 0.115 0.000 0.993 132 N HN 0.551 8.931 8.380 -0.000 0.000 0.426 133 A N 0.897 123.687 122.820 -0.050 0.000 1.930 133 A HA 0.069 4.391 4.320 0.004 0.000 0.217 133 A C 2.364 179.860 177.584 -0.147 0.000 1.175 133 A CA 1.762 53.736 52.037 -0.106 0.000 0.627 133 A CB -0.726 18.174 19.000 -0.166 0.000 0.815 133 A HN 0.310 8.460 8.150 -0.000 0.000 0.443 134 A N -0.401 122.330 122.820 -0.148 0.000 1.902 134 A HA -0.195 4.128 4.320 0.004 0.000 0.217 134 A C 2.175 179.698 177.584 -0.103 0.000 1.181 134 A CA 2.152 54.096 52.037 -0.155 0.000 0.623 134 A CB -0.561 18.356 19.000 -0.139 0.000 0.818 134 A HN 0.607 8.757 8.150 -0.000 0.000 0.443 135 Q N 0.544 120.307 119.800 -0.062 0.000 2.050 135 Q HA -0.195 4.147 4.340 0.004 0.000 0.202 135 Q C 1.674 177.675 176.000 0.001 0.000 0.980 135 Q CA 2.313 58.091 55.803 -0.041 0.000 0.840 135 Q CB -0.511 28.218 28.738 -0.014 0.000 0.898 135 Q HN 0.591 8.861 8.270 -0.000 0.000 0.424 136 N N -0.086 118.644 118.700 0.049 0.000 2.061 136 N HA -0.157 4.585 4.740 0.004 0.000 0.193 136 N C 1.369 176.962 175.510 0.139 0.000 1.030 136 N CA 1.377 54.526 53.050 0.164 0.000 0.856 136 N CB -0.463 38.110 38.487 0.144 0.000 1.023 136 N HN 0.221 8.601 8.380 -0.000 0.000 0.424 137 L N 0.965 122.196 121.223 0.012 0.000 2.046 137 L HA 0.003 4.345 4.340 0.004 0.000 0.208 137 L C 2.109 178.988 176.870 0.015 0.000 1.077 137 L CA 1.022 55.860 54.840 -0.003 0.000 0.747 137 L CB -0.964 41.033 42.059 -0.102 0.000 0.896 137 L HN 0.178 8.408 8.230 -0.000 0.000 0.432 138 I N -1.376 119.181 120.570 -0.023 0.000 2.226 138 I HA -0.335 3.837 4.170 0.004 0.000 0.245 138 I C 2.477 178.579 176.117 -0.025 0.000 1.100 138 I CA 1.053 62.330 61.300 -0.038 0.000 1.374 138 I CB -0.215 37.736 38.000 -0.081 0.000 1.057 138 I HN 0.197 8.407 8.210 -0.000 0.000 0.413 139 L N 0.501 121.711 121.223 -0.021 0.000 2.093 139 L HA -0.228 4.114 4.340 0.004 0.000 0.208 139 L C 2.594 179.458 176.870 -0.010 0.000 1.085 139 L CA 1.421 56.210 54.840 -0.084 0.000 0.755 139 L CB -0.291 41.647 42.059 -0.202 0.000 0.904 139 L HN 0.203 8.433 8.230 -0.000 0.000 0.435 140 K N -0.614 119.887 120.400 0.169 0.000 2.063 140 K HA -0.234 4.089 4.320 0.004 0.000 0.208 140 K C 2.136 178.800 176.600 0.105 0.000 1.048 140 K CA 1.384 57.812 56.287 0.236 0.000 0.928 140 K CB 0.112 32.750 32.500 0.229 0.000 0.713 140 K HN 0.268 8.518 8.250 -0.000 0.000 0.442 141 Q N 0.193 120.028 119.800 0.059 0.000 2.172 141 Q HA -0.096 4.246 4.340 0.004 0.000 0.200 141 Q C 1.944 177.955 176.000 0.019 0.000 0.964 141 Q CA 1.325 57.148 55.803 0.035 0.000 0.855 141 Q CB 0.024 28.775 28.738 0.020 0.000 0.918 141 Q HN 0.610 8.880 8.270 -0.000 0.000 0.444 142 I N -3.853 116.717 120.570 -0.000 0.000 3.810 142 I HA 0.374 4.546 4.170 0.004 0.000 0.322 142 I C 0.741 176.852 176.117 -0.009 0.000 1.288 142 I CA 0.544 61.838 61.300 -0.010 0.000 1.143 142 I CB -0.030 37.952 38.000 -0.031 0.000 1.012 142 I HN 0.099 8.309 8.210 -0.000 0.000 0.423 143 G N 0.750 109.554 108.800 0.007 0.000 2.140 143 G HA2 0.124 4.086 3.960 0.004 0.000 0.211 143 G HA3 0.124 4.086 3.960 0.004 0.000 0.211 143 G C 0.573 175.473 174.900 -0.001 0.000 1.013 143 G CA -0.135 44.978 45.100 0.021 0.000 0.705 143 G HN 1.530 9.820 8.290 -0.000 0.000 0.508 144 G N -0.845 107.920 108.800 -0.060 0.000 2.795 144 G HA2 0.174 4.136 3.960 0.004 0.000 0.664 144 G HA3 0.174 4.136 3.960 0.004 0.000 0.664 144 G C -0.610 174.133 174.900 -0.262 0.000 1.381 144 G CA 0.155 45.119 45.100 -0.227 0.000 0.853 144 G HN 0.753 9.043 8.290 -0.000 0.000 0.545 145 P HA -0.131 4.289 4.420 -0.000 0.000 0.216 145 P C 1.365 178.614 177.300 -0.086 0.000 1.150 145 P CA 1.953 64.927 63.100 -0.210 0.000 0.843 145 P CB 0.113 31.704 31.700 -0.182 0.000 0.787 146 E N -0.085 120.082 120.200 -0.054 0.000 2.118 146 E HA -0.140 4.212 4.350 0.004 0.000 0.195 146 E C 2.346 178.935 176.600 -0.018 0.000 0.992 146 E CA 1.457 57.847 56.400 -0.017 0.000 0.804 146 E CB -0.945 28.757 29.700 0.003 0.000 0.741 146 E HN 0.102 8.462 8.360 -0.000 0.000 0.458 147 S N -1.057 114.624 115.700 -0.031 0.000 2.377 147 S HA -0.057 4.415 4.470 0.004 0.000 0.223 147 S C 1.820 176.405 174.600 -0.025 0.000 1.030 147 S CA 0.831 59.019 58.200 -0.021 0.000 0.970 147 S CB -0.349 62.839 63.200 -0.019 0.000 0.830 147 S HN 0.302 8.612 8.310 -0.000 0.000 0.473 148 L N 2.496 123.687 121.223 -0.053 0.000 1.989 148 L HA -0.033 4.309 4.340 0.004 0.000 0.211 148 L C 2.327 179.184 176.870 -0.022 0.000 1.071 148 L CA 2.211 57.020 54.840 -0.052 0.000 0.749 148 L CB -0.861 41.138 42.059 -0.099 0.000 0.890 148 L HN 0.255 8.485 8.230 -0.000 0.000 0.431 149 K N -0.188 120.202 120.400 -0.017 0.000 2.074 149 K HA -0.294 4.028 4.320 0.004 0.000 0.209 149 K C 2.313 178.920 176.600 0.012 0.000 1.048 149 K CA 2.099 58.390 56.287 0.007 0.000 0.926 149 K CB -0.213 32.296 32.500 0.014 0.000 0.713 149 K HN 0.481 8.731 8.250 -0.000 0.000 0.444 150 K N 0.356 120.760 120.400 0.008 0.000 2.057 150 K HA -0.139 4.183 4.320 0.004 0.000 0.206 150 K C 1.631 178.242 176.600 0.018 0.000 1.050 150 K CA 1.442 57.736 56.287 0.011 0.000 0.935 150 K CB 0.056 32.562 32.500 0.009 0.000 0.715 150 K HN 0.083 8.333 8.250 -0.000 0.000 0.439 151 E N 1.098 121.313 120.200 0.026 0.000 2.152 151 E HA -0.121 4.231 4.350 0.004 0.000 0.192 151 E C 2.152 178.795 176.600 0.072 0.000 0.983 151 E CA 0.771 57.201 56.400 0.050 0.000 0.818 151 E CB -0.112 29.628 29.700 0.065 0.000 0.758 151 E HN 0.407 8.767 8.360 -0.000 0.000 0.467 152 L N 0.647 121.911 121.223 0.067 0.000 2.056 152 L HA -0.127 4.215 4.340 0.004 0.000 0.207 152 L C 2.510 179.392 176.870 0.020 0.000 1.078 152 L CA 0.885 55.765 54.840 0.067 0.000 0.749 152 L CB -0.465 41.627 42.059 0.055 0.000 0.901 152 L HN 0.002 8.232 8.230 -0.000 0.000 0.433 153 R N 0.826 121.335 120.500 0.014 0.000 2.117 153 R HA -0.193 4.150 4.340 0.004 0.000 0.243 153 R C 2.180 178.473 176.300 -0.011 0.000 1.143 153 R CA 1.355 57.455 56.100 -0.000 0.000 0.968 153 R CB -0.578 29.724 30.300 0.003 0.000 0.863 153 R HN 0.269 8.539 8.270 -0.000 0.000 0.444 154 K N 0.832 121.228 120.400 -0.006 0.000 2.280 154 K HA -0.085 4.237 4.320 0.004 0.000 0.202 154 K C 1.887 178.460 176.600 -0.046 0.000 1.047 154 K CA 0.919 57.196 56.287 -0.017 0.000 0.942 154 K CB -0.167 32.330 32.500 -0.004 0.000 0.739 154 K HN 0.370 8.620 8.250 -0.000 0.000 0.457 155 I N -4.343 116.186 120.570 -0.069 0.000 3.793 155 I HA 0.310 4.482 4.170 0.004 0.000 0.315 155 I C 0.881 176.930 176.117 -0.114 0.000 1.275 155 I CA 0.459 61.675 61.300 -0.140 0.000 1.214 155 I CB 0.532 38.347 38.000 -0.309 0.000 1.018 155 I HN 0.111 8.321 8.210 -0.000 0.000 0.439 156 G N 0.957 109.715 108.800 -0.069 0.000 2.168 156 G HA2 -0.246 3.716 3.960 0.004 0.000 0.197 156 G HA3 -0.246 3.716 3.960 0.004 0.000 0.197 156 G C -0.252 174.620 174.900 -0.046 0.000 0.997 156 G CA 0.095 45.162 45.100 -0.056 0.000 0.658 156 G HN 0.505 8.795 8.290 -0.000 0.000 0.513 157 D N 1.004 121.382 120.400 -0.037 0.000 2.428 157 D HA 0.424 5.067 4.640 0.004 0.000 0.221 157 D C 1.215 177.509 176.300 -0.009 0.000 1.123 157 D CA -0.434 53.553 54.000 -0.022 0.000 0.869 157 D CB 0.558 41.354 40.800 -0.006 0.000 1.032 157 D HN 0.258 8.628 8.370 -0.000 0.000 0.506 158 E N 2.385 122.577 120.200 -0.014 0.000 2.489 158 E HA -0.026 4.326 4.350 0.004 0.000 0.193 158 E C 1.527 178.128 176.600 0.002 0.000 1.057 158 E CA 0.141 56.537 56.400 -0.007 0.000 0.866 158 E CB 0.899 30.590 29.700 -0.014 0.000 0.916 158 E HN 0.463 8.823 8.360 -0.000 0.000 0.500 159 V N -0.470 119.449 119.914 0.008 0.000 2.672 159 V HA 0.078 4.201 4.120 0.004 0.000 0.242 159 V C 0.937 177.068 176.094 0.061 0.000 1.059 159 V CA 0.631 62.944 62.300 0.021 0.000 1.081 159 V CB 0.233 32.059 31.823 0.005 0.000 0.752 159 V HN -0.057 8.133 8.190 -0.000 0.000 0.472 160 T N 3.205 117.808 114.554 0.083 0.000 2.888 160 T HA 0.185 4.537 4.350 0.004 0.000 0.301 160 T C -0.109 174.695 174.700 0.173 0.000 1.001 160 T CA 0.685 62.881 62.100 0.160 0.000 1.147 160 T CB 0.076 68.994 68.868 0.083 0.000 0.931 160 T HN 0.528 8.768 8.240 -0.000 0.000 0.541 161 N N 3.872 122.746 118.700 0.291 0.000 2.844 161 N HA 0.312 5.055 4.740 0.004 0.000 0.268 161 N C -2.856 172.816 175.510 0.269 0.000 1.574 161 N CA -1.631 51.537 53.050 0.196 0.000 0.838 161 N CB 0.919 39.463 38.487 0.095 0.000 1.177 161 N HN 0.284 8.664 8.380 -0.000 0.000 0.495 162 P HA 0.113 4.533 4.420 -0.000 0.000 0.267 162 P C 0.132 177.507 177.300 0.124 0.000 1.205 162 P CA 0.185 63.450 63.100 0.274 0.000 0.765 162 P CB 1.234 32.989 31.700 0.092 0.000 0.828 163 E N 2.355 122.615 120.200 0.100 0.000 2.414 163 E HA 0.130 4.482 4.350 0.004 0.000 0.208 163 E C 0.297 176.930 176.600 0.054 0.000 0.820 163 E CA 0.460 56.891 56.400 0.051 0.000 1.143 163 E CB 0.683 30.403 29.700 0.032 0.000 1.150 163 E HN 0.474 8.834 8.360 -0.000 0.000 0.540 164 R N -0.026 120.518 120.500 0.072 0.000 2.744 164 R HA 0.459 4.801 4.340 0.004 0.000 0.279 164 R C -0.508 175.868 176.300 0.127 0.000 0.977 164 R CA -0.687 55.491 56.100 0.130 0.000 0.906 164 R CB 1.472 31.846 30.300 0.123 0.000 1.197 164 R HN -0.167 8.103 8.270 -0.000 0.000 0.463 165 F N -0.070 119.910 119.950 0.050 0.000 2.485 165 F HA 0.024 4.552 4.527 0.001 0.000 0.327 165 F C 1.077 176.909 175.800 0.054 0.000 1.203 165 F CA -0.067 57.960 58.000 0.046 0.000 1.295 165 F CB 0.467 39.483 39.000 0.027 0.000 1.191 165 F HN 0.493 8.793 8.300 -0.000 0.000 0.588 166 C N 3.194 122.645 119.300 0.252 0.000 2.244 166 C HA -0.139 4.323 4.460 0.004 0.000 0.194 166 C C -1.518 173.558 174.990 0.143 0.000 1.247 166 C CA -1.502 57.617 59.018 0.169 0.000 2.797 166 C CB -2.604 25.221 27.740 0.142 0.000 1.688 166 C HN 0.415 8.645 8.230 -0.000 0.000 0.282 171 E N 0.891 121.128 120.200 0.063 0.000 3.538 171 E HA -0.425 3.927 4.350 0.004 0.000 0.425 171 E C 0.811 177.459 176.600 0.080 0.000 1.612 171 E CA 3.795 60.257 56.400 0.104 0.000 1.581 171 E CB -0.926 28.846 29.700 0.121 0.000 1.518 171 E HN 0.574 8.934 8.360 -0.000 0.000 0.424 172 V N -3.153 116.827 119.914 0.111 0.000 0.679 172 V HA -0.294 3.828 4.120 0.004 0.000 0.092 172 V C 0.130 176.281 176.094 0.095 0.000 0.960 172 V CA 1.672 64.022 62.300 0.083 0.000 3.135 172 V CB -1.497 30.345 31.823 0.031 0.000 0.293 172 V HN 0.777 8.967 8.190 -0.000 0.000 0.254 173 N N 1.853 120.535 118.700 -0.031 0.000 2.321 173 N HA 0.784 5.527 4.740 0.004 0.000 0.290 173 N C -3.164 172.149 175.510 -0.328 0.000 1.212 173 N CA -0.752 52.218 53.050 -0.135 0.000 0.767 173 N CB 1.993 40.438 38.487 -0.069 0.000 1.494 173 N HN 0.659 9.039 8.380 -0.000 0.000 0.479 174 P HA 0.255 4.675 4.420 -0.000 0.000 0.276 174 P C 0.656 177.826 177.300 -0.217 0.000 1.235 174 P CA 0.321 63.197 63.100 -0.373 0.000 0.772 174 P CB 0.690 32.167 31.700 -0.371 0.000 0.871 175 G N 2.072 110.754 108.800 -0.195 0.000 2.612 175 G HA2 -0.168 3.795 3.960 0.004 0.000 0.200 175 G HA3 -0.168 3.795 3.960 0.004 0.000 0.200 175 G C 0.024 174.850 174.900 -0.123 0.000 1.053 175 G CA -0.475 44.539 45.100 -0.144 0.000 0.707 175 G HN 0.528 8.818 8.290 -0.000 0.000 0.497 176 E N 0.897 121.026 120.200 -0.119 0.000 2.458 176 E HA 0.390 4.742 4.350 0.004 0.000 0.264 176 E C 1.596 178.132 176.600 -0.106 0.000 1.097 176 E CA 1.035 57.377 56.400 -0.098 0.000 0.973 176 E CB 0.612 30.259 29.700 -0.088 0.000 0.963 176 E HN 0.526 8.886 8.360 -0.000 0.000 0.451 177 T N -1.773 112.731 114.554 -0.084 0.000 3.054 177 T HA -0.036 4.316 4.350 0.004 0.000 0.255 177 T C 0.424 175.073 174.700 -0.085 0.000 1.035 177 T CA -0.564 61.488 62.100 -0.081 0.000 0.941 177 T CB 0.167 69.001 68.868 -0.055 0.000 1.026 177 T HN 0.442 8.682 8.240 -0.000 0.000 0.533 178 Q N 1.814 121.561 119.800 -0.088 0.000 2.394 178 Q HA 0.081 4.423 4.340 0.004 0.000 0.248 178 Q C -0.699 175.185 176.000 -0.194 0.000 0.992 178 Q CA 0.141 55.891 55.803 -0.088 0.000 0.888 178 Q CB 0.237 28.944 28.738 -0.053 0.000 1.257 178 Q HN 0.360 8.630 8.270 -0.000 0.000 0.462 179 D N 1.186 121.439 120.400 -0.246 0.000 2.713 179 D HA -0.173 4.469 4.640 0.004 0.000 0.231 179 D C -0.370 175.218 176.300 -1.186 0.000 1.173 179 D CA 1.622 55.163 54.000 -0.764 0.000 0.628 179 D CB -1.534 38.915 40.800 -0.584 0.000 1.033 179 D HN 0.776 9.146 8.370 -0.000 0.000 0.419 180 T N -4.316 109.911 114.554 -0.545 0.000 2.924 180 T HA 0.710 5.062 4.350 0.004 0.000 0.291 180 T C -0.088 174.675 174.700 0.105 0.000 1.045 180 T CA -0.533 61.408 62.100 -0.264 0.000 1.015 180 T CB 3.298 72.086 68.868 -0.133 0.000 1.103 180 T HN 0.047 8.287 8.240 -0.000 0.000 0.496 181 S N -0.179 115.650 115.700 0.215 0.000 2.880 181 S HA 0.846 5.319 4.470 0.004 0.000 0.308 181 S C -0.919 173.784 174.600 0.173 0.000 1.195 181 S CA -0.217 58.121 58.200 0.230 0.000 0.866 181 S CB 1.232 64.622 63.200 0.316 0.000 1.254 181 S HN 1.427 9.737 8.310 -0.000 0.000 0.571 182 T N -1.082 113.545 114.554 0.122 0.000 2.916 182 T HA 0.771 5.123 4.350 0.004 0.000 0.292 182 T C 1.160 175.898 174.700 0.064 0.000 1.064 182 T CA -0.074 62.093 62.100 0.111 0.000 1.011 182 T CB 1.133 70.025 68.868 0.039 0.000 1.152 182 T HN 0.942 9.182 8.240 -0.000 0.000 0.510 183 A N 1.044 123.899 122.820 0.058 0.000 1.908 183 A HA -0.055 4.268 4.320 0.004 0.000 0.218 183 A C 2.399 180.000 177.584 0.028 0.000 1.181 183 A CA 1.731 53.793 52.037 0.041 0.000 0.627 183 A CB -0.884 18.148 19.000 0.054 0.000 0.818 183 A HN 0.927 9.077 8.150 -0.000 0.000 0.445 184 R N -0.503 119.906 120.500 -0.153 0.000 2.081 184 R HA -0.120 4.222 4.340 0.004 0.000 0.235 184 R C 2.253 178.406 176.300 -0.244 0.000 1.131 184 R CA 1.474 57.260 56.100 -0.524 0.000 0.960 184 R CB -0.342 29.491 30.300 -0.779 0.000 0.856 184 R HN 0.467 8.737 8.270 -0.000 0.000 0.436 185 A N 0.663 123.410 122.820 -0.121 0.000 1.930 185 A HA -0.025 4.297 4.320 0.004 0.000 0.215 185 A C 2.153 179.729 177.584 -0.012 0.000 1.176 185 A CA 0.682 52.680 52.037 -0.065 0.000 0.632 185 A CB -0.293 18.692 19.000 -0.025 0.000 0.819 185 A HN 0.301 8.451 8.150 -0.000 0.000 0.445 186 L N -0.131 121.100 121.223 0.014 0.000 2.093 186 L HA -0.134 4.209 4.340 0.004 0.000 0.208 186 L C 2.658 179.558 176.870 0.050 0.000 1.085 186 L CA 1.368 56.228 54.840 0.032 0.000 0.755 186 L CB -0.489 41.591 42.059 0.035 0.000 0.904 186 L HN 0.432 8.662 8.230 -0.000 0.000 0.435 187 V N -2.545 117.414 119.914 0.076 0.000 2.453 187 V HA -0.180 3.942 4.120 0.004 0.000 0.247 187 V C 2.221 178.369 176.094 0.089 0.000 1.048 187 V CA 2.231 64.601 62.300 0.116 0.000 1.049 187 V CB -0.445 31.521 31.823 0.238 0.000 0.672 187 V HN 0.393 8.583 8.190 -0.000 0.000 0.457 188 T N 0.518 115.103 114.554 0.052 0.000 2.857 188 T HA -0.082 4.270 4.350 0.004 0.000 0.266 188 T C 2.101 176.803 174.700 0.003 0.000 1.048 188 T CA 1.876 63.989 62.100 0.020 0.000 1.139 188 T CB -0.311 68.537 68.868 -0.034 0.000 0.874 188 T HN 0.600 8.840 8.240 -0.000 0.000 0.455 189 S N 1.118 116.830 115.700 0.019 0.000 2.371 189 S HA 0.125 4.597 4.470 0.004 0.000 0.224 189 S C 1.928 176.619 174.600 0.152 0.000 1.029 189 S CA 0.453 58.680 58.200 0.045 0.000 0.978 189 S CB -0.412 62.839 63.200 0.085 0.000 0.833 189 S HN 0.334 8.644 8.310 -0.000 0.000 0.466 190 L N 1.483 122.790 121.223 0.139 0.000 2.017 190 L HA -0.120 4.222 4.340 0.004 0.000 0.208 190 L C 2.739 179.687 176.870 0.129 0.000 1.073 190 L CA 1.502 56.433 54.840 0.153 0.000 0.745 190 L CB -0.326 41.782 42.059 0.082 0.000 0.894 190 L HN 0.280 8.510 8.230 -0.000 0.000 0.432 191 R N -0.249 120.292 120.500 0.067 0.000 2.081 191 R HA -0.194 4.148 4.340 0.004 0.000 0.235 191 R C 2.191 178.506 176.300 0.025 0.000 1.131 191 R CA 1.526 57.648 56.100 0.037 0.000 0.960 191 R CB -0.281 30.030 30.300 0.019 0.000 0.856 191 R HN 0.487 8.757 8.270 -0.000 0.000 0.436 192 A N 0.060 122.861 122.820 -0.032 0.000 1.940 192 A HA -0.156 4.166 4.320 0.004 0.000 0.219 192 A C 1.862 179.357 177.584 -0.149 0.000 1.176 192 A CA 1.276 53.227 52.037 -0.145 0.000 0.631 192 A CB -0.530 18.302 19.000 -0.281 0.000 0.814 192 A HN 0.360 8.510 8.150 -0.000 0.000 0.446 193 F N -0.714 119.246 119.950 0.016 0.000 2.270 193 F HA 0.187 4.716 4.527 0.003 0.000 0.295 193 F C 2.647 178.469 175.800 0.037 0.000 1.087 193 F CA 0.886 58.900 58.000 0.024 0.000 1.365 193 F CB -0.279 38.735 39.000 0.024 0.000 1.056 193 F HN 0.237 8.537 8.300 -0.000 0.000 0.506 194 A N -1.417 121.547 122.820 0.240 0.000 2.044 194 A HA 0.161 4.483 4.320 0.004 0.000 0.213 194 A C 1.643 179.317 177.584 0.149 0.000 1.169 194 A CA 1.052 53.202 52.037 0.187 0.000 0.724 194 A CB -0.136 18.968 19.000 0.174 0.000 0.840 194 A HN 0.265 8.415 8.150 -0.000 0.000 0.463 195 L N -1.471 119.817 121.223 0.108 0.000 2.902 195 L HA 0.343 4.685 4.340 0.004 0.000 0.254 195 L C 1.196 178.099 176.870 0.054 0.000 1.115 195 L CA 0.713 55.606 54.840 0.088 0.000 0.947 195 L CB -0.113 41.978 42.059 0.054 0.000 1.369 195 L HN 0.358 8.588 8.230 -0.000 0.000 0.538 196 E N -0.734 119.485 120.200 0.031 0.000 3.432 196 E HA 0.150 4.502 4.350 0.004 0.000 0.385 196 E C -0.236 176.366 176.600 0.003 0.000 0.439 196 E CA -0.270 56.132 56.400 0.004 0.000 2.317 196 E CB 0.485 30.170 29.700 -0.025 0.000 2.175 196 E HN -0.061 8.299 8.360 -0.000 0.000 0.450 197 D N -0.546 119.840 120.400 -0.023 0.000 2.599 197 D HA 0.109 4.751 4.640 0.004 0.000 0.249 197 D C 0.272 176.556 176.300 -0.027 0.000 1.313 197 D CA 0.078 54.069 54.000 -0.015 0.000 0.815 197 D CB 0.618 41.408 40.800 -0.017 0.000 1.077 197 D HN 0.022 8.392 8.370 -0.000 0.000 0.492 198 K N -0.056 120.311 120.400 -0.054 0.000 2.418 198 K HA 0.190 4.512 4.320 0.004 0.000 0.195 198 K C 0.734 177.367 176.600 0.057 0.000 1.035 198 K CA 0.284 56.527 56.287 -0.073 0.000 1.003 198 K CB 1.278 33.588 32.500 -0.318 0.000 0.793 198 K HN 0.209 8.459 8.250 -0.000 0.000 0.494 199 L N 1.858 123.136 121.223 0.092 0.000 2.370 199 L HA 0.367 4.709 4.340 0.004 0.000 0.266 199 L C -2.414 174.495 176.870 0.064 0.000 1.002 199 L CA -2.241 52.668 54.840 0.115 0.000 0.818 199 L CB 2.376 44.535 42.059 0.166 0.000 1.325 199 L HN -0.143 8.087 8.230 -0.000 0.000 0.418 200 P HA 0.115 4.535 4.420 -0.000 0.000 0.276 200 P C 0.388 177.702 177.300 0.024 0.000 1.252 200 P CA -0.482 62.635 63.100 0.029 0.000 0.802 200 P CB 1.033 32.747 31.700 0.023 0.000 1.035 201 S N 0.297 116.004 115.700 0.013 0.000 2.399 201 S HA -0.198 4.274 4.470 0.004 0.000 0.231 201 S C 1.449 176.042 174.600 -0.011 0.000 1.022 201 S CA 1.186 59.389 58.200 0.005 0.000 0.983 201 S CB -1.014 62.186 63.200 -0.001 0.000 0.803 201 S HN 0.511 8.821 8.310 -0.000 0.000 0.480 202 E N 1.365 121.555 120.200 -0.017 0.000 2.150 202 E HA -0.065 4.287 4.350 0.004 0.000 0.193 202 E C 2.135 178.704 176.600 -0.052 0.000 0.985 202 E CA 1.037 57.414 56.400 -0.039 0.000 0.814 202 E CB -0.086 29.592 29.700 -0.036 0.000 0.752 202 E HN 0.623 8.983 8.360 -0.000 0.000 0.466 203 K N 0.415 120.802 120.400 -0.021 0.000 2.167 203 K HA -0.017 4.305 4.320 0.004 0.000 0.203 203 K C 2.181 178.776 176.600 -0.009 0.000 1.052 203 K CA 0.317 56.595 56.287 -0.014 0.000 0.956 203 K CB 0.014 32.532 32.500 0.031 0.000 0.735 203 K HN -0.057 8.193 8.250 -0.000 0.000 0.451 204 R N 1.742 122.252 120.500 0.017 0.000 2.091 204 R HA -0.177 4.165 4.340 0.004 0.000 0.238 204 R C 1.661 177.957 176.300 -0.007 0.000 1.136 204 R CA 1.689 57.813 56.100 0.041 0.000 0.959 204 R CB 0.065 30.397 30.300 0.053 0.000 0.856 204 R HN 0.237 8.507 8.270 -0.000 0.000 0.437 205 E N 0.171 120.337 120.200 -0.058 0.000 2.106 205 E HA -0.164 4.188 4.350 0.004 0.000 0.192 205 E C 2.074 178.548 176.600 -0.210 0.000 0.984 205 E CA 1.101 57.435 56.400 -0.110 0.000 0.806 205 E CB -0.031 29.599 29.700 -0.116 0.000 0.750 205 E HN 0.326 8.686 8.360 -0.000 0.000 0.458 206 L N 0.503 121.554 121.223 -0.287 0.000 2.012 206 L HA -0.209 4.133 4.340 0.004 0.000 0.210 206 L C 2.531 179.066 176.870 -0.558 0.000 1.073 206 L CA 0.639 55.108 54.840 -0.618 0.000 0.748 206 L CB -0.401 41.247 42.059 -0.686 0.000 0.891 206 L HN 0.217 8.447 8.230 -0.000 0.000 0.431 207 L N -0.032 121.108 121.223 -0.139 0.000 2.046 207 L HA -0.182 4.160 4.340 0.004 0.000 0.208 207 L C 2.284 179.222 176.870 0.113 0.000 1.077 207 L CA 1.725 56.647 54.840 0.136 0.000 0.747 207 L CB -0.351 41.787 42.059 0.132 0.000 0.896 207 L HN 0.087 8.317 8.230 -0.000 0.000 0.432 208 I N -0.363 120.230 120.570 0.039 0.000 2.252 208 I HA -0.262 3.910 4.170 0.004 0.000 0.245 208 I C 2.174 178.304 176.117 0.021 0.000 1.102 208 I CA 1.630 62.979 61.300 0.082 0.000 1.385 208 I CB -0.342 37.704 38.000 0.077 0.000 1.064 208 I HN 0.394 8.604 8.210 -0.000 0.000 0.414 209 D N 0.275 120.609 120.400 -0.111 0.000 2.097 209 D HA -0.234 4.408 4.640 0.004 0.000 0.195 209 D C 2.093 178.372 176.300 -0.035 0.000 0.989 209 D CA 1.376 55.289 54.000 -0.145 0.000 0.827 209 D CB -0.067 40.572 40.800 -0.268 0.000 0.966 209 D HN 0.221 8.591 8.370 -0.000 0.000 0.456 210 W N 0.545 121.843 121.300 -0.003 0.000 2.321 210 W HA -0.138 4.524 4.660 0.004 0.000 0.306 210 W C 2.308 178.823 176.519 -0.006 0.000 1.217 210 W CA 0.726 58.067 57.345 -0.007 0.000 1.257 210 W CB -0.964 28.492 29.460 -0.007 0.000 1.145 210 W HN 0.231 8.411 8.180 -0.000 0.000 0.509 211 M N -0.218 119.537 119.600 0.257 0.000 2.254 211 M HA -0.139 4.343 4.480 0.004 0.000 0.265 211 M C 1.945 178.323 176.300 0.131 0.000 1.066 211 M CA 1.442 56.841 55.300 0.165 0.000 1.123 211 M CB -0.591 32.106 32.600 0.161 0.000 1.388 211 M HN -0.149 8.141 8.290 -0.000 0.000 0.425 212 K N 0.256 120.728 120.400 0.119 0.000 2.147 212 K HA -0.084 4.238 4.320 0.004 0.000 0.205 212 K C 1.504 178.142 176.600 0.063 0.000 1.049 212 K CA 1.041 57.383 56.287 0.091 0.000 0.936 212 K CB 0.016 32.531 32.500 0.024 0.000 0.722 212 K HN 0.298 8.548 8.250 -0.000 0.000 0.446 213 R N 0.845 121.383 120.500 0.062 0.000 2.427 213 R HA 0.085 4.427 4.340 0.004 0.000 0.262 213 R C -0.077 176.227 176.300 0.006 0.000 0.943 213 R CA -0.387 55.737 56.100 0.040 0.000 1.081 213 R CB -0.056 30.276 30.300 0.054 0.000 1.166 213 R HN 0.099 8.369 8.270 -0.000 0.000 0.534 214 N N 1.667 120.375 118.700 0.013 0.000 2.225 214 N HA -0.122 4.620 4.740 0.004 0.000 0.257 214 N C 1.018 176.469 175.510 -0.099 0.000 1.252 214 N CA 0.806 53.824 53.050 -0.053 0.000 0.833 214 N CB 0.951 39.430 38.487 -0.013 0.000 1.068 214 N HN 0.149 8.529 8.380 -0.000 0.000 0.468 215 T N -1.715 112.715 114.554 -0.208 0.000 3.086 215 T HA 0.004 4.356 4.350 0.004 0.000 0.250 215 T C 1.305 175.957 174.700 -0.080 0.000 1.074 215 T CA 0.793 62.791 62.100 -0.170 0.000 0.988 215 T CB -0.394 68.285 68.868 -0.315 0.000 0.988 215 T HN 0.559 8.799 8.240 -0.000 0.000 0.530 216 T N -2.350 112.166 114.554 -0.064 0.000 3.069 216 T HA 0.382 4.734 4.350 0.004 0.000 0.252 216 T C 1.546 176.242 174.700 -0.008 0.000 1.053 216 T CA 0.295 62.386 62.100 -0.014 0.000 0.964 216 T CB 0.062 68.933 68.868 0.006 0.000 1.005 216 T HN 0.369 8.609 8.240 -0.000 0.000 0.532 217 G N 0.521 109.314 108.800 -0.011 0.000 3.899 217 G HA2 0.263 4.225 3.960 0.004 0.000 0.293 217 G HA3 0.263 4.225 3.960 0.004 0.000 0.293 217 G C 0.393 175.293 174.900 -0.001 0.000 1.054 217 G CA -0.312 44.782 45.100 -0.009 0.000 0.846 217 G HN 0.235 8.525 8.290 -0.000 0.000 0.525 218 D N 1.448 121.852 120.400 0.006 0.000 2.178 218 D HA -0.064 4.578 4.640 0.004 0.000 0.201 218 D C 2.351 178.656 176.300 0.009 0.000 0.980 218 D CA 1.230 55.237 54.000 0.011 0.000 0.842 218 D CB 0.228 41.038 40.800 0.017 0.000 0.948 218 D HN 0.375 8.745 8.370 -0.000 0.000 0.472 219 A N -0.645 122.180 122.820 0.009 0.000 2.345 219 A HA 0.281 4.603 4.320 0.004 0.000 0.225 219 A C 1.323 178.902 177.584 -0.009 0.000 1.243 219 A CA -0.097 51.944 52.037 0.008 0.000 0.875 219 A CB 0.070 19.085 19.000 0.025 0.000 0.929 219 A HN 0.082 8.232 8.150 -0.000 0.000 0.502 220 L N -1.740 119.472 121.223 -0.018 0.000 2.615 220 L HA 0.376 4.719 4.340 0.004 0.000 0.206 220 L C 1.800 178.649 176.870 -0.036 0.000 1.581 220 L CA -0.451 54.365 54.840 -0.039 0.000 3.015 220 L CB -0.565 41.463 42.059 -0.052 0.000 2.814 220 L HN 0.141 8.371 8.230 -0.000 0.000 0.914 221 I N 0.049 120.599 120.570 -0.033 0.000 2.264 221 I HA -0.275 3.897 4.170 0.004 0.000 0.248 221 I C 2.721 178.831 176.117 -0.012 0.000 1.111 221 I CA 1.422 62.707 61.300 -0.025 0.000 1.382 221 I CB -0.274 37.715 38.000 -0.018 0.000 1.060 221 I HN 0.372 8.582 8.210 -0.000 0.000 0.418 222 R N 0.558 121.058 120.500 0.001 0.000 2.120 222 R HA -0.113 4.230 4.340 0.004 0.000 0.234 222 R C 2.208 178.504 176.300 -0.008 0.000 1.123 222 R CA 1.350 57.457 56.100 0.012 0.000 0.975 222 R CB -0.373 29.942 30.300 0.024 0.000 0.866 222 R HN 0.351 8.621 8.270 -0.000 0.000 0.446 223 A N 0.094 122.904 122.820 -0.016 0.000 2.235 223 A HA 0.052 4.374 4.320 0.004 0.000 0.208 223 A C 1.704 179.262 177.584 -0.042 0.000 1.172 223 A CA 1.149 53.172 52.037 -0.023 0.000 0.786 223 A CB -0.064 18.927 19.000 -0.014 0.000 0.804 223 A HN 0.422 8.572 8.150 -0.000 0.000 0.479 224 G N -1.410 107.359 108.800 -0.051 0.000 3.324 224 G HA2 0.434 4.397 3.960 0.004 0.000 0.251 224 G HA3 0.434 4.397 3.960 0.004 0.000 0.251 224 G C -0.081 174.754 174.900 -0.108 0.000 1.072 224 G CA 0.150 45.208 45.100 -0.070 0.000 0.787 224 G HN 0.183 8.473 8.290 -0.000 0.000 0.537 225 V N 1.147 120.989 119.914 -0.120 0.000 2.769 225 V HA 0.459 4.581 4.120 0.004 0.000 0.312 225 V C -2.082 173.820 176.094 -0.320 0.000 1.058 225 V CA -1.759 60.423 62.300 -0.197 0.000 0.952 225 V CB 2.574 34.357 31.823 -0.066 0.000 1.019 225 V HN 0.015 8.205 8.190 -0.000 0.000 0.445 226 P HA 0.157 4.577 4.420 -0.000 0.000 0.268 226 P C -0.764 176.282 177.300 -0.423 0.000 1.205 226 P CA -0.345 62.351 63.100 -0.673 0.000 0.771 226 P CB 0.236 31.192 31.700 -1.239 0.000 0.858 227 D N 1.387 121.680 120.400 -0.178 0.000 2.563 227 D HA 0.127 4.769 4.640 0.004 0.000 0.229 227 D C 1.703 178.082 176.300 0.132 0.000 1.159 227 D CA 2.131 56.122 54.000 -0.014 0.000 0.869 227 D CB -0.062 40.741 40.800 0.004 0.000 1.203 227 D HN 0.692 9.062 8.370 -0.000 0.000 0.478 228 G N 0.795 109.693 108.800 0.163 0.000 2.220 228 G HA2 -0.287 3.675 3.960 0.004 0.000 0.269 228 G HA3 -0.287 3.675 3.960 0.004 0.000 0.269 228 G C -0.202 174.907 174.900 0.348 0.000 0.977 228 G CA 0.180 45.416 45.100 0.227 0.000 0.634 228 G HN 0.397 8.687 8.290 -0.000 0.000 0.539 229 W N 2.217 123.546 121.300 0.048 0.000 2.335 229 W HA 0.623 5.285 4.660 0.003 0.000 0.306 229 W C 0.610 177.194 176.519 0.108 0.000 1.216 229 W CA -1.374 56.020 57.345 0.081 0.000 1.237 229 W CB 0.447 29.952 29.460 0.075 0.000 1.243 229 W HN 0.136 8.316 8.180 -0.000 0.000 0.493 230 E N 1.633 122.023 120.200 0.316 0.000 2.384 230 E HA 0.256 4.608 4.350 0.004 0.000 0.266 230 E C -0.707 176.147 176.600 0.423 0.000 1.012 230 E CA -0.023 56.538 56.400 0.268 0.000 0.901 230 E CB 1.239 31.007 29.700 0.114 0.000 0.967 230 E HN 0.073 8.433 8.360 -0.000 0.000 0.435 231 V N 1.957 122.063 119.914 0.320 0.000 2.588 231 V HA 0.486 4.608 4.120 0.004 0.000 0.304 231 V C -0.399 175.876 176.094 0.301 0.000 1.042 231 V CA -0.815 61.673 62.300 0.313 0.000 0.877 231 V CB 1.791 33.724 31.823 0.183 0.000 0.996 231 V HN 0.747 8.937 8.190 -0.000 0.000 0.425 232 A N 4.266 127.304 122.820 0.363 0.000 2.288 232 A HA 0.826 5.148 4.320 0.004 0.000 0.320 232 A C -0.540 177.128 177.584 0.140 0.000 1.217 232 A CA -0.411 51.785 52.037 0.264 0.000 0.840 232 A CB 0.562 19.784 19.000 0.370 0.000 1.179 232 A HN 0.921 9.071 8.150 -0.000 0.000 0.504 233 D N 1.390 121.847 120.400 0.096 0.000 2.579 233 D HA 0.631 5.273 4.640 0.004 0.000 0.257 233 D C -1.203 175.119 176.300 0.036 0.000 1.176 233 D CA -0.640 53.391 54.000 0.052 0.000 0.914 233 D CB 1.831 42.650 40.800 0.031 0.000 1.431 233 D HN 0.242 8.612 8.370 -0.000 0.000 0.454 234 K N 0.318 120.726 120.400 0.014 0.000 2.513 234 K HA 0.426 4.748 4.320 0.004 0.000 0.251 234 K C -0.928 175.662 176.600 -0.016 0.000 0.939 234 K CA -0.372 55.914 56.287 -0.000 0.000 0.793 234 K CB 1.673 34.170 32.500 -0.005 0.000 1.241 234 K HN 0.609 8.859 8.250 -0.000 0.000 0.431 235 T N -0.187 114.354 114.554 -0.022 0.000 2.927 235 T HA 0.877 5.229 4.350 0.004 0.000 0.281 235 T C 0.305 174.981 174.700 -0.040 0.000 0.998 235 T CA -0.646 61.428 62.100 -0.044 0.000 1.019 235 T CB 1.636 70.473 68.868 -0.052 0.000 1.061 235 T HN 0.584 8.824 8.240 -0.000 0.000 0.518 236 G N -0.949 107.808 108.800 -0.072 0.000 2.690 236 G HA2 0.763 4.725 3.960 0.004 0.000 0.291 236 G HA3 0.763 4.725 3.960 0.004 0.000 0.291 236 G C -1.646 173.170 174.900 -0.139 0.000 1.403 236 G CA -0.704 44.363 45.100 -0.054 0.000 0.864 236 G HN 1.162 9.452 8.290 -0.000 0.000 0.480 237 A N -0.808 121.951 122.820 -0.101 0.000 2.547 237 A HA 1.092 5.414 4.320 0.004 0.000 0.297 237 A C -0.276 177.309 177.584 0.003 0.000 1.056 237 A CA 0.254 52.195 52.037 -0.160 0.000 0.688 237 A CB 1.497 20.392 19.000 -0.176 0.000 1.282 237 A HN 2.581 10.731 8.150 -0.000 0.000 0.400 241 Y N 0.525 120.866 120.300 0.067 0.000 3.825 241 Y HA -0.106 4.440 4.550 -0.007 0.000 0.221 241 Y C 1.543 177.506 175.900 0.105 0.000 1.195 241 Y CA 1.714 59.856 58.100 0.070 0.000 1.699 241 Y CB -1.684 36.807 38.460 0.052 0.000 1.531 241 Y HN 2.221 10.501 8.280 -0.000 0.000 0.640 242 G N 0.179 109.102 108.800 0.205 0.000 2.321 242 G HA2 -0.333 3.630 3.960 0.004 0.000 0.287 242 G HA3 -0.333 3.630 3.960 0.004 0.000 0.287 242 G C 0.198 175.254 174.900 0.259 0.000 1.018 242 G CA 0.603 45.860 45.100 0.261 0.000 0.855 242 G HN 0.546 8.836 8.290 -0.000 0.000 0.507 243 T N -0.135 114.549 114.554 0.217 0.000 2.814 243 T HA 0.505 4.857 4.350 0.004 0.000 0.297 243 T C 0.437 175.107 174.700 -0.050 0.000 0.956 243 T CA 0.248 62.424 62.100 0.126 0.000 1.123 243 T CB 1.341 70.287 68.868 0.131 0.000 0.902 243 T HN 0.608 8.848 8.240 -0.000 0.000 0.528 244 R N 3.170 123.594 120.500 -0.126 0.000 2.510 244 R HA 0.435 4.777 4.340 0.004 0.000 0.294 244 R C -1.451 174.710 176.300 -0.231 0.000 1.056 244 R CA -0.531 55.366 56.100 -0.338 0.000 0.918 244 R CB 0.517 30.504 30.300 -0.522 0.000 1.187 244 R HN 0.472 8.742 8.270 -0.000 0.000 0.437 245 N N 1.838 120.414 118.700 -0.207 0.000 2.312 245 N HA 0.465 5.207 4.740 0.004 0.000 0.296 245 N C -1.760 173.673 175.510 -0.127 0.000 1.193 245 N CA -0.660 52.296 53.050 -0.155 0.000 0.773 245 N CB 2.057 40.487 38.487 -0.095 0.000 1.435 245 N HN 0.556 8.936 8.380 -0.000 0.000 0.484 246 D N 0.341 120.678 120.400 -0.105 0.000 2.937 246 D HA 0.435 5.077 4.640 0.004 0.000 0.215 246 D C -1.098 175.169 176.300 -0.054 0.000 1.274 246 D CA -0.462 53.495 54.000 -0.071 0.000 0.869 246 D CB 1.382 42.139 40.800 -0.071 0.000 1.675 246 D HN 0.491 8.861 8.370 -0.000 0.000 0.538 247 I N -0.239 120.313 120.570 -0.031 0.000 2.646 247 I HA 1.009 5.181 4.170 0.004 0.000 0.299 247 I C -0.947 175.166 176.117 -0.007 0.000 1.036 247 I CA -0.850 60.440 61.300 -0.017 0.000 1.074 247 I CB 2.112 40.109 38.000 -0.006 0.000 1.258 247 I HN 0.422 8.632 8.210 -0.000 0.000 0.430 248 A N 5.572 128.385 122.820 -0.012 0.000 2.612 248 A HA 0.818 5.140 4.320 0.004 0.000 0.293 248 A C -1.335 176.212 177.584 -0.062 0.000 1.075 248 A CA -0.615 51.415 52.037 -0.012 0.000 0.680 248 A CB 1.544 20.540 19.000 -0.006 0.000 1.279 248 A HN 0.730 8.880 8.150 -0.000 0.000 0.411 249 I N 1.202 121.709 120.570 -0.104 0.000 2.433 249 I HA 0.489 4.661 4.170 0.004 0.000 0.292 249 I C -0.931 174.942 176.117 -0.406 0.000 1.001 249 I CA -0.401 60.688 61.300 -0.351 0.000 1.119 249 I CB 1.775 39.468 38.000 -0.512 0.000 1.289 249 I HN 0.470 8.680 8.210 -0.000 0.000 0.438 250 I N 5.136 125.451 120.570 -0.425 0.000 2.410 250 I HA 0.288 4.460 4.170 0.004 0.000 0.286 250 I C -0.888 175.097 176.117 -0.221 0.000 1.009 250 I CA -0.439 60.788 61.300 -0.121 0.000 1.111 250 I CB 1.273 39.304 38.000 0.052 0.000 1.262 250 I HN 0.403 8.613 8.210 -0.000 0.000 0.443 251 W N 8.082 129.410 121.300 0.047 0.000 2.335 251 W HA 0.326 4.988 4.660 0.004 0.000 0.307 251 W C -2.164 174.193 176.519 -0.270 0.000 1.117 251 W CA -1.506 55.792 57.345 -0.077 0.000 1.228 251 W CB 1.644 31.052 29.460 -0.087 0.000 1.240 251 W HN 0.181 8.361 8.180 -0.000 0.000 0.468 255 K N 1.308 121.581 120.400 -0.213 0.000 2.469 255 K HA 0.668 4.990 4.320 0.004 0.000 0.254 255 K C 0.045 176.580 176.600 -0.108 0.000 0.939 255 K CA 0.013 56.230 56.287 -0.117 0.000 0.812 255 K CB 2.687 35.140 32.500 -0.078 0.000 1.301 255 K HN 0.325 8.575 8.250 -0.000 0.000 0.433 256 G N 1.496 110.266 108.800 -0.050 0.000 2.434 256 G HA2 -0.082 3.880 3.960 0.004 0.000 0.671 256 G HA3 -0.082 3.880 3.960 0.004 0.000 0.671 256 G C -1.822 173.074 174.900 -0.007 0.000 1.280 256 G CA -0.843 44.235 45.100 -0.038 0.000 0.975 256 G HN 0.564 8.854 8.290 -0.000 0.000 0.510 257 D N 2.059 122.446 120.400 -0.022 0.000 2.304 257 D HA 0.538 5.181 4.640 0.004 0.000 0.247 257 D C -1.499 174.740 176.300 -0.100 0.000 1.089 257 D CA -0.609 53.376 54.000 -0.024 0.000 0.910 257 D CB 1.218 42.002 40.800 -0.025 0.000 1.199 257 D HN 0.314 8.684 8.370 -0.000 0.000 0.426 258 P HA 0.023 4.443 4.420 -0.000 0.000 0.269 258 P C -0.439 176.685 177.300 -0.293 0.000 1.215 258 P CA -0.315 62.504 63.100 -0.469 0.000 0.780 258 P CB 0.714 31.870 31.700 -0.906 0.000 0.898 259 V N 2.982 122.740 119.914 -0.260 0.000 2.539 259 V HA 0.236 4.358 4.120 0.004 0.000 0.292 259 V C 0.570 176.537 176.094 -0.213 0.000 1.045 259 V CA -0.575 61.622 62.300 -0.172 0.000 0.945 259 V CB 1.782 33.555 31.823 -0.084 0.000 0.993 259 V HN 0.425 8.615 8.190 -0.000 0.000 0.464 260 V N 6.993 126.812 119.914 -0.158 0.000 2.459 260 V HA 0.777 4.899 4.120 0.004 0.000 0.295 260 V C -1.028 175.015 176.094 -0.084 0.000 1.029 260 V CA -0.484 61.742 62.300 -0.122 0.000 0.874 260 V CB 1.492 33.259 31.823 -0.094 0.000 0.985 260 V HN 0.745 8.935 8.190 -0.000 0.000 0.438 261 L N 6.524 127.711 121.223 -0.060 0.000 2.408 261 L HA 1.003 5.345 4.340 0.004 0.000 0.268 261 L C -0.345 176.516 176.870 -0.014 0.000 0.986 261 L CA -0.107 54.704 54.840 -0.048 0.000 0.820 261 L CB 1.841 43.868 42.059 -0.054 0.000 1.303 261 L HN 0.961 9.191 8.230 -0.000 0.000 0.411 262 A N 4.354 127.178 122.820 0.007 0.000 2.343 262 A HA 0.834 5.156 4.320 0.004 0.000 0.316 262 A C -1.560 175.988 177.584 -0.060 0.000 1.104 262 A CA -0.532 51.498 52.037 -0.011 0.000 0.768 262 A CB 1.709 20.721 19.000 0.020 0.000 1.213 262 A HN 0.563 8.713 8.150 -0.000 0.000 0.456 263 V N 4.020 123.872 119.914 -0.103 0.000 2.409 263 V HA 0.439 4.561 4.120 0.004 0.000 0.290 263 V C -0.570 175.388 176.094 -0.226 0.000 1.017 263 V CA -0.139 62.069 62.300 -0.152 0.000 0.841 263 V CB 1.032 32.786 31.823 -0.116 0.000 1.003 263 V HN 0.786 8.976 8.190 -0.000 0.000 0.426 264 L N 4.250 125.245 121.223 -0.380 0.000 2.354 264 L HA 0.939 5.281 4.340 0.004 0.000 0.269 264 L C -0.097 176.350 176.870 -0.705 0.000 1.005 264 L CA -0.421 54.056 54.840 -0.605 0.000 0.819 264 L CB 2.370 43.846 42.059 -0.972 0.000 1.311 264 L HN 0.741 8.971 8.230 -0.000 0.000 0.423 265 S N 0.450 115.873 115.700 -0.461 0.000 2.537 265 S HA 0.869 5.341 4.470 0.004 0.000 0.270 265 S C -0.871 173.832 174.600 0.172 0.000 1.142 265 S CA -0.530 57.606 58.200 -0.107 0.000 0.870 265 S CB 2.053 65.220 63.200 -0.055 0.000 1.112 265 S HN 0.756 9.066 8.310 -0.000 0.000 0.466 266 S N 1.610 117.526 115.700 0.360 0.000 2.671 266 S HA 0.850 5.322 4.470 0.004 0.000 0.277 266 S C -1.019 173.724 174.600 0.238 0.000 1.165 266 S CA -1.195 57.182 58.200 0.294 0.000 0.822 266 S CB 1.527 64.907 63.200 0.300 0.000 1.150 266 S HN 0.966 9.276 8.310 -0.000 0.000 0.479 267 R N -0.257 120.382 120.500 0.231 0.000 2.888 267 R HA 0.467 4.809 4.340 0.004 0.000 0.264 267 R C -0.554 175.888 176.300 0.237 0.000 1.045 267 R CA -0.584 55.637 56.100 0.202 0.000 0.962 267 R CB 0.996 31.404 30.300 0.180 0.000 1.210 267 R HN 0.838 9.108 8.270 -0.000 0.000 0.479 268 D N -0.121 120.392 120.400 0.187 0.000 2.349 268 D HA -0.002 4.641 4.640 0.004 0.000 0.215 268 D C -0.354 176.101 176.300 0.258 0.000 1.016 268 D CA 0.608 54.728 54.000 0.200 0.000 0.870 268 D CB 0.301 41.170 40.800 0.115 0.000 0.917 268 D HN 0.100 8.470 8.370 -0.000 0.000 0.524 269 K N 0.303 120.800 120.400 0.162 0.000 2.244 269 K HA 0.270 4.592 4.320 0.004 0.000 0.260 269 K C 0.639 177.002 176.600 -0.394 0.000 0.951 269 K CA -0.787 55.491 56.287 -0.015 0.000 0.826 269 K CB 2.485 34.968 32.500 -0.028 0.000 1.108 269 K HN -0.256 7.994 8.250 -0.000 0.000 0.433 270 K N 1.346 121.218 120.400 -0.880 0.000 2.077 270 K HA -0.241 4.081 4.320 0.004 0.000 0.213 270 K C 1.017 177.295 176.600 -0.537 0.000 1.051 270 K CA 2.414 57.941 56.287 -1.268 0.000 0.929 270 K CB 0.114 32.188 32.500 -0.710 0.000 0.715 270 K HN 0.696 8.946 8.250 -0.000 0.000 0.451 271 D N -0.868 119.358 120.400 -0.289 0.000 2.349 271 D HA 0.056 4.698 4.640 0.004 0.000 0.214 271 D C 0.165 176.403 176.300 -0.103 0.000 1.063 271 D CA -0.052 53.855 54.000 -0.156 0.000 0.847 271 D CB -0.186 40.549 40.800 -0.109 0.000 0.933 271 D HN 0.117 8.487 8.370 -0.000 0.000 0.513 272 A N 0.311 123.074 122.820 -0.095 0.000 2.555 272 A HA 0.276 4.599 4.320 0.004 0.000 0.233 272 A C 0.467 178.040 177.584 -0.019 0.000 1.060 272 A CA 0.168 52.186 52.037 -0.032 0.000 0.759 272 A CB 0.314 19.322 19.000 0.012 0.000 0.995 272 A HN 0.147 8.297 8.150 -0.000 0.000 0.506 273 K N -0.429 119.951 120.400 -0.034 0.000 2.393 273 K HA 0.678 5.000 4.320 0.004 0.000 0.241 273 K C -0.729 175.848 176.600 -0.039 0.000 1.055 273 K CA -0.302 55.909 56.287 -0.126 0.000 0.951 273 K CB 0.801 33.168 32.500 -0.221 0.000 1.285 273 K HN 0.721 8.971 8.250 -0.000 0.000 0.500 274 Y N -2.138 118.183 120.300 0.036 0.000 2.659 274 Y HA 0.624 5.175 4.550 0.002 0.000 0.333 274 Y C -0.887 175.045 175.900 0.053 0.000 1.064 274 Y CA -1.434 56.694 58.100 0.046 0.000 1.141 274 Y CB 1.029 39.502 38.460 0.023 0.000 1.316 274 Y HN 0.288 8.568 8.280 -0.000 0.000 0.509 275 D N 0.526 121.105 120.400 0.298 0.000 2.505 275 D HA 0.208 4.850 4.640 0.004 0.000 0.250 275 D C -0.143 176.234 176.300 0.128 0.000 1.164 275 D CA -0.334 53.799 54.000 0.222 0.000 0.870 275 D CB 1.327 42.321 40.800 0.324 0.000 1.160 275 D HN 0.651 9.021 8.370 -0.000 0.000 0.549 276 D N 2.384 122.885 120.400 0.169 0.000 2.172 276 D HA -0.232 4.410 4.640 0.004 0.000 0.196 276 D C 1.577 177.842 176.300 -0.058 0.000 0.999 276 D CA 1.137 55.167 54.000 0.050 0.000 0.856 276 D CB 0.284 41.128 40.800 0.074 0.000 0.934 276 D HN 0.374 8.744 8.370 -0.000 0.000 0.453 277 K N 0.595 120.972 120.400 -0.039 0.000 2.209 277 K HA -0.112 4.210 4.320 0.004 0.000 0.204 277 K C 1.888 178.273 176.600 -0.358 0.000 1.048 277 K CA 0.384 56.629 56.287 -0.069 0.000 0.940 277 K CB -0.462 32.131 32.500 0.155 0.000 0.729 277 K HN 0.092 8.342 8.250 -0.000 0.000 0.451 278 L N 0.424 121.149 121.223 -0.830 0.000 2.042 278 L HA -0.153 4.189 4.340 0.004 0.000 0.210 278 L C 1.683 178.310 176.870 -0.405 0.000 1.076 278 L CA 1.651 55.870 54.840 -1.036 0.000 0.749 278 L CB -0.459 41.011 42.059 -0.982 0.000 0.893 278 L HN 0.172 8.402 8.230 -0.000 0.000 0.432 279 I N 0.198 120.609 120.570 -0.265 0.000 2.252 279 I HA -0.186 3.987 4.170 0.004 0.000 0.245 279 I C 2.756 178.809 176.117 -0.107 0.000 1.102 279 I CA 1.370 62.577 61.300 -0.155 0.000 1.385 279 I CB -2.313 35.608 38.000 -0.132 0.000 1.064 279 I HN 0.343 8.553 8.210 -0.000 0.000 0.414 280 A N 0.617 123.376 122.820 -0.102 0.000 1.908 280 A HA -0.178 4.144 4.320 0.004 0.000 0.218 280 A C 2.215 179.765 177.584 -0.056 0.000 1.181 280 A CA 1.499 53.498 52.037 -0.063 0.000 0.627 280 A CB -0.451 18.525 19.000 -0.040 0.000 0.818 280 A HN 0.374 8.524 8.150 -0.000 0.000 0.445 281 E N -0.165 119.995 120.200 -0.067 0.000 2.107 281 E HA -0.058 4.294 4.350 0.004 0.000 0.191 281 E C 2.352 178.935 176.600 -0.029 0.000 0.982 281 E CA 1.113 57.493 56.400 -0.032 0.000 0.809 281 E CB -0.619 29.096 29.700 0.026 0.000 0.756 281 E HN 0.566 8.926 8.360 -0.000 0.000 0.459 282 A N 0.898 123.711 122.820 -0.011 0.000 1.902 282 A HA -0.174 4.149 4.320 0.004 0.000 0.217 282 A C 2.459 180.107 177.584 0.107 0.000 1.181 282 A CA 2.111 54.215 52.037 0.112 0.000 0.623 282 A CB -0.940 18.111 19.000 0.085 0.000 0.818 282 A HN 0.233 8.383 8.150 -0.000 0.000 0.443 283 T N 0.028 114.594 114.554 0.020 0.000 2.684 283 T HA -0.159 4.193 4.350 0.004 0.000 0.267 283 T C 1.933 176.621 174.700 -0.021 0.000 1.036 283 T CA 1.868 63.968 62.100 0.001 0.000 1.148 283 T CB -0.237 68.614 68.868 -0.029 0.000 0.863 283 T HN 0.565 8.805 8.240 -0.000 0.000 0.436 284 K N 0.525 120.896 120.400 -0.048 0.000 2.103 284 K HA -0.061 4.261 4.320 0.004 0.000 0.207 284 K C 2.275 178.822 176.600 -0.089 0.000 1.048 284 K CA 0.895 57.136 56.287 -0.077 0.000 0.930 284 K CB -0.426 32.027 32.500 -0.078 0.000 0.716 284 K HN 0.151 8.401 8.250 -0.000 0.000 0.444 285 V N 0.740 120.589 119.914 -0.109 0.000 2.332 285 V HA -0.241 3.881 4.120 0.004 0.000 0.248 285 V C 2.202 178.224 176.094 -0.120 0.000 1.055 285 V CA 1.585 63.749 62.300 -0.226 0.000 1.038 285 V CB -0.386 31.096 31.823 -0.567 0.000 0.651 285 V HN 0.099 8.289 8.190 -0.000 0.000 0.450 286 V N -0.762 119.169 119.914 0.028 0.000 2.358 286 V HA -0.259 3.863 4.120 0.004 0.000 0.246 286 V C 2.489 178.589 176.094 0.010 0.000 1.047 286 V CA 1.830 64.186 62.300 0.093 0.000 1.035 286 V CB -0.556 31.329 31.823 0.102 0.000 0.658 286 V HN 0.398 8.588 8.190 -0.000 0.000 0.452 287 M N -0.594 118.992 119.600 -0.024 0.000 2.175 287 M HA -0.092 4.390 4.480 0.004 0.000 0.264 287 M C 2.131 178.404 176.300 -0.044 0.000 1.063 287 M CA 1.500 56.775 55.300 -0.041 0.000 1.119 287 M CB -1.238 31.302 32.600 -0.099 0.000 1.377 287 M HN 0.202 8.492 8.290 -0.000 0.000 0.415 288 K N 0.240 120.602 120.400 -0.063 0.000 2.057 288 K HA -0.028 4.294 4.320 0.004 0.000 0.207 288 K C 1.843 178.418 176.600 -0.042 0.000 1.049 288 K CA 1.543 57.793 56.287 -0.061 0.000 0.931 288 K CB -0.197 32.253 32.500 -0.085 0.000 0.714 288 K HN 0.298 8.548 8.250 -0.000 0.000 0.440 289 A N 0.632 123.428 122.820 -0.040 0.000 2.067 289 A HA -0.068 4.254 4.320 0.004 0.000 0.219 289 A C 2.061 179.644 177.584 -0.003 0.000 1.158 289 A CA 1.025 53.052 52.037 -0.018 0.000 0.661 289 A CB -0.200 18.801 19.000 0.003 0.000 0.801 289 A HN 0.274 8.424 8.150 -0.000 0.000 0.452 290 L N -1.502 119.721 121.223 -0.000 0.000 2.515 290 L HA 0.151 4.493 4.340 0.004 0.000 0.223 290 L C 0.659 177.543 176.870 0.023 0.000 1.079 290 L CA -0.239 54.606 54.840 0.007 0.000 0.857 290 L CB -0.114 41.949 42.059 0.006 0.000 1.050 290 L HN 0.236 8.466 8.230 -0.000 0.000 0.476 291 N N 0.000 118.715 118.700 0.025 0.000 1.763 291 N HA 0.000 4.742 4.740 0.004 0.000 0.220 291 N CA 0.000 53.080 53.050 0.051 0.000 0.885 291 N CB 0.000 38.517 38.487 0.049 0.000 1.341 291 N HN 0.000 8.380 8.380 -0.000 0.000 0.667