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 3id7_1_A DATA FIRST_RESID 1 DATA SEQUENCE MTSLEKAREL LREFPVVDGH NDLPWALREQ VRYDLDARDI AADQSAHLHT DATA SEQUENCE DLARLRSGGV GAQYWSVYVR SDLPGAVTAT LEQIDCVRRL IDRHPGELRA DATA SEQUENCE ALTAADMEAA RAEGRIASLM GAEGGHSIDN SLATLRALYA LGVRYMTLTH DATA SEQUENCE NDNNAWADSA TDEPGVGGLS AFGREVVREM NREGMLVDLS HVAATTMRDA DATA SEQUENCE LDTSTAPVIF SHSSSRAVCD HPRNIPDDVL ERLSANGGMA MVTFVPKFVL DATA SEQUENCE QAAVDWTAEA DDNMRAHGFH HLDSSPEAMK VHAAFEERVP RPVATVSTVA DATA SEQUENCE DHLDHMREVA GVDHLGIGGD YDGTPFTPDG LGDVSGYPNL IAELLDRGWS DATA SEQUENCE QSDLAKLTWK NAVRVLDAAE DVSRGLRAAR GPSNATIEQL D 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 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.307 176.300 0.012 0.000 1.140 1 M CA 0.000 55.306 55.300 0.011 0.000 0.988 1 M CB 0.000 32.607 32.600 0.012 0.000 1.302 2 T N -0.905 113.655 114.554 0.010 0.000 2.788 2 T HA 0.380 4.724 4.350 -0.010 0.000 0.287 2 T C 0.731 175.439 174.700 0.013 0.000 1.007 2 T CA 0.091 62.197 62.100 0.010 0.000 1.005 2 T CB 1.021 69.893 68.868 0.006 0.000 1.012 2 T HN 0.650 8.890 8.240 -0.000 0.000 0.530 3 S N 0.254 115.962 115.700 0.013 0.000 2.399 3 S HA -0.071 4.393 4.470 -0.010 0.000 0.231 3 S C 1.784 176.392 174.600 0.014 0.000 1.022 3 S CA 0.738 58.948 58.200 0.016 0.000 0.983 3 S CB -0.599 62.609 63.200 0.013 0.000 0.803 3 S HN 0.614 8.924 8.310 -0.000 0.000 0.480 4 L N 2.147 123.376 121.223 0.009 0.000 2.056 4 L HA -0.029 4.305 4.340 -0.010 0.000 0.207 4 L C 2.017 178.896 176.870 0.014 0.000 1.078 4 L CA 1.755 56.600 54.840 0.009 0.000 0.749 4 L CB -0.722 41.339 42.059 0.003 0.000 0.901 4 L HN 0.243 8.473 8.230 -0.000 0.000 0.433 5 E N -0.679 119.529 120.200 0.013 0.000 2.077 5 E HA -0.273 4.071 4.350 -0.010 0.000 0.193 5 E C 2.062 178.673 176.600 0.019 0.000 0.989 5 E CA 1.165 57.573 56.400 0.014 0.000 0.800 5 E CB -0.096 29.611 29.700 0.011 0.000 0.746 5 E HN 0.245 8.605 8.360 -0.000 0.000 0.452 6 K N 1.388 121.801 120.400 0.022 0.000 2.057 6 K HA -0.088 4.226 4.320 -0.010 0.000 0.207 6 K C 1.890 178.512 176.600 0.037 0.000 1.049 6 K CA 1.363 57.668 56.287 0.030 0.000 0.931 6 K CB -0.411 32.109 32.500 0.033 0.000 0.714 6 K HN 0.097 8.347 8.250 -0.000 0.000 0.440 7 A N 1.037 123.879 122.820 0.036 0.000 1.908 7 A HA -0.192 4.122 4.320 -0.010 0.000 0.218 7 A C 2.135 179.747 177.584 0.046 0.000 1.181 7 A CA 1.795 53.858 52.037 0.044 0.000 0.627 7 A CB -0.512 18.510 19.000 0.036 0.000 0.818 7 A HN 0.363 8.513 8.150 -0.000 0.000 0.445 8 R N -0.540 119.982 120.500 0.036 0.000 2.096 8 R HA -0.127 4.207 4.340 -0.010 0.000 0.235 8 R C 2.132 178.445 176.300 0.023 0.000 1.127 8 R CA 1.497 57.615 56.100 0.031 0.000 0.968 8 R CB -0.343 29.970 30.300 0.022 0.000 0.861 8 R HN 0.685 8.955 8.270 -0.000 0.000 0.440 9 E N 0.733 120.947 120.200 0.023 0.000 2.077 9 E HA -0.152 4.192 4.350 -0.010 0.000 0.193 9 E C 2.093 178.709 176.600 0.026 0.000 0.989 9 E CA 0.960 57.370 56.400 0.016 0.000 0.800 9 E CB -0.040 29.672 29.700 0.019 0.000 0.746 9 E HN 0.281 8.641 8.360 -0.000 0.000 0.452 10 L N 0.565 121.819 121.223 0.051 0.000 2.083 10 L HA -0.187 4.147 4.340 -0.010 0.000 0.209 10 L C 2.427 179.350 176.870 0.088 0.000 1.083 10 L CA 0.817 55.710 54.840 0.087 0.000 0.752 10 L CB -0.331 41.789 42.059 0.103 0.000 0.899 10 L HN 0.183 8.413 8.230 -0.000 0.000 0.433 11 L N -0.741 120.519 121.223 0.063 0.000 2.201 11 L HA -0.145 4.189 4.340 -0.010 0.000 0.212 11 L C 2.741 179.600 176.870 -0.018 0.000 1.105 11 L CA 0.889 55.758 54.840 0.049 0.000 0.775 11 L CB -0.404 41.686 42.059 0.053 0.000 0.913 11 L HN 0.201 8.431 8.230 -0.000 0.000 0.440 12 R N -0.399 120.080 120.500 -0.036 0.000 2.148 12 R HA -0.115 4.219 4.340 -0.010 0.000 0.227 12 R C 2.033 178.225 176.300 -0.180 0.000 1.103 12 R CA 0.837 56.884 56.100 -0.088 0.000 0.983 12 R CB 0.037 30.299 30.300 -0.064 0.000 0.874 12 R HN 0.343 8.613 8.270 -0.000 0.000 0.451 13 E N -0.553 119.537 120.200 -0.183 0.000 2.075 13 E HA 0.013 4.358 4.350 -0.010 0.000 0.190 13 E C -0.109 176.026 176.600 -0.775 0.000 0.969 13 E CA 0.860 57.021 56.400 -0.397 0.000 0.815 13 E CB 0.271 29.843 29.700 -0.214 0.000 0.776 13 E HN 0.099 8.459 8.360 -0.000 0.000 0.457 14 F N 2.173 122.034 119.950 -0.148 0.000 2.691 14 F HA 0.292 4.818 4.527 -0.001 0.000 0.371 14 F C -2.166 173.608 175.800 -0.042 0.000 1.159 14 F CA -2.544 55.355 58.000 -0.169 0.000 1.174 14 F CB 1.575 40.564 39.000 -0.019 0.000 1.419 14 F HN -0.169 8.131 8.300 -0.000 0.000 0.514 15 P HA 0.098 4.518 4.420 -0.000 0.000 0.274 15 P C -0.226 177.234 177.300 0.267 0.000 1.260 15 P CA -0.130 63.022 63.100 0.087 0.000 0.793 15 P CB 1.455 33.146 31.700 -0.016 0.000 1.048 16 V N 0.877 120.856 119.914 0.108 0.000 2.555 16 V HA 0.049 4.164 4.120 -0.010 0.000 0.286 16 V C 0.614 176.743 176.094 0.059 0.000 1.044 16 V CA -0.128 62.185 62.300 0.023 0.000 1.026 16 V CB 1.083 32.712 31.823 -0.323 0.000 0.981 16 V HN 0.205 8.395 8.190 -0.000 0.000 0.480 17 V N 5.008 124.960 119.914 0.063 0.000 2.294 17 V HA 0.236 4.350 4.120 -0.010 0.000 0.272 17 V C 0.221 176.314 176.094 -0.003 0.000 1.027 17 V CA -0.435 61.864 62.300 -0.001 0.000 0.823 17 V CB 1.159 32.926 31.823 -0.095 0.000 1.030 17 V HN 0.908 9.098 8.190 -0.000 0.000 0.457 18 D N 3.909 124.282 120.400 -0.046 0.000 2.264 18 D HA 0.182 4.816 4.640 -0.010 0.000 0.250 18 D C 1.134 177.501 176.300 0.112 0.000 1.113 18 D CA 0.131 54.126 54.000 -0.008 0.000 0.871 18 D CB 2.308 43.086 40.800 -0.037 0.000 1.167 18 D HN 0.568 8.938 8.370 -0.000 0.000 0.447 19 G N 2.248 111.120 108.800 0.119 0.000 2.650 19 G HA2 -0.140 3.814 3.960 -0.010 0.000 0.214 19 G HA3 -0.140 3.814 3.960 -0.010 0.000 0.214 19 G C 0.456 175.519 174.900 0.271 0.000 1.136 19 G CA 0.475 45.667 45.100 0.154 0.000 0.789 19 G HN 0.678 8.968 8.290 -0.000 0.000 0.536 20 H N -1.033 118.067 119.070 0.051 0.000 3.235 20 H HA 0.341 4.891 4.556 -0.010 0.000 0.324 20 H C -1.758 173.556 175.328 -0.024 0.000 1.059 20 H CA -0.760 55.292 56.048 0.007 0.000 1.497 20 H CB 0.654 30.253 29.762 -0.272 0.000 1.986 20 H HN 0.040 8.320 8.280 -0.000 0.000 0.444 21 N N 3.463 122.041 118.700 -0.202 0.000 2.346 21 N HA 0.118 4.852 4.740 -0.010 0.000 0.289 21 N C -0.866 174.665 175.510 0.035 0.000 1.027 21 N CA -0.412 52.637 53.050 -0.001 0.000 0.864 21 N CB 1.803 40.310 38.487 0.034 0.000 1.370 21 N HN 0.675 9.055 8.380 -0.000 0.000 0.481 22 D N 3.488 123.952 120.400 0.107 0.000 2.434 22 D HA 0.006 4.640 4.640 -0.010 0.000 0.232 22 D C 1.637 178.120 176.300 0.305 0.000 1.166 22 D CA -0.229 53.883 54.000 0.187 0.000 0.830 22 D CB 0.428 41.343 40.800 0.191 0.000 0.960 22 D HN 0.496 8.866 8.370 -0.000 0.000 0.497 23 L N 1.692 123.123 121.223 0.346 0.000 2.043 23 L HA -0.106 4.228 4.340 -0.010 0.000 0.212 23 L C -0.990 175.994 176.870 0.189 0.000 1.075 23 L CA 2.226 57.225 54.840 0.265 0.000 0.752 23 L CB -1.211 41.015 42.059 0.279 0.000 0.891 23 L HN -0.021 8.209 8.230 -0.000 0.000 0.432 24 P HA -0.237 4.183 4.420 -0.000 0.000 0.215 24 P C 1.547 179.014 177.300 0.280 0.000 1.157 24 P CA 1.896 65.129 63.100 0.222 0.000 0.868 24 P CB -0.511 31.326 31.700 0.229 0.000 0.788 25 W N 0.749 122.142 121.300 0.156 0.000 2.358 25 W HA -0.184 4.470 4.660 -0.011 0.000 0.303 25 W C 1.998 178.546 176.519 0.049 0.000 1.208 25 W CA 1.638 59.066 57.345 0.139 0.000 1.274 25 W CB -0.572 29.030 29.460 0.238 0.000 1.138 25 W HN -0.090 8.090 8.180 -0.000 0.000 0.515 26 A N 0.925 123.794 122.820 0.081 0.000 1.933 26 A HA -0.192 4.122 4.320 -0.010 0.000 0.218 26 A C 2.154 179.632 177.584 -0.177 0.000 1.175 26 A CA 1.739 53.738 52.037 -0.064 0.000 0.628 26 A CB -1.126 17.903 19.000 0.047 0.000 0.814 26 A HN 0.373 8.523 8.150 -0.000 0.000 0.444 27 L N -1.235 119.917 121.223 -0.118 0.000 2.093 27 L HA -0.131 4.203 4.340 -0.010 0.000 0.208 27 L C 2.770 179.400 176.870 -0.400 0.000 1.085 27 L CA 1.506 56.253 54.840 -0.155 0.000 0.755 27 L CB -0.442 41.616 42.059 -0.002 0.000 0.904 27 L HN 0.463 8.693 8.230 -0.000 0.000 0.435 28 R N 0.160 120.290 120.500 -0.617 0.000 2.073 28 R HA -0.160 4.174 4.340 -0.010 0.000 0.234 28 R C 2.164 177.993 176.300 -0.785 0.000 1.134 28 R CA 1.420 56.856 56.100 -1.106 0.000 0.952 28 R CB 0.045 29.776 30.300 -0.949 0.000 0.850 28 R HN 0.280 8.550 8.270 -0.000 0.000 0.433 29 E N 0.514 120.261 120.200 -0.756 0.000 2.072 29 E HA -0.157 4.188 4.350 -0.010 0.000 0.190 29 E C 2.081 178.463 176.600 -0.363 0.000 0.982 29 E CA 1.114 57.158 56.400 -0.592 0.000 0.803 29 E CB -0.109 29.195 29.700 -0.659 0.000 0.755 29 E HN 0.521 8.881 8.360 -0.000 0.000 0.453 30 Q N 0.152 119.765 119.800 -0.312 0.000 2.049 30 Q HA -0.055 4.279 4.340 -0.010 0.000 0.198 30 Q C 1.806 177.676 176.000 -0.217 0.000 0.971 30 Q CA 1.692 57.360 55.803 -0.225 0.000 0.833 30 Q CB 0.418 29.041 28.738 -0.191 0.000 0.896 30 Q HN 0.243 8.513 8.270 -0.000 0.000 0.434 31 V N -3.574 116.199 119.914 -0.235 0.000 3.199 31 V HA 0.350 4.464 4.120 -0.010 0.000 0.331 31 V C 0.267 176.242 176.094 -0.197 0.000 1.446 31 V CA -0.482 61.705 62.300 -0.189 0.000 1.120 31 V CB 0.317 32.050 31.823 -0.150 0.000 1.051 31 V HN 0.335 8.525 8.190 -0.000 0.000 0.495 32 R N 1.082 121.395 120.500 -0.312 0.000 3.322 32 R HA -0.263 4.071 4.340 -0.010 0.000 0.253 32 R C -0.027 176.151 176.300 -0.204 0.000 0.987 32 R CA 1.081 56.962 56.100 -0.364 0.000 0.666 32 R CB -1.685 28.501 30.300 -0.190 0.000 1.072 32 R HN 0.900 9.170 8.270 -0.000 0.000 0.447 33 Y N -3.534 116.704 120.300 -0.102 0.000 4.668 33 Y HA -0.286 4.258 4.550 -0.010 0.000 0.234 33 Y C 0.378 176.234 175.900 -0.073 0.000 1.056 33 Y CA 1.141 59.191 58.100 -0.084 0.000 2.025 33 Y CB -1.789 36.628 38.460 -0.073 0.000 1.613 33 Y HN 0.436 8.716 8.280 -0.000 0.000 0.653 34 D N 1.514 121.932 120.400 0.030 0.000 2.508 34 D HA 0.195 4.830 4.640 -0.010 0.000 0.224 34 D C 1.106 177.403 176.300 -0.004 0.000 1.171 34 D CA 0.080 54.081 54.000 0.002 0.000 1.006 34 D CB -0.121 40.660 40.800 -0.032 0.000 1.073 34 D HN 0.450 8.820 8.370 -0.000 0.000 0.513 35 L N 1.657 122.888 121.223 0.014 0.000 2.187 35 L HA -0.157 4.177 4.340 -0.010 0.000 0.213 35 L C 1.552 178.426 176.870 0.007 0.000 1.100 35 L CA 0.831 55.678 54.840 0.011 0.000 0.765 35 L CB -0.158 41.906 42.059 0.009 0.000 0.904 35 L HN 0.267 8.497 8.230 -0.000 0.000 0.437 36 D N 0.453 120.851 120.400 -0.004 0.000 2.219 36 D HA -0.107 4.527 4.640 -0.010 0.000 0.205 36 D C 2.133 178.428 176.300 -0.007 0.000 0.970 36 D CA 1.338 55.337 54.000 -0.002 0.000 0.851 36 D CB 0.191 40.985 40.800 -0.009 0.000 0.943 36 D HN 0.344 8.714 8.370 -0.000 0.000 0.488 37 A N 0.235 123.040 122.820 -0.025 0.000 2.167 37 A HA -0.007 4.307 4.320 -0.010 0.000 0.214 37 A C 1.481 179.032 177.584 -0.056 0.000 1.151 37 A CA 0.665 52.673 52.037 -0.048 0.000 0.735 37 A CB 0.240 19.194 19.000 -0.077 0.000 0.802 37 A HN -0.053 8.097 8.150 -0.000 0.000 0.467 38 R N 0.317 120.799 120.500 -0.030 0.000 2.637 38 R HA 0.082 4.417 4.340 -0.010 0.000 0.446 38 R C -1.094 175.217 176.300 0.018 0.000 1.024 38 R CA -0.433 55.659 56.100 -0.013 0.000 1.080 38 R CB -0.510 29.767 30.300 -0.039 0.000 1.421 38 R HN 0.465 8.735 8.270 -0.000 0.000 0.593 39 D N 1.883 122.302 120.400 0.032 0.000 2.554 39 D HA -0.107 4.527 4.640 -0.010 0.000 0.251 39 D C 1.583 177.900 176.300 0.028 0.000 1.213 39 D CA 0.189 54.227 54.000 0.063 0.000 0.900 39 D CB 0.550 41.393 40.800 0.071 0.000 1.135 39 D HN 0.442 8.812 8.370 -0.000 0.000 0.522 40 I N 1.180 121.738 120.570 -0.021 0.000 3.334 40 I HA 0.056 4.220 4.170 -0.010 0.000 0.282 40 I C 1.481 177.487 176.117 -0.185 0.000 1.313 40 I CA 0.300 61.532 61.300 -0.113 0.000 1.396 40 I CB -0.169 37.734 38.000 -0.162 0.000 1.054 40 I HN 0.312 8.522 8.210 -0.000 0.000 0.495 41 A N 0.972 123.712 122.820 -0.135 0.000 2.218 41 A HA 0.658 4.972 4.320 -0.010 0.000 0.209 41 A C 1.287 178.863 177.584 -0.013 0.000 1.168 41 A CA 0.522 52.513 52.037 -0.076 0.000 0.804 41 A CB -0.288 18.764 19.000 0.086 0.000 0.834 41 A HN 0.575 8.725 8.150 -0.000 0.000 0.482 42 A N -0.697 122.121 122.820 -0.004 0.000 2.344 42 A HA 0.551 4.865 4.320 -0.010 0.000 0.307 42 A C -0.898 176.690 177.584 0.007 0.000 1.151 42 A CA -0.538 51.505 52.037 0.009 0.000 0.842 42 A CB 0.509 19.523 19.000 0.023 0.000 1.350 42 A HN 0.100 8.250 8.150 -0.000 0.000 0.459 43 D N 0.469 120.875 120.400 0.010 0.000 2.346 43 D HA 0.142 4.776 4.640 -0.010 0.000 0.260 43 D C -0.216 176.094 176.300 0.017 0.000 1.252 43 D CA 0.230 54.234 54.000 0.007 0.000 0.895 43 D CB 0.780 41.579 40.800 -0.001 0.000 1.097 43 D HN 0.316 8.686 8.370 -0.000 0.000 0.489 44 Q N 2.189 122.003 119.800 0.024 0.000 2.175 44 Q HA 0.112 4.446 4.340 -0.010 0.000 0.225 44 Q C 1.373 177.378 176.000 0.009 0.000 0.837 44 Q CA -0.100 55.735 55.803 0.052 0.000 1.032 44 Q CB 0.585 29.368 28.738 0.075 0.000 1.137 44 Q HN 0.380 8.650 8.270 -0.000 0.000 0.483 45 S N 0.961 116.648 115.700 -0.023 0.000 2.419 45 S HA -0.159 4.305 4.470 -0.010 0.000 0.235 45 S C 1.796 176.339 174.600 -0.095 0.000 1.019 45 S CA 1.174 59.352 58.200 -0.036 0.000 0.982 45 S CB 0.113 63.294 63.200 -0.031 0.000 0.789 45 S HN 0.542 8.852 8.310 -0.000 0.000 0.490 46 A N 0.557 123.248 122.820 -0.214 0.000 2.119 46 A HA -0.037 4.277 4.320 -0.010 0.000 0.216 46 A C 1.612 178.915 177.584 -0.470 0.000 1.152 46 A CA 0.857 52.666 52.037 -0.380 0.000 0.708 46 A CB -0.276 18.394 19.000 -0.549 0.000 0.805 46 A HN 0.576 8.726 8.150 -0.000 0.000 0.460 47 H N -2.120 116.930 119.070 -0.033 0.000 2.926 47 H HA 0.433 4.983 4.556 -0.010 0.000 0.249 47 H C -0.042 175.238 175.328 -0.080 0.000 0.963 47 H CA 0.171 56.186 56.048 -0.054 0.000 1.158 47 H CB 0.346 30.080 29.762 -0.047 0.000 1.445 47 H HN 0.302 8.582 8.280 -0.000 0.000 0.452 48 L N -0.288 120.964 121.223 0.048 0.000 2.327 48 L HA 0.327 4.662 4.340 -0.010 0.000 0.258 48 L C 0.847 177.736 176.870 0.032 0.000 1.024 48 L CA -0.727 54.111 54.840 -0.002 0.000 0.825 48 L CB 2.581 44.673 42.059 0.055 0.000 1.386 48 L HN 0.028 8.258 8.230 -0.000 0.000 0.417 49 H N -1.333 117.780 119.070 0.073 0.000 2.535 49 H HA 0.095 4.644 4.556 -0.010 0.000 0.273 49 H C -0.336 174.975 175.328 -0.029 0.000 0.983 49 H CA 0.278 56.341 56.048 0.025 0.000 1.238 49 H CB 0.492 30.335 29.762 0.135 0.000 1.412 49 H HN 0.475 8.755 8.280 -0.000 0.000 0.562 50 T N 1.191 115.846 114.554 0.167 0.000 2.841 50 T HA 0.369 4.713 4.350 -0.010 0.000 0.283 50 T C -0.933 173.830 174.700 0.104 0.000 1.000 50 T CA -0.987 61.200 62.100 0.145 0.000 0.977 50 T CB 2.045 71.071 68.868 0.264 0.000 0.979 50 T HN 0.354 8.594 8.240 -0.000 0.000 0.446 51 D N 0.711 121.160 120.400 0.082 0.000 2.653 51 D HA 0.247 4.881 4.640 -0.010 0.000 0.258 51 D C 0.689 177.007 176.300 0.030 0.000 1.252 51 D CA -0.935 53.085 54.000 0.034 0.000 0.777 51 D CB 0.327 41.133 40.800 0.010 0.000 1.339 51 D HN 0.315 8.685 8.370 -0.000 0.000 0.422 52 L N 0.312 121.519 121.223 -0.027 0.000 2.012 52 L HA -0.122 4.212 4.340 -0.010 0.000 0.210 52 L C 2.561 179.435 176.870 0.007 0.000 1.073 52 L CA 2.054 56.883 54.840 -0.018 0.000 0.748 52 L CB -0.753 41.248 42.059 -0.096 0.000 0.891 52 L HN 0.691 8.921 8.230 -0.000 0.000 0.431 53 A N 0.062 122.881 122.820 -0.003 0.000 1.902 53 A HA -0.204 4.110 4.320 -0.010 0.000 0.217 53 A C 2.399 179.992 177.584 0.016 0.000 1.181 53 A CA 1.573 53.613 52.037 0.005 0.000 0.623 53 A CB -0.476 18.524 19.000 0.000 0.000 0.818 53 A HN 0.335 8.485 8.150 -0.000 0.000 0.443 54 R N -0.784 119.727 120.500 0.017 0.000 2.115 54 R HA 0.080 4.414 4.340 -0.010 0.000 0.226 54 R C 1.981 178.308 176.300 0.044 0.000 1.100 54 R CA 0.971 57.082 56.100 0.018 0.000 0.980 54 R CB -0.388 29.911 30.300 -0.001 0.000 0.875 54 R HN 0.498 8.768 8.270 -0.000 0.000 0.445 55 L N 0.259 121.520 121.223 0.063 0.000 2.056 55 L HA -0.167 4.167 4.340 -0.010 0.000 0.207 55 L C 2.545 179.459 176.870 0.072 0.000 1.078 55 L CA 1.129 56.023 54.840 0.090 0.000 0.749 55 L CB -0.273 41.851 42.059 0.109 0.000 0.901 55 L HN 0.096 8.326 8.230 -0.000 0.000 0.433 56 R N -0.339 120.191 120.500 0.050 0.000 2.066 56 R HA -0.071 4.263 4.340 -0.010 0.000 0.232 56 R C 2.403 178.725 176.300 0.038 0.000 1.131 56 R CA 1.436 57.557 56.100 0.035 0.000 0.955 56 R CB -1.001 29.312 30.300 0.022 0.000 0.851 56 R HN 0.276 8.546 8.270 -0.000 0.000 0.432 57 S N 0.072 115.795 115.700 0.038 0.000 2.399 57 S HA -0.084 4.380 4.470 -0.010 0.000 0.231 57 S C 1.846 176.486 174.600 0.067 0.000 1.022 57 S CA 1.310 59.533 58.200 0.038 0.000 0.983 57 S CB -0.265 62.949 63.200 0.025 0.000 0.803 57 S HN 0.601 8.911 8.310 -0.000 0.000 0.480 58 G N 0.070 108.934 108.800 0.107 0.000 2.744 58 G HA2 0.343 4.297 3.960 -0.010 0.000 0.211 58 G HA3 0.343 4.297 3.960 -0.010 0.000 0.211 58 G C 0.943 175.959 174.900 0.194 0.000 1.143 58 G CA 0.331 45.561 45.100 0.216 0.000 0.788 58 G HN 0.828 9.118 8.290 -0.000 0.000 0.534 59 G N -0.923 107.930 108.800 0.089 0.000 2.160 59 G HA2 -0.217 3.738 3.960 -0.010 0.000 0.244 59 G HA3 -0.217 3.738 3.960 -0.010 0.000 0.244 59 G C 0.119 175.009 174.900 -0.016 0.000 1.022 59 G CA 0.058 45.181 45.100 0.038 0.000 0.741 59 G HN 0.693 8.983 8.290 -0.000 0.000 0.508 60 V N 0.378 120.275 119.914 -0.027 0.000 2.455 60 V HA 0.560 4.674 4.120 -0.010 0.000 0.273 60 V C 1.568 177.665 176.094 0.005 0.000 1.045 60 V CA 0.934 63.186 62.300 -0.079 0.000 0.976 60 V CB 1.225 32.998 31.823 -0.083 0.000 0.993 60 V HN 0.570 8.760 8.190 -0.000 0.000 0.475 61 G N 3.387 112.228 108.800 0.069 0.000 2.921 61 G HA2 0.556 4.510 3.960 -0.010 0.000 0.213 61 G HA3 0.556 4.510 3.960 -0.010 0.000 0.213 61 G C 0.316 175.357 174.900 0.236 0.000 1.143 61 G CA 0.719 45.908 45.100 0.149 0.000 0.764 61 G HN 0.971 9.261 8.290 -0.000 0.000 0.542 62 A N -0.445 122.458 122.820 0.138 0.000 2.547 62 A HA 0.755 5.069 4.320 -0.010 0.000 0.297 62 A C -1.646 175.843 177.584 -0.160 0.000 1.056 62 A CA -0.561 51.477 52.037 0.002 0.000 0.688 62 A CB 2.006 20.979 19.000 -0.045 0.000 1.282 62 A HN 0.089 8.239 8.150 -0.000 0.000 0.400 63 Q N 0.564 120.171 119.800 -0.321 0.000 2.285 63 Q HA 0.596 4.931 4.340 -0.010 0.000 0.269 63 Q C -2.347 173.265 176.000 -0.646 0.000 1.030 63 Q CA -0.274 55.191 55.803 -0.563 0.000 0.788 63 Q CB 1.200 29.293 28.738 -1.074 0.000 1.266 63 Q HN 0.611 8.881 8.270 -0.000 0.000 0.438 64 Y N 2.727 122.810 120.300 -0.362 0.000 2.477 64 Y HA 0.304 4.850 4.550 -0.007 0.000 0.349 64 Y C -0.668 175.076 175.900 -0.259 0.000 0.977 64 Y CA 0.051 58.041 58.100 -0.183 0.000 1.214 64 Y CB 0.592 39.123 38.460 0.118 0.000 1.124 64 Y HN 0.541 8.821 8.280 -0.000 0.000 0.521 65 W N 2.852 124.186 121.300 0.056 0.000 2.345 65 W HA 0.323 4.975 4.660 -0.013 0.000 0.308 65 W C 0.525 177.021 176.519 -0.037 0.000 1.273 65 W CA -0.563 56.787 57.345 0.009 0.000 1.243 65 W CB 0.971 30.435 29.460 0.006 0.000 1.260 65 W HN 0.320 8.500 8.180 -0.000 0.000 0.509 66 S N 2.742 118.514 115.700 0.120 0.000 2.549 66 S HA 0.211 4.675 4.470 -0.010 0.000 0.279 66 S C 0.306 175.003 174.600 0.161 0.000 1.321 66 S CA -0.746 57.471 58.200 0.028 0.000 1.054 66 S CB 0.528 63.571 63.200 -0.262 0.000 0.899 66 S HN 0.571 8.881 8.310 -0.000 0.000 0.497 67 V N 4.277 124.278 119.914 0.145 0.000 2.982 67 V HA 0.390 4.504 4.120 -0.010 0.000 0.368 67 V C 0.054 176.244 176.094 0.160 0.000 1.350 67 V CA -0.920 61.472 62.300 0.153 0.000 1.251 67 V CB -1.710 30.160 31.823 0.078 0.000 1.284 67 V HN 0.842 9.032 8.190 -0.000 0.000 0.533 68 Y N 2.177 122.524 120.300 0.079 0.000 2.788 68 Y HA 0.366 4.910 4.550 -0.010 0.000 0.341 68 Y C 0.115 175.998 175.900 -0.028 0.000 1.258 68 Y CA 0.818 58.903 58.100 -0.025 0.000 1.503 68 Y CB 0.855 39.232 38.460 -0.137 0.000 1.325 68 Y HN 0.441 8.721 8.280 -0.000 0.000 0.614 69 V N 3.998 123.246 119.914 -1.109 0.000 3.114 69 V HA 0.607 4.721 4.120 -0.010 0.000 0.308 69 V C -0.718 174.684 176.094 -1.153 0.000 1.168 69 V CA -1.727 60.064 62.300 -0.848 0.000 1.015 69 V CB 1.818 33.531 31.823 -0.183 0.000 1.050 69 V HN 0.845 9.035 8.190 -0.000 0.000 0.433 70 R N 1.551 121.630 120.500 -0.701 0.000 2.537 70 R HA 0.323 4.657 4.340 -0.010 0.000 0.280 70 R C 1.324 177.465 176.300 -0.265 0.000 1.058 70 R CA 0.562 56.416 56.100 -0.410 0.000 1.057 70 R CB 1.069 31.320 30.300 -0.082 0.000 0.973 70 R HN 1.063 9.333 8.270 -0.000 0.000 0.438 71 S N 0.227 115.664 115.700 -0.438 0.000 2.524 71 S HA -0.068 4.397 4.470 -0.010 0.000 0.216 71 S C 0.849 175.307 174.600 -0.236 0.000 0.987 71 S CA 0.261 58.082 58.200 -0.630 0.000 0.909 71 S CB 0.186 62.759 63.200 -1.044 0.000 0.781 71 S HN 0.759 9.069 8.310 -0.000 0.000 0.521 72 D N 1.200 121.521 120.400 -0.131 0.000 2.342 72 D HA 0.195 4.829 4.640 -0.010 0.000 0.221 72 D C 0.253 176.538 176.300 -0.025 0.000 1.101 72 D CA -0.170 53.793 54.000 -0.061 0.000 0.837 72 D CB -0.026 40.752 40.800 -0.037 0.000 0.938 72 D HN 0.387 8.757 8.370 -0.000 0.000 0.508 73 L N 0.897 122.110 121.223 -0.017 0.000 2.370 73 L HA 0.463 4.798 4.340 -0.010 0.000 0.266 73 L C -2.207 174.676 176.870 0.022 0.000 1.002 73 L CA -2.037 52.810 54.840 0.013 0.000 0.818 73 L CB 2.270 44.350 42.059 0.036 0.000 1.325 73 L HN -0.209 8.021 8.230 -0.000 0.000 0.418 74 P HA 0.192 4.612 4.420 -0.000 0.000 0.274 74 P C 0.378 177.702 177.300 0.041 0.000 1.256 74 P CA 0.053 63.172 63.100 0.032 0.000 0.795 74 P CB 0.990 32.705 31.700 0.025 0.000 1.038 75 G N -0.117 108.709 108.800 0.043 0.000 2.198 75 G HA2 -0.184 3.770 3.960 -0.010 0.000 0.257 75 G HA3 -0.184 3.770 3.960 -0.010 0.000 0.257 75 G C 0.963 175.895 174.900 0.052 0.000 1.042 75 G CA 0.436 45.563 45.100 0.044 0.000 0.791 75 G HN 0.735 9.025 8.290 -0.000 0.000 0.502 76 A N -0.959 121.899 122.820 0.064 0.000 1.933 76 A HA 0.173 4.487 4.320 -0.010 0.000 0.218 76 A C 2.588 180.191 177.584 0.031 0.000 1.175 76 A CA 2.530 54.607 52.037 0.067 0.000 0.628 76 A CB -0.282 18.801 19.000 0.138 0.000 0.814 76 A HN 1.146 9.296 8.150 -0.000 0.000 0.444 77 V N -0.424 119.510 119.914 0.034 0.000 2.295 77 V HA -0.227 3.888 4.120 -0.010 0.000 0.246 77 V C 2.743 178.850 176.094 0.022 0.000 1.049 77 V CA 2.482 64.796 62.300 0.023 0.000 1.024 77 V CB -1.323 30.519 31.823 0.032 0.000 0.648 77 V HN 0.597 8.787 8.190 -0.000 0.000 0.447 78 T N 0.531 115.102 114.554 0.028 0.000 2.684 78 T HA -0.190 4.155 4.350 -0.010 0.000 0.267 78 T C 2.054 176.776 174.700 0.037 0.000 1.036 78 T CA 1.726 63.843 62.100 0.027 0.000 1.148 78 T CB -0.471 68.415 68.868 0.030 0.000 0.863 78 T HN 0.571 8.811 8.240 -0.000 0.000 0.436 79 A N 1.179 124.031 122.820 0.054 0.000 1.933 79 A HA -0.118 4.197 4.320 -0.010 0.000 0.218 79 A C 2.546 180.177 177.584 0.079 0.000 1.175 79 A CA 2.002 54.092 52.037 0.088 0.000 0.628 79 A CB -1.166 17.897 19.000 0.105 0.000 0.814 79 A HN 0.479 8.629 8.150 -0.000 0.000 0.444 80 T N 0.524 115.099 114.554 0.035 0.000 2.821 80 T HA -0.055 4.289 4.350 -0.010 0.000 0.267 80 T C 1.750 176.458 174.700 0.012 0.000 1.046 80 T CA 1.368 63.479 62.100 0.018 0.000 1.139 80 T CB -0.351 68.507 68.868 -0.016 0.000 0.871 80 T HN 0.389 8.629 8.240 -0.000 0.000 0.454 81 L N 0.625 121.850 121.223 0.003 0.000 2.141 81 L HA -0.069 4.265 4.340 -0.010 0.000 0.209 81 L C 2.624 179.464 176.870 -0.050 0.000 1.094 81 L CA 1.320 56.148 54.840 -0.019 0.000 0.763 81 L CB -0.559 41.491 42.059 -0.015 0.000 0.908 81 L HN 0.344 8.574 8.230 -0.000 0.000 0.437 82 E N -0.548 119.628 120.200 -0.041 0.000 2.107 82 E HA -0.193 4.152 4.350 -0.010 0.000 0.191 82 E C 2.285 178.755 176.600 -0.217 0.000 0.982 82 E CA 0.621 56.941 56.400 -0.133 0.000 0.809 82 E CB 0.039 29.727 29.700 -0.019 0.000 0.756 82 E HN 0.430 8.790 8.360 -0.000 0.000 0.459 83 Q N 0.441 120.232 119.800 -0.015 0.000 2.079 83 Q HA -0.118 4.216 4.340 -0.010 0.000 0.200 83 Q C 2.323 178.304 176.000 -0.032 0.000 0.974 83 Q CA 1.017 56.851 55.803 0.052 0.000 0.840 83 Q CB -0.120 28.712 28.738 0.158 0.000 0.898 83 Q HN 0.397 8.667 8.270 -0.000 0.000 0.430 84 I N 0.847 121.394 120.570 -0.038 0.000 2.226 84 I HA -0.278 3.886 4.170 -0.010 0.000 0.245 84 I C 2.065 178.123 176.117 -0.098 0.000 1.100 84 I CA 1.439 62.710 61.300 -0.049 0.000 1.374 84 I CB -0.258 37.719 38.000 -0.038 0.000 1.057 84 I HN 0.176 8.386 8.210 -0.000 0.000 0.413 85 D N 0.059 120.375 120.400 -0.141 0.000 2.144 85 D HA -0.245 4.390 4.640 -0.010 0.000 0.199 85 D C 2.325 178.491 176.300 -0.223 0.000 0.984 85 D CA 1.230 55.124 54.000 -0.176 0.000 0.834 85 D CB -0.077 40.599 40.800 -0.207 0.000 0.955 85 D HN 0.406 8.776 8.370 -0.000 0.000 0.465 86 C N -0.801 118.317 119.300 -0.303 0.000 2.429 86 C HA -0.090 4.364 4.460 -0.010 0.000 0.277 86 C C 2.741 177.617 174.990 -0.191 0.000 1.262 86 C CA 0.913 59.762 59.018 -0.281 0.000 1.733 86 C CB -1.111 26.476 27.740 -0.254 0.000 2.010 86 C HN 0.263 8.493 8.230 -0.000 0.000 0.483 87 V N 1.201 121.014 119.914 -0.169 0.000 2.343 87 V HA -0.192 3.922 4.120 -0.010 0.000 0.247 87 V C 2.736 178.726 176.094 -0.174 0.000 1.051 87 V CA 2.260 64.432 62.300 -0.213 0.000 1.036 87 V CB -0.792 30.960 31.823 -0.118 0.000 0.654 87 V HN 0.514 8.704 8.190 -0.000 0.000 0.451 88 R N -0.221 120.204 120.500 -0.125 0.000 2.081 88 R HA -0.138 4.196 4.340 -0.010 0.000 0.235 88 R C 2.542 178.777 176.300 -0.109 0.000 1.131 88 R CA 1.507 57.548 56.100 -0.100 0.000 0.960 88 R CB -0.362 29.886 30.300 -0.087 0.000 0.856 88 R HN 0.489 8.759 8.270 -0.000 0.000 0.436 89 R N 0.530 120.953 120.500 -0.129 0.000 2.081 89 R HA -0.077 4.258 4.340 -0.010 0.000 0.235 89 R C 2.385 178.610 176.300 -0.125 0.000 1.131 89 R CA 1.144 57.170 56.100 -0.124 0.000 0.960 89 R CB -0.374 29.848 30.300 -0.130 0.000 0.856 89 R HN 0.195 8.466 8.270 -0.000 0.000 0.436 90 L N 0.391 121.535 121.223 -0.131 0.000 2.046 90 L HA -0.196 4.138 4.340 -0.010 0.000 0.208 90 L C 2.357 179.210 176.870 -0.029 0.000 1.077 90 L CA 1.311 56.103 54.840 -0.081 0.000 0.747 90 L CB -0.378 41.548 42.059 -0.220 0.000 0.896 90 L HN 0.188 8.418 8.230 -0.000 0.000 0.432 91 I N -0.278 120.248 120.570 -0.073 0.000 2.179 91 I HA -0.289 3.875 4.170 -0.010 0.000 0.242 91 I C 2.038 178.134 176.117 -0.036 0.000 1.088 91 I CA 1.217 62.505 61.300 -0.021 0.000 1.357 91 I CB -0.392 37.596 38.000 -0.020 0.000 1.051 91 I HN 0.259 8.469 8.210 -0.000 0.000 0.409 92 D N 0.711 121.066 120.400 -0.075 0.000 2.178 92 D HA -0.123 4.511 4.640 -0.010 0.000 0.202 92 D C 2.291 178.506 176.300 -0.142 0.000 0.974 92 D CA 1.048 54.996 54.000 -0.087 0.000 0.841 92 D CB -0.173 40.575 40.800 -0.087 0.000 0.953 92 D HN 0.302 8.672 8.370 -0.000 0.000 0.478 93 R N -0.386 119.969 120.500 -0.241 0.000 2.193 93 R HA 0.014 4.348 4.340 -0.010 0.000 0.213 93 R C 0.407 176.301 176.300 -0.676 0.000 1.055 93 R CA 0.715 56.532 56.100 -0.472 0.000 0.995 93 R CB 0.217 30.139 30.300 -0.631 0.000 0.893 93 R HN 0.277 8.547 8.270 -0.000 0.000 0.459 94 H N -0.280 118.772 119.070 -0.029 0.000 2.535 94 H HA 0.163 4.713 4.556 -0.011 0.000 0.232 94 H C -1.961 173.366 175.328 -0.003 0.000 1.405 94 H CA -1.834 54.206 56.048 -0.013 0.000 1.224 94 H CB 0.977 30.732 29.762 -0.010 0.000 1.763 94 H HN 0.079 8.359 8.280 -0.000 0.000 0.529 95 P HA -0.098 4.322 4.420 -0.000 0.000 0.222 95 P C 1.624 178.952 177.300 0.048 0.000 1.147 95 P CA 1.001 64.122 63.100 0.036 0.000 0.790 95 P CB 0.101 31.804 31.700 0.005 0.000 0.780 96 G N 0.027 108.862 108.800 0.058 0.000 2.511 96 G HA2 -0.145 3.809 3.960 -0.010 0.000 0.217 96 G HA3 -0.145 3.809 3.960 -0.010 0.000 0.217 96 G C 1.202 176.134 174.900 0.053 0.000 1.133 96 G CA 0.440 45.568 45.100 0.048 0.000 0.792 96 G HN 0.259 8.549 8.290 -0.000 0.000 0.539 97 E N -0.916 119.331 120.200 0.077 0.000 2.399 97 E HA 0.320 4.664 4.350 -0.010 0.000 0.205 97 E C 0.537 177.190 176.600 0.089 0.000 0.906 97 E CA -0.006 56.436 56.400 0.071 0.000 0.998 97 E CB 0.472 30.208 29.700 0.059 0.000 1.002 97 E HN 0.260 8.620 8.360 -0.000 0.000 0.501 98 L N 0.645 121.933 121.223 0.108 0.000 2.342 98 L HA 0.602 4.936 4.340 -0.010 0.000 0.271 98 L C -0.308 176.616 176.870 0.090 0.000 1.008 98 L CA -0.986 53.928 54.840 0.123 0.000 0.818 98 L CB 2.145 44.294 42.059 0.151 0.000 1.296 98 L HN -0.132 8.098 8.230 -0.000 0.000 0.427 99 R N 1.811 122.365 120.500 0.091 0.000 2.538 99 R HA 0.680 5.014 4.340 -0.010 0.000 0.292 99 R C -0.882 175.454 176.300 0.061 0.000 1.008 99 R CA -0.508 55.629 56.100 0.062 0.000 0.896 99 R CB 1.925 32.257 30.300 0.052 0.000 1.187 99 R HN 0.782 9.052 8.270 -0.000 0.000 0.440 100 A N 2.792 125.636 122.820 0.040 0.000 2.498 100 A HA 0.500 4.814 4.320 -0.010 0.000 0.239 100 A C -0.387 177.203 177.584 0.011 0.000 1.068 100 A CA 0.334 52.387 52.037 0.027 0.000 0.766 100 A CB 0.394 19.398 19.000 0.006 0.000 1.003 100 A HN 0.803 8.953 8.150 -0.000 0.000 0.497 101 A N 2.204 125.017 122.820 -0.011 0.000 2.359 101 A HA 0.629 4.943 4.320 -0.010 0.000 0.303 101 A C 0.115 177.661 177.584 -0.062 0.000 1.066 101 A CA -0.490 51.527 52.037 -0.034 0.000 0.730 101 A CB 0.794 19.762 19.000 -0.053 0.000 1.211 101 A HN 0.848 8.998 8.150 -0.000 0.000 0.439 102 L N 1.334 122.528 121.223 -0.047 0.000 2.749 102 L HA 0.222 4.556 4.340 -0.010 0.000 0.242 102 L C 1.003 177.857 176.870 -0.027 0.000 1.103 102 L CA 0.822 55.624 54.840 -0.063 0.000 0.906 102 L CB 0.482 42.498 42.059 -0.072 0.000 1.228 102 L HN 0.859 9.089 8.230 -0.000 0.000 0.517 103 T N -5.014 109.537 114.554 -0.006 0.000 2.865 103 T HA 0.613 4.957 4.350 -0.010 0.000 0.294 103 T C 0.816 175.525 174.700 0.015 0.000 1.119 103 T CA -0.052 62.061 62.100 0.023 0.000 1.007 103 T CB 2.314 71.203 68.868 0.036 0.000 1.225 103 T HN -0.099 8.141 8.240 -0.000 0.000 0.515 104 A N 0.573 123.410 122.820 0.028 0.000 1.933 104 A HA 0.272 4.587 4.320 -0.010 0.000 0.218 104 A C 2.531 180.144 177.584 0.048 0.000 1.175 104 A CA 1.929 53.977 52.037 0.017 0.000 0.628 104 A CB -1.505 17.510 19.000 0.026 0.000 0.814 104 A HN 1.333 9.483 8.150 -0.000 0.000 0.444 105 A N 0.049 122.902 122.820 0.055 0.000 1.933 105 A HA -0.181 4.133 4.320 -0.010 0.000 0.218 105 A C 1.747 179.374 177.584 0.072 0.000 1.175 105 A CA 1.862 53.941 52.037 0.069 0.000 0.628 105 A CB -0.550 18.483 19.000 0.055 0.000 0.814 105 A HN 0.448 8.598 8.150 -0.000 0.000 0.444 106 D N -0.371 120.060 120.400 0.051 0.000 2.144 106 D HA -0.133 4.501 4.640 -0.010 0.000 0.199 106 D C 2.000 178.345 176.300 0.076 0.000 0.984 106 D CA 1.317 55.345 54.000 0.047 0.000 0.834 106 D CB -0.342 40.470 40.800 0.020 0.000 0.955 106 D HN 0.512 8.882 8.370 -0.000 0.000 0.465 107 M N 0.343 119.989 119.600 0.078 0.000 2.117 107 M HA -0.125 4.349 4.480 -0.010 0.000 0.262 107 M C 1.953 178.473 176.300 0.367 0.000 1.065 107 M CA 1.130 56.518 55.300 0.147 0.000 1.114 107 M CB -0.053 32.523 32.600 -0.040 0.000 1.361 107 M HN -0.117 8.173 8.290 -0.000 0.000 0.408 108 E N 0.438 120.830 120.200 0.321 0.000 2.106 108 E HA -0.101 4.243 4.350 -0.010 0.000 0.192 108 E C 2.140 178.832 176.600 0.154 0.000 0.984 108 E CA 1.377 57.968 56.400 0.318 0.000 0.806 108 E CB -0.305 29.542 29.700 0.245 0.000 0.750 108 E HN 0.497 8.857 8.360 -0.000 0.000 0.458 109 A N 1.568 124.458 122.820 0.116 0.000 1.902 109 A HA -0.083 4.232 4.320 -0.010 0.000 0.217 109 A C 2.430 180.048 177.584 0.056 0.000 1.181 109 A CA 1.965 54.041 52.037 0.066 0.000 0.623 109 A CB -0.529 18.503 19.000 0.054 0.000 0.818 109 A HN 0.265 8.415 8.150 -0.000 0.000 0.443 110 A N -0.293 122.579 122.820 0.087 0.000 1.902 110 A HA -0.166 4.148 4.320 -0.010 0.000 0.217 110 A C 2.244 179.850 177.584 0.037 0.000 1.181 110 A CA 1.788 53.870 52.037 0.075 0.000 0.623 110 A CB -0.494 18.573 19.000 0.112 0.000 0.818 110 A HN 0.555 8.705 8.150 -0.000 0.000 0.443 111 R N -0.383 120.136 120.500 0.032 0.000 2.096 111 R HA -0.094 4.240 4.340 -0.010 0.000 0.235 111 R C 2.207 178.415 176.300 -0.154 0.000 1.127 111 R CA 1.445 57.450 56.100 -0.159 0.000 0.968 111 R CB -0.388 29.651 30.300 -0.436 0.000 0.861 111 R HN 0.435 8.705 8.270 -0.000 0.000 0.440 112 A N 0.504 123.271 122.820 -0.088 0.000 2.015 112 A HA -0.128 4.186 4.320 -0.010 0.000 0.219 112 A C 1.680 179.229 177.584 -0.059 0.000 1.163 112 A CA 1.394 53.383 52.037 -0.079 0.000 0.646 112 A CB -0.216 18.760 19.000 -0.039 0.000 0.806 112 A HN 0.484 8.634 8.150 -0.000 0.000 0.448 113 E N -1.816 118.363 120.200 -0.036 0.000 2.442 113 E HA 0.237 4.581 4.350 -0.010 0.000 0.195 113 E C 1.050 177.633 176.600 -0.027 0.000 1.030 113 E CA 0.277 56.664 56.400 -0.023 0.000 0.869 113 E CB 0.015 29.714 29.700 -0.002 0.000 0.857 113 E HN 0.716 9.076 8.360 -0.000 0.000 0.505 114 G N 2.041 110.814 108.800 -0.044 0.000 2.137 114 G HA2 -0.289 3.665 3.960 -0.010 0.000 0.237 114 G HA3 -0.289 3.665 3.960 -0.010 0.000 0.237 114 G C 0.034 174.926 174.900 -0.013 0.000 1.002 114 G CA 0.040 45.114 45.100 -0.044 0.000 0.702 114 G HN 0.093 8.383 8.290 -0.000 0.000 0.515 115 R N -0.733 119.770 120.500 0.006 0.000 2.732 115 R HA 0.624 4.958 4.340 -0.010 0.000 0.278 115 R C 0.403 176.738 176.300 0.057 0.000 0.976 115 R CA -1.047 55.074 56.100 0.035 0.000 0.963 115 R CB 1.332 31.658 30.300 0.042 0.000 1.150 115 R HN 0.216 8.486 8.270 -0.000 0.000 0.478 116 I N 2.437 123.054 120.570 0.079 0.000 2.421 116 I HA 0.084 4.248 4.170 -0.010 0.000 0.291 116 I C 0.658 176.841 176.117 0.111 0.000 1.089 116 I CA -0.130 61.230 61.300 0.100 0.000 1.354 116 I CB 1.036 39.108 38.000 0.120 0.000 1.413 116 I HN 0.616 8.826 8.210 -0.000 0.000 0.513 117 A N 5.374 128.254 122.820 0.100 0.000 2.524 117 A HA 0.254 4.568 4.320 -0.010 0.000 0.250 117 A C 0.271 177.866 177.584 0.019 0.000 1.078 117 A CA 0.119 52.191 52.037 0.060 0.000 0.761 117 A CB -0.028 19.001 19.000 0.050 0.000 1.012 117 A HN 0.679 8.829 8.150 -0.000 0.000 0.500 118 S N 2.595 118.340 115.700 0.075 0.000 2.520 118 S HA 0.555 5.020 4.470 -0.010 0.000 0.324 118 S C -0.338 174.304 174.600 0.070 0.000 1.069 118 S CA -0.348 57.963 58.200 0.185 0.000 1.121 118 S CB 0.286 63.740 63.200 0.424 0.000 0.971 118 S HN 0.545 8.855 8.310 -0.000 0.000 0.463 119 L N 2.595 123.755 121.223 -0.106 0.000 2.299 119 L HA 0.690 5.024 4.340 -0.010 0.000 0.268 119 L C -0.038 176.829 176.870 -0.005 0.000 1.012 119 L CA -0.603 54.125 54.840 -0.187 0.000 0.816 119 L CB 0.826 42.493 42.059 -0.654 0.000 1.355 119 L HN 0.450 8.680 8.230 -0.000 0.000 0.457 120 M N -0.280 119.325 119.600 0.007 0.000 2.457 120 M HA 0.660 5.134 4.480 -0.010 0.000 0.300 120 M C -0.573 175.651 176.300 -0.128 0.000 1.141 120 M CA -0.471 54.844 55.300 0.025 0.000 0.901 120 M CB 2.335 34.944 32.600 0.014 0.000 1.687 120 M HN 0.634 8.924 8.290 -0.000 0.000 0.449 121 G N 1.215 109.807 108.800 -0.347 0.000 2.707 121 G HA2 0.746 4.700 3.960 -0.010 0.000 0.299 121 G HA3 0.746 4.700 3.960 -0.010 0.000 0.299 121 G C -1.301 173.395 174.900 -0.341 0.000 1.442 121 G CA -0.538 43.959 45.100 -1.006 0.000 1.009 121 G HN 0.867 9.157 8.290 -0.000 0.000 0.515 122 A N 1.707 124.454 122.820 -0.121 0.000 2.354 122 A HA 0.692 5.006 4.320 -0.010 0.000 0.269 122 A C 0.175 177.887 177.584 0.215 0.000 1.109 122 A CA -0.446 51.626 52.037 0.057 0.000 0.800 122 A CB 0.841 19.869 19.000 0.047 0.000 1.045 122 A HN 0.660 8.810 8.150 -0.000 0.000 0.489 123 E N 1.446 121.791 120.200 0.242 0.000 2.376 123 E HA 0.482 4.826 4.350 -0.010 0.000 0.236 123 E C -0.157 176.605 176.600 0.270 0.000 0.962 123 E CA 0.103 56.719 56.400 0.359 0.000 0.768 123 E CB 0.247 30.263 29.700 0.527 0.000 1.236 123 E HN 1.436 9.796 8.360 -0.000 0.000 0.431 124 G N 1.385 110.305 108.800 0.200 0.000 3.101 124 G HA2 -0.066 3.888 3.960 -0.010 0.000 0.672 124 G HA3 -0.066 3.888 3.960 -0.010 0.000 0.672 124 G C 0.486 175.403 174.900 0.029 0.000 1.331 124 G CA -0.459 44.765 45.100 0.207 0.000 0.925 124 G HN 0.499 8.789 8.290 -0.000 0.000 0.596 125 G N 1.443 110.319 108.800 0.126 0.000 2.498 125 G HA2 -0.078 3.876 3.960 -0.010 0.000 0.219 125 G HA3 -0.078 3.876 3.960 -0.010 0.000 0.219 125 G C 1.420 176.467 174.900 0.246 0.000 1.119 125 G CA 1.689 46.943 45.100 0.257 0.000 0.766 125 G HN 1.334 9.624 8.290 -0.000 0.000 0.552 126 H N -0.026 119.087 119.070 0.071 0.000 2.518 126 H HA 0.067 4.618 4.556 -0.009 0.000 0.289 126 H C 2.002 177.388 175.328 0.097 0.000 1.051 126 H CA 1.142 57.234 56.048 0.073 0.000 1.280 126 H CB -0.589 29.170 29.762 -0.005 0.000 1.380 126 H HN 0.243 8.523 8.280 -0.000 0.000 0.566 127 S N 1.110 116.589 115.700 -0.368 0.000 2.474 127 S HA -0.007 4.457 4.470 -0.010 0.000 0.235 127 S C 2.036 176.634 174.600 -0.004 0.000 0.997 127 S CA 0.976 59.048 58.200 -0.213 0.000 0.949 127 S CB -0.297 62.769 63.200 -0.223 0.000 0.766 127 S HN 0.729 9.039 8.310 -0.000 0.000 0.517 128 I N -1.726 118.905 120.570 0.101 0.000 4.018 128 I HA 0.335 4.499 4.170 -0.010 0.000 0.337 128 I C 0.033 176.246 176.117 0.159 0.000 1.327 128 I CA 0.004 61.384 61.300 0.134 0.000 1.100 128 I CB 0.009 38.104 38.000 0.158 0.000 1.025 128 I HN -0.088 8.122 8.210 -0.000 0.000 0.396 129 D N 3.398 123.905 120.400 0.178 0.000 2.686 129 D HA -0.280 4.354 4.640 -0.010 0.000 0.235 129 D C 0.121 176.522 176.300 0.168 0.000 1.160 129 D CA 1.050 55.145 54.000 0.159 0.000 0.645 129 D CB -1.296 39.563 40.800 0.098 0.000 1.039 129 D HN 0.695 9.065 8.370 -0.000 0.000 0.423 130 N N -1.054 117.815 118.700 0.282 0.000 2.693 130 N HA -0.253 4.481 4.740 -0.010 0.000 0.249 130 N C -0.629 174.972 175.510 0.151 0.000 1.119 130 N CA 1.323 54.507 53.050 0.222 0.000 0.717 130 N CB -1.443 37.051 38.487 0.012 0.000 1.071 130 N HN 0.462 8.842 8.380 -0.000 0.000 0.555 131 S N -0.092 115.716 115.700 0.180 0.000 2.596 131 S HA 0.526 4.991 4.470 -0.010 0.000 0.318 131 S C 1.185 175.854 174.600 0.115 0.000 1.097 131 S CA -0.814 57.465 58.200 0.132 0.000 1.080 131 S CB 0.724 63.973 63.200 0.081 0.000 0.991 131 S HN 0.240 8.550 8.310 -0.000 0.000 0.471 132 L N 4.161 125.449 121.223 0.108 0.000 2.141 132 L HA -0.010 4.324 4.340 -0.010 0.000 0.209 132 L C 2.799 179.677 176.870 0.012 0.000 1.094 132 L CA 1.442 56.291 54.840 0.015 0.000 0.763 132 L CB -0.626 41.420 42.059 -0.021 0.000 0.908 132 L HN 0.804 9.034 8.230 -0.000 0.000 0.437 133 A N -0.435 122.402 122.820 0.029 0.000 1.969 133 A HA -0.159 4.155 4.320 -0.010 0.000 0.218 133 A C 2.352 179.955 177.584 0.033 0.000 1.169 133 A CA 2.086 54.137 52.037 0.024 0.000 0.635 133 A CB -0.705 18.310 19.000 0.025 0.000 0.810 133 A HN 0.352 8.502 8.150 -0.000 0.000 0.445 134 T N 0.054 114.634 114.554 0.043 0.000 2.821 134 T HA -0.093 4.251 4.350 -0.010 0.000 0.267 134 T C 1.818 176.550 174.700 0.053 0.000 1.046 134 T CA 1.359 63.489 62.100 0.049 0.000 1.139 134 T CB -0.315 68.588 68.868 0.058 0.000 0.871 134 T HN 0.359 8.599 8.240 -0.000 0.000 0.454 135 L N 1.457 122.709 121.223 0.048 0.000 2.046 135 L HA -0.044 4.290 4.340 -0.010 0.000 0.208 135 L C 2.420 179.331 176.870 0.068 0.000 1.077 135 L CA 1.744 56.613 54.840 0.049 0.000 0.747 135 L CB -0.364 41.696 42.059 0.002 0.000 0.896 135 L HN 0.052 8.282 8.230 -0.000 0.000 0.432 136 R N -0.506 120.022 120.500 0.046 0.000 2.120 136 R HA -0.076 4.259 4.340 -0.010 0.000 0.234 136 R C 2.243 178.607 176.300 0.107 0.000 1.123 136 R CA 1.123 57.262 56.100 0.065 0.000 0.975 136 R CB -0.622 29.691 30.300 0.021 0.000 0.866 136 R HN 0.552 8.822 8.270 -0.000 0.000 0.446 137 A N 1.387 124.251 122.820 0.073 0.000 1.898 137 A HA -0.102 4.212 4.320 -0.010 0.000 0.216 137 A C 2.179 179.803 177.584 0.067 0.000 1.181 137 A CA 1.021 53.095 52.037 0.063 0.000 0.620 137 A CB -0.464 18.561 19.000 0.041 0.000 0.819 137 A HN 0.156 8.306 8.150 -0.000 0.000 0.442 138 L N -2.192 119.075 121.223 0.073 0.000 2.083 138 L HA -0.201 4.133 4.340 -0.010 0.000 0.209 138 L C 2.604 179.515 176.870 0.068 0.000 1.083 138 L CA 1.857 56.732 54.840 0.059 0.000 0.752 138 L CB -0.692 41.404 42.059 0.062 0.000 0.899 138 L HN 0.598 8.828 8.230 -0.000 0.000 0.433 139 Y N 0.845 121.153 120.300 0.013 0.000 2.181 139 Y HA -0.248 4.297 4.550 -0.009 0.000 0.288 139 Y C 2.543 178.451 175.900 0.013 0.000 1.146 139 Y CA 1.357 59.467 58.100 0.017 0.000 1.164 139 Y CB -0.171 38.299 38.460 0.015 0.000 0.982 139 Y HN 0.100 8.380 8.280 -0.000 0.000 0.515 140 A N 0.039 122.942 122.820 0.138 0.000 1.972 140 A HA -0.151 4.164 4.320 -0.010 0.000 0.219 140 A C 2.083 179.646 177.584 -0.034 0.000 1.169 140 A CA 1.734 53.809 52.037 0.062 0.000 0.635 140 A CB -1.046 18.004 19.000 0.083 0.000 0.810 140 A HN 0.555 8.705 8.150 -0.000 0.000 0.446 141 L N -1.803 119.397 121.223 -0.038 0.000 2.554 141 L HA 0.179 4.513 4.340 -0.010 0.000 0.226 141 L C 1.681 178.498 176.870 -0.089 0.000 1.137 141 L CA 0.634 55.444 54.840 -0.051 0.000 0.863 141 L CB -0.008 42.033 42.059 -0.029 0.000 0.985 141 L HN 0.599 8.829 8.230 -0.000 0.000 0.451 142 G N -0.794 107.909 108.800 -0.163 0.000 2.205 142 G HA2 -0.205 3.749 3.960 -0.010 0.000 0.180 142 G HA3 -0.205 3.749 3.960 -0.010 0.000 0.180 142 G C 0.166 174.959 174.900 -0.179 0.000 1.004 142 G CA -0.297 44.688 45.100 -0.191 0.000 0.670 142 G HN -0.000 8.290 8.290 -0.000 0.000 0.496 143 V N 2.128 121.958 119.914 -0.140 0.000 2.529 143 V HA 0.334 4.448 4.120 -0.010 0.000 0.292 143 V C 1.416 177.477 176.094 -0.054 0.000 1.028 143 V CA 0.216 62.473 62.300 -0.071 0.000 1.074 143 V CB 1.276 33.092 31.823 -0.011 0.000 0.958 143 V HN 0.307 8.497 8.190 -0.000 0.000 0.481 144 R N 3.515 124.030 120.500 0.024 0.000 2.437 144 R HA 0.224 4.558 4.340 -0.010 0.000 0.257 144 R C -0.475 175.997 176.300 0.287 0.000 0.927 144 R CA 0.154 56.353 56.100 0.165 0.000 1.078 144 R CB 0.579 31.004 30.300 0.209 0.000 1.161 144 R HN 0.826 9.096 8.270 -0.000 0.000 0.529 145 Y N -2.278 118.114 120.300 0.153 0.000 2.624 145 Y HA 0.641 5.185 4.550 -0.010 0.000 0.334 145 Y C -1.437 174.522 175.900 0.098 0.000 1.155 145 Y CA -2.010 56.138 58.100 0.080 0.000 1.046 145 Y CB 1.108 39.543 38.460 -0.042 0.000 1.316 145 Y HN -0.156 8.124 8.280 -0.000 0.000 0.457 146 M N 3.241 123.108 119.600 0.444 0.000 2.224 146 M HA 0.468 4.942 4.480 -0.010 0.000 0.281 146 M C -1.526 174.959 176.300 0.307 0.000 1.025 146 M CA -0.406 55.105 55.300 0.351 0.000 0.954 146 M CB 2.039 34.772 32.600 0.222 0.000 1.639 146 M HN 0.894 9.184 8.290 -0.000 0.000 0.461 147 T N 5.531 120.286 114.554 0.334 0.000 2.834 147 T HA 0.201 4.546 4.350 -0.010 0.000 0.298 147 T C 1.594 176.399 174.700 0.175 0.000 0.966 147 T CA -0.330 61.895 62.100 0.208 0.000 1.141 147 T CB 0.476 69.510 68.868 0.275 0.000 0.905 147 T HN 0.680 8.920 8.240 -0.000 0.000 0.535 148 L N 2.227 123.523 121.223 0.122 0.000 2.127 148 L HA -0.005 4.329 4.340 -0.010 0.000 0.211 148 L C 1.690 178.552 176.870 -0.013 0.000 1.089 148 L CA 0.939 55.858 54.840 0.131 0.000 0.757 148 L CB -0.756 41.388 42.059 0.141 0.000 0.899 148 L HN 0.800 9.030 8.230 -0.000 0.000 0.434 149 T N -5.870 108.696 114.554 0.021 0.000 2.841 149 T HA 0.304 4.649 4.350 -0.010 0.000 0.296 149 T C -0.304 174.444 174.700 0.081 0.000 1.166 149 T CA -0.820 61.284 62.100 0.007 0.000 1.007 149 T CB 2.732 71.562 68.868 -0.064 0.000 1.253 149 T HN 0.081 8.321 8.240 -0.000 0.000 0.511 150 H N 0.265 119.305 119.070 -0.050 0.000 3.664 150 H HA 0.418 4.968 4.556 -0.010 0.000 0.191 150 H C 0.622 175.865 175.328 -0.142 0.000 1.583 150 H CA -0.466 55.432 56.048 -0.249 0.000 1.543 150 H CB 0.799 30.521 29.762 -0.068 0.000 0.687 150 H HN 0.544 8.824 8.280 -0.000 0.000 0.729 151 N N 0.739 119.122 118.700 -0.528 0.000 2.494 151 N HA -0.005 4.729 4.740 -0.010 0.000 0.182 151 N C -0.814 174.665 175.510 -0.052 0.000 1.076 151 N CA 0.675 53.592 53.050 -0.222 0.000 0.908 151 N CB 0.067 38.442 38.487 -0.186 0.000 0.967 151 N HN 0.365 8.745 8.380 -0.000 0.000 0.449 152 D N -0.091 120.284 120.400 -0.042 0.000 2.433 152 D HA 0.253 4.887 4.640 -0.010 0.000 0.236 152 D C -0.132 176.126 176.300 -0.070 0.000 1.026 152 D CA -0.555 53.421 54.000 -0.041 0.000 0.884 152 D CB 0.878 41.649 40.800 -0.048 0.000 1.384 152 D HN -0.141 8.229 8.370 -0.000 0.000 0.477 153 N N 0.834 119.494 118.700 -0.067 0.000 2.415 153 N HA 0.126 4.860 4.740 -0.010 0.000 0.248 153 N C 0.134 175.561 175.510 -0.139 0.000 1.271 153 N CA -0.031 52.960 53.050 -0.098 0.000 0.913 153 N CB 0.431 38.877 38.487 -0.069 0.000 1.129 153 N HN 0.474 8.854 8.380 -0.000 0.000 0.444 154 N N -1.290 117.272 118.700 -0.230 0.000 2.815 154 N HA 0.525 5.259 4.740 -0.010 0.000 0.315 154 N C 0.369 175.735 175.510 -0.241 0.000 1.320 154 N CA -0.756 52.130 53.050 -0.272 0.000 0.846 154 N CB 0.041 38.262 38.487 -0.443 0.000 1.344 154 N HN 0.317 8.697 8.380 -0.000 0.000 0.593 155 A N -0.896 121.824 122.820 -0.166 0.000 2.070 155 A HA -0.056 4.259 4.320 -0.010 0.000 0.220 155 A C 0.664 178.325 177.584 0.129 0.000 1.159 155 A CA 1.180 53.225 52.037 0.014 0.000 0.656 155 A CB -0.889 18.185 19.000 0.123 0.000 0.800 155 A HN 0.799 8.949 8.150 -0.000 0.000 0.453 156 W N -3.381 117.994 121.300 0.125 0.000 2.714 156 W HA 0.696 5.350 4.660 -0.010 0.000 0.353 156 W C -0.098 176.484 176.519 0.105 0.000 0.999 156 W CA 0.108 57.545 57.345 0.154 0.000 1.629 156 W CB -0.679 28.963 29.460 0.303 0.000 1.106 156 W HN 0.399 8.579 8.180 -0.000 0.000 0.545 157 A N 1.386 124.120 122.820 -0.144 0.000 2.520 157 A HA 0.519 4.833 4.320 -0.010 0.000 0.298 157 A C -1.679 175.830 177.584 -0.126 0.000 1.051 157 A CA -0.401 51.575 52.037 -0.102 0.000 0.690 157 A CB 1.489 20.352 19.000 -0.229 0.000 1.281 157 A HN -0.057 8.093 8.150 -0.000 0.000 0.402 158 D N 1.269 121.640 120.400 -0.049 0.000 2.198 158 D HA 0.495 5.129 4.640 -0.010 0.000 0.245 158 D C 0.122 176.397 176.300 -0.043 0.000 1.079 158 D CA 0.371 54.345 54.000 -0.043 0.000 0.854 158 D CB 1.881 42.672 40.800 -0.015 0.000 1.148 158 D HN 0.401 8.771 8.370 -0.000 0.000 0.456 159 S N 0.771 116.444 115.700 -0.045 0.000 2.616 159 S HA 0.482 4.946 4.470 -0.010 0.000 0.277 159 S C 1.119 175.704 174.600 -0.025 0.000 1.234 159 S CA -0.407 57.775 58.200 -0.031 0.000 1.028 159 S CB 1.332 64.512 63.200 -0.034 0.000 0.988 159 S HN 0.422 8.732 8.310 -0.000 0.000 0.522 160 A N 2.436 125.241 122.820 -0.026 0.000 2.067 160 A HA 0.055 4.369 4.320 -0.010 0.000 0.219 160 A C 1.641 179.196 177.584 -0.049 0.000 1.158 160 A CA 1.579 53.588 52.037 -0.045 0.000 0.661 160 A CB -0.873 18.085 19.000 -0.071 0.000 0.801 160 A HN 1.017 9.167 8.150 -0.000 0.000 0.452 161 T N -2.692 111.848 114.554 -0.024 0.000 3.258 161 T HA 0.396 4.741 4.350 -0.010 0.000 0.263 161 T C -0.404 174.302 174.700 0.011 0.000 0.983 161 T CA -0.217 61.881 62.100 -0.003 0.000 0.907 161 T CB -0.012 68.884 68.868 0.046 0.000 1.096 161 T HN 0.214 8.454 8.240 -0.000 0.000 0.556 162 D N 0.128 120.525 120.400 -0.006 0.000 2.610 162 D HA 0.332 4.966 4.640 -0.010 0.000 0.271 162 D C -0.705 175.588 176.300 -0.010 0.000 1.174 162 D CA -0.520 53.481 54.000 0.001 0.000 0.949 162 D CB 2.104 42.900 40.800 -0.007 0.000 1.430 162 D HN -0.031 8.339 8.370 -0.000 0.000 0.467 163 E N 0.401 120.598 120.200 -0.005 0.000 2.371 163 E HA 0.343 4.687 4.350 -0.010 0.000 0.257 163 E C -2.038 174.555 176.600 -0.011 0.000 1.134 163 E CA -1.486 54.909 56.400 -0.010 0.000 0.919 163 E CB -0.129 29.569 29.700 -0.003 0.000 1.025 163 E HN 0.192 8.552 8.360 -0.000 0.000 0.438 164 P HA 0.009 4.429 4.420 -0.000 0.000 0.266 164 P C 0.117 177.415 177.300 -0.003 0.000 1.195 164 P CA 0.413 63.509 63.100 -0.007 0.000 0.768 164 P CB 0.692 32.389 31.700 -0.006 0.000 0.838 165 G N 1.014 109.813 108.800 -0.001 0.000 2.446 165 G HA2 0.088 4.042 3.960 -0.010 0.000 0.202 165 G HA3 0.088 4.042 3.960 -0.010 0.000 0.202 165 G C 0.837 175.746 174.900 0.015 0.000 1.842 165 G CA 0.167 45.268 45.100 0.003 0.000 0.703 165 G HN 0.411 8.701 8.290 -0.000 0.000 0.731 166 V N -1.325 118.604 119.914 0.025 0.000 3.623 166 V HA 0.512 4.627 4.120 -0.010 0.000 0.271 166 V C 1.548 177.667 176.094 0.040 0.000 1.248 166 V CA 0.867 63.194 62.300 0.043 0.000 1.156 166 V CB -0.282 31.586 31.823 0.075 0.000 0.870 166 V HN 1.756 9.946 8.190 -0.000 0.000 0.453 167 G N -1.374 107.443 108.800 0.028 0.000 2.130 167 G HA2 0.256 4.210 3.960 -0.010 0.000 0.216 167 G HA3 0.256 4.210 3.960 -0.010 0.000 0.216 167 G C 0.945 175.862 174.900 0.029 0.000 0.999 167 G CA 0.268 45.383 45.100 0.024 0.000 0.686 167 G HN 1.957 10.247 8.290 -0.000 0.000 0.515 168 G N -1.101 107.720 108.800 0.034 0.000 2.039 168 G HA2 0.116 4.070 3.960 -0.010 0.000 0.207 168 G HA3 0.116 4.070 3.960 -0.010 0.000 0.207 168 G C -0.322 174.619 174.900 0.068 0.000 1.133 168 G CA -0.216 44.908 45.100 0.040 0.000 1.296 168 G HN 1.099 9.389 8.290 -0.000 0.000 0.459 169 L N 2.049 123.325 121.223 0.088 0.000 2.329 169 L HA 0.638 4.972 4.340 -0.010 0.000 0.279 169 L C 1.160 178.114 176.870 0.141 0.000 1.014 169 L CA -0.363 54.564 54.840 0.146 0.000 0.814 169 L CB 1.968 44.107 42.059 0.134 0.000 1.257 169 L HN 0.844 9.074 8.230 -0.000 0.000 0.424 170 S N 1.615 117.438 115.700 0.204 0.000 2.652 170 S HA 0.415 4.879 4.470 -0.010 0.000 0.267 170 S C 1.157 175.849 174.600 0.153 0.000 1.201 170 S CA -0.019 58.289 58.200 0.180 0.000 0.996 170 S CB 1.397 64.742 63.200 0.242 0.000 1.054 170 S HN 0.683 8.993 8.310 -0.000 0.000 0.561 171 A N 0.251 123.150 122.820 0.132 0.000 1.902 171 A HA 0.006 4.320 4.320 -0.010 0.000 0.217 171 A C 1.875 179.514 177.584 0.091 0.000 1.181 171 A CA 1.575 53.667 52.037 0.093 0.000 0.623 171 A CB -1.197 17.855 19.000 0.087 0.000 0.818 171 A HN 0.887 9.037 8.150 -0.000 0.000 0.443 172 F N 1.110 121.063 119.950 0.005 0.000 2.234 172 F HA 0.047 4.568 4.527 -0.009 0.000 0.299 172 F C 2.263 177.960 175.800 -0.172 0.000 1.087 172 F CA 1.147 59.098 58.000 -0.082 0.000 1.340 172 F CB -0.593 38.366 39.000 -0.069 0.000 1.031 172 F HN 0.201 8.501 8.300 -0.000 0.000 0.500 173 G N 0.300 109.127 108.800 0.045 0.000 2.422 173 G HA2 -0.241 3.713 3.960 -0.010 0.000 0.218 173 G HA3 -0.241 3.713 3.960 -0.010 0.000 0.218 173 G C 1.852 176.672 174.900 -0.133 0.000 1.146 173 G CA 0.615 45.747 45.100 0.053 0.000 0.769 173 G HN 0.308 8.598 8.290 -0.000 0.000 0.547 174 R N -0.033 120.417 120.500 -0.083 0.000 2.115 174 R HA -0.014 4.320 4.340 -0.010 0.000 0.230 174 R C 2.413 178.593 176.300 -0.201 0.000 1.111 174 R CA 1.227 57.269 56.100 -0.098 0.000 0.976 174 R CB -0.180 30.094 30.300 -0.045 0.000 0.870 174 R HN 0.379 8.649 8.270 -0.000 0.000 0.445 175 E N 0.707 120.721 120.200 -0.309 0.000 2.110 175 E HA -0.124 4.221 4.350 -0.010 0.000 0.193 175 E C 1.826 178.128 176.600 -0.497 0.000 0.988 175 E CA 0.975 57.146 56.400 -0.382 0.000 0.804 175 E CB 0.017 29.444 29.700 -0.455 0.000 0.745 175 E HN 0.013 8.373 8.360 -0.000 0.000 0.458 176 V N -0.288 119.188 119.914 -0.730 0.000 2.295 176 V HA -0.248 3.866 4.120 -0.010 0.000 0.246 176 V C 2.337 178.220 176.094 -0.353 0.000 1.049 176 V CA 1.585 63.475 62.300 -0.684 0.000 1.024 176 V CB -0.414 30.775 31.823 -1.057 0.000 0.648 176 V HN 0.199 8.389 8.190 -0.000 0.000 0.447 177 V N -0.239 119.524 119.914 -0.252 0.000 2.343 177 V HA -0.274 3.840 4.120 -0.010 0.000 0.247 177 V C 2.599 178.616 176.094 -0.129 0.000 1.051 177 V CA 2.099 64.320 62.300 -0.132 0.000 1.036 177 V CB -0.778 30.998 31.823 -0.078 0.000 0.654 177 V HN 0.468 8.658 8.190 -0.000 0.000 0.451 178 R N -0.412 119.997 120.500 -0.151 0.000 2.091 178 R HA -0.157 4.177 4.340 -0.010 0.000 0.238 178 R C 2.359 178.580 176.300 -0.133 0.000 1.136 178 R CA 1.415 57.439 56.100 -0.126 0.000 0.959 178 R CB -0.277 29.947 30.300 -0.126 0.000 0.856 178 R HN 0.486 8.756 8.270 -0.000 0.000 0.437 179 E N 0.408 120.505 120.200 -0.171 0.000 2.106 179 E HA -0.130 4.214 4.350 -0.010 0.000 0.192 179 E C 1.981 178.495 176.600 -0.143 0.000 0.984 179 E CA 1.142 57.446 56.400 -0.160 0.000 0.806 179 E CB -0.073 29.514 29.700 -0.188 0.000 0.750 179 E HN 0.374 8.734 8.360 -0.000 0.000 0.458 180 M N 0.705 120.229 119.600 -0.126 0.000 2.117 180 M HA -0.154 4.320 4.480 -0.010 0.000 0.262 180 M C 1.761 178.010 176.300 -0.085 0.000 1.065 180 M CA 1.031 56.282 55.300 -0.083 0.000 1.114 180 M CB -0.262 32.315 32.600 -0.039 0.000 1.361 180 M HN -0.012 8.278 8.290 -0.000 0.000 0.408 181 N N 0.240 118.891 118.700 -0.082 0.000 2.120 181 N HA -0.164 4.570 4.740 -0.010 0.000 0.188 181 N C 1.671 177.128 175.510 -0.089 0.000 1.024 181 N CA 1.237 54.246 53.050 -0.068 0.000 0.852 181 N CB -0.496 37.955 38.487 -0.060 0.000 1.003 181 N HN 0.371 8.751 8.380 -0.000 0.000 0.424 182 R N 1.080 121.514 120.500 -0.110 0.000 2.092 182 R HA -0.038 4.296 4.340 -0.010 0.000 0.231 182 R C 1.397 177.587 176.300 -0.184 0.000 1.119 182 R CA 1.052 57.080 56.100 -0.121 0.000 0.970 182 R CB 0.157 30.390 30.300 -0.112 0.000 0.864 182 R HN 0.123 8.393 8.270 -0.000 0.000 0.440 183 E N -0.777 119.264 120.200 -0.264 0.000 2.152 183 E HA -0.031 4.314 4.350 -0.010 0.000 0.192 183 E C 1.058 177.273 176.600 -0.642 0.000 0.983 183 E CA 1.193 57.270 56.400 -0.537 0.000 0.818 183 E CB 0.236 29.566 29.700 -0.616 0.000 0.758 183 E HN 0.635 8.995 8.360 -0.000 0.000 0.467 184 G N 1.463 110.099 108.800 -0.273 0.000 2.138 184 G HA2 -0.258 3.696 3.960 -0.010 0.000 0.193 184 G HA3 -0.258 3.696 3.960 -0.010 0.000 0.193 184 G C 0.120 175.108 174.900 0.146 0.000 0.998 184 G CA 0.327 45.397 45.100 -0.049 0.000 0.668 184 G HN 0.224 8.514 8.290 -0.000 0.000 0.516 185 M N 1.423 121.082 119.600 0.098 0.000 2.144 185 M HA 0.617 5.091 4.480 -0.010 0.000 0.356 185 M C 0.502 176.888 176.300 0.144 0.000 1.217 185 M CA -0.663 54.777 55.300 0.234 0.000 1.087 185 M CB 0.488 33.231 32.600 0.238 0.000 1.609 185 M HN 0.134 8.424 8.290 -0.000 0.000 0.467 186 L N 5.198 126.525 121.223 0.173 0.000 2.455 186 L HA 0.161 4.495 4.340 -0.010 0.000 0.272 186 L C -0.413 176.499 176.870 0.070 0.000 1.174 186 L CA -0.552 54.346 54.840 0.097 0.000 0.869 186 L CB 0.705 42.810 42.059 0.078 0.000 1.130 186 L HN 0.427 8.657 8.230 -0.000 0.000 0.474 187 V N 2.595 122.506 119.914 -0.005 0.000 2.427 187 V HA 0.049 4.164 4.120 -0.010 0.000 0.268 187 V C 0.023 176.033 176.094 -0.140 0.000 1.046 187 V CA -0.163 62.115 62.300 -0.035 0.000 0.970 187 V CB 1.173 32.964 31.823 -0.055 0.000 1.001 187 V HN 0.634 8.824 8.190 -0.000 0.000 0.476 188 D N 4.608 124.928 120.400 -0.134 0.000 2.280 188 D HA 0.344 4.978 4.640 -0.010 0.000 0.236 188 D C 0.400 176.525 176.300 -0.291 0.000 1.082 188 D CA -0.301 53.525 54.000 -0.291 0.000 0.834 188 D CB 1.522 42.131 40.800 -0.319 0.000 1.100 188 D HN 0.407 8.777 8.370 -0.000 0.000 0.486 189 L N 2.067 122.945 121.223 -0.576 0.000 2.700 189 L HA 0.219 4.553 4.340 -0.010 0.000 0.234 189 L C 0.815 177.486 176.870 -0.331 0.000 1.156 189 L CA -0.260 54.230 54.840 -0.584 0.000 0.946 189 L CB 0.047 41.494 42.059 -1.021 0.000 1.216 189 L HN 0.196 8.426 8.230 -0.000 0.000 0.493 190 S N -0.839 114.723 115.700 -0.230 0.000 2.584 190 S HA 0.115 4.579 4.470 -0.010 0.000 0.270 190 S C 0.914 175.453 174.600 -0.102 0.000 1.346 190 S CA -0.254 57.841 58.200 -0.175 0.000 1.018 190 S CB 0.309 63.242 63.200 -0.445 0.000 0.899 190 S HN 0.443 8.753 8.310 -0.000 0.000 0.542 191 H N -2.648 116.286 119.070 -0.226 0.000 4.653 191 H HA -0.184 4.366 4.556 -0.010 0.000 0.118 191 H C 0.434 175.692 175.328 -0.117 0.000 0.678 191 H CA 1.387 57.325 56.048 -0.184 0.000 1.231 191 H CB -2.044 27.631 29.762 -0.144 0.000 0.721 191 H HN 0.553 8.833 8.280 -0.000 0.000 0.541 192 V N -0.529 119.396 119.914 0.018 0.000 2.904 192 V HA 0.810 4.924 4.120 -0.010 0.000 0.305 192 V C 1.002 177.095 176.094 -0.001 0.000 1.067 192 V CA -0.104 62.198 62.300 0.003 0.000 1.044 192 V CB 1.626 33.445 31.823 -0.007 0.000 1.050 192 V HN 0.447 8.637 8.190 -0.000 0.000 0.475 193 A N 2.711 125.527 122.820 -0.006 0.000 2.406 193 A HA 0.666 4.980 4.320 -0.010 0.000 0.243 193 A C 1.643 179.235 177.584 0.013 0.000 1.082 193 A CA 0.183 52.216 52.037 -0.007 0.000 0.786 193 A CB 0.164 19.158 19.000 -0.011 0.000 1.029 193 A HN 2.042 10.191 8.150 -0.000 0.000 0.495 194 A N 0.735 123.561 122.820 0.009 0.000 1.940 194 A HA -0.120 4.194 4.320 -0.010 0.000 0.219 194 A C 2.229 179.829 177.584 0.026 0.000 1.176 194 A CA 2.689 54.741 52.037 0.024 0.000 0.631 194 A CB -1.527 17.477 19.000 0.006 0.000 0.814 194 A HN 1.385 9.535 8.150 -0.000 0.000 0.446 195 T N -2.747 111.816 114.554 0.016 0.000 2.746 195 T HA -0.162 4.182 4.350 -0.010 0.000 0.267 195 T C 1.808 176.524 174.700 0.025 0.000 1.039 195 T CA 2.079 64.190 62.100 0.018 0.000 1.142 195 T CB -1.187 67.689 68.868 0.013 0.000 0.866 195 T HN 0.363 8.603 8.240 -0.000 0.000 0.444 196 T N 2.201 116.770 114.554 0.025 0.000 2.788 196 T HA 0.044 4.388 4.350 -0.010 0.000 0.268 196 T C 2.058 176.774 174.700 0.027 0.000 1.044 196 T CA 1.511 63.629 62.100 0.030 0.000 1.139 196 T CB -0.472 68.409 68.868 0.021 0.000 0.867 196 T HN 0.361 8.601 8.240 -0.000 0.000 0.454 197 M N 0.690 120.312 119.600 0.037 0.000 2.080 197 M HA -0.104 4.370 4.480 -0.010 0.000 0.260 197 M C 2.567 178.895 176.300 0.047 0.000 1.068 197 M CA 1.743 57.075 55.300 0.054 0.000 1.109 197 M CB -0.413 32.277 32.600 0.151 0.000 1.342 197 M HN 0.119 8.409 8.290 -0.000 0.000 0.405 198 R N 0.171 120.697 120.500 0.044 0.000 2.075 198 R HA -0.119 4.216 4.340 -0.010 0.000 0.232 198 R C 1.721 178.034 176.300 0.021 0.000 1.126 198 R CA 1.320 57.438 56.100 0.031 0.000 0.963 198 R CB -0.512 29.803 30.300 0.025 0.000 0.858 198 R HN 0.367 8.637 8.270 -0.000 0.000 0.435 199 D N 0.801 121.215 120.400 0.023 0.000 2.117 199 D HA -0.099 4.536 4.640 -0.010 0.000 0.197 199 D C 1.831 178.139 176.300 0.015 0.000 0.987 199 D CA 1.475 55.488 54.000 0.022 0.000 0.829 199 D CB -0.218 40.602 40.800 0.035 0.000 0.961 199 D HN 0.234 8.604 8.370 -0.000 0.000 0.460 200 A N 0.421 123.248 122.820 0.011 0.000 1.898 200 A HA -0.090 4.224 4.320 -0.010 0.000 0.216 200 A C 2.331 179.906 177.584 -0.015 0.000 1.181 200 A CA 0.819 52.853 52.037 -0.006 0.000 0.620 200 A CB -0.728 18.257 19.000 -0.026 0.000 0.819 200 A HN 0.206 8.356 8.150 -0.000 0.000 0.442 201 L N -0.548 120.671 121.223 -0.007 0.000 2.141 201 L HA -0.161 4.173 4.340 -0.010 0.000 0.209 201 L C 1.891 178.758 176.870 -0.005 0.000 1.094 201 L CA 1.163 56.001 54.840 -0.004 0.000 0.763 201 L CB -0.459 41.608 42.059 0.014 0.000 0.908 201 L HN 0.290 8.520 8.230 -0.000 0.000 0.437 202 D N -0.853 119.546 120.400 -0.002 0.000 2.144 202 D HA -0.126 4.508 4.640 -0.010 0.000 0.200 202 D C 2.166 178.461 176.300 -0.010 0.000 0.978 202 D CA 1.529 55.527 54.000 -0.004 0.000 0.833 202 D CB -0.057 40.744 40.800 0.001 0.000 0.961 202 D HN 0.234 8.604 8.370 -0.000 0.000 0.470 203 T N -0.355 114.191 114.554 -0.012 0.000 2.894 203 T HA -0.031 4.313 4.350 -0.010 0.000 0.258 203 T C 1.183 175.866 174.700 -0.028 0.000 1.043 203 T CA 0.270 62.358 62.100 -0.021 0.000 1.141 203 T CB -0.060 68.793 68.868 -0.025 0.000 0.873 203 T HN -0.033 8.207 8.240 -0.000 0.000 0.449 204 S N 2.098 117.781 115.700 -0.028 0.000 2.537 204 S HA 0.090 4.554 4.470 -0.010 0.000 0.286 204 S C 1.318 175.904 174.600 -0.025 0.000 1.299 204 S CA -0.054 58.127 58.200 -0.031 0.000 1.067 204 S CB 0.508 63.688 63.200 -0.033 0.000 0.864 204 S HN 0.556 8.866 8.310 -0.000 0.000 0.494 205 T N 1.975 116.514 114.554 -0.026 0.000 3.105 205 T HA 0.586 4.930 4.350 -0.010 0.000 0.253 205 T C 0.215 174.907 174.700 -0.014 0.000 1.047 205 T CA 0.025 62.113 62.100 -0.020 0.000 0.944 205 T CB 0.112 68.966 68.868 -0.023 0.000 1.016 205 T HN 0.655 8.895 8.240 -0.000 0.000 0.544 206 A N 1.564 124.376 122.820 -0.014 0.000 2.423 206 A HA 0.819 5.133 4.320 -0.010 0.000 0.304 206 A C -3.078 174.504 177.584 -0.003 0.000 1.104 206 A CA -2.357 49.677 52.037 -0.005 0.000 0.757 206 A CB 1.060 20.057 19.000 -0.005 0.000 1.313 206 A HN 0.088 8.238 8.150 -0.000 0.000 0.423 207 P HA 0.250 4.670 4.420 -0.000 0.000 0.265 207 P C -0.122 177.174 177.300 -0.006 0.000 1.193 207 P CA 0.167 63.277 63.100 0.016 0.000 0.765 207 P CB 0.628 32.351 31.700 0.039 0.000 0.823 208 V N 2.272 122.172 119.914 -0.023 0.000 3.093 208 V HA 0.764 4.878 4.120 -0.010 0.000 0.320 208 V C -0.006 176.030 176.094 -0.097 0.000 1.093 208 V CA -0.835 61.414 62.300 -0.086 0.000 1.016 208 V CB 1.547 33.287 31.823 -0.139 0.000 1.096 208 V HN 0.507 8.697 8.190 -0.000 0.000 0.452 209 I N -1.837 118.605 120.570 -0.214 0.000 3.145 209 I HA 0.730 4.895 4.170 -0.010 0.000 0.313 209 I C -1.631 174.242 176.117 -0.406 0.000 1.122 209 I CA -0.999 60.187 61.300 -0.189 0.000 0.987 209 I CB 2.620 40.484 38.000 -0.227 0.000 1.236 209 I HN 0.546 8.756 8.210 -0.000 0.000 0.453 210 F N 1.691 121.543 119.950 -0.163 0.000 2.513 210 F HA 0.292 4.812 4.527 -0.010 0.000 0.358 210 F C 1.320 177.005 175.800 -0.192 0.000 1.118 210 F CA -0.475 57.420 58.000 -0.176 0.000 1.037 210 F CB 2.028 40.949 39.000 -0.132 0.000 1.276 210 F HN 0.650 8.950 8.300 -0.000 0.000 0.446 211 S N 0.804 116.411 115.700 -0.155 0.000 2.447 211 S HA -0.136 4.328 4.470 -0.010 0.000 0.233 211 S C 0.453 175.139 174.600 0.143 0.000 1.006 211 S CA 1.226 59.353 58.200 -0.121 0.000 0.957 211 S CB -0.459 62.546 63.200 -0.326 0.000 0.773 211 S HN 0.692 9.002 8.310 -0.000 0.000 0.507 212 H N -1.217 117.786 119.070 -0.113 0.000 2.888 212 H HA 0.650 5.200 4.556 -0.010 0.000 0.280 212 H C -1.538 173.725 175.328 -0.110 0.000 1.431 212 H CA -0.722 55.260 56.048 -0.110 0.000 1.573 212 H CB -0.430 29.257 29.762 -0.126 0.000 1.924 212 H HN 0.093 8.373 8.280 -0.000 0.000 0.645 213 S N 0.984 116.626 115.700 -0.096 0.000 2.541 213 S HA 0.678 5.143 4.470 -0.010 0.000 0.271 213 S C -0.293 174.232 174.600 -0.125 0.000 1.133 213 S CA -0.504 57.596 58.200 -0.166 0.000 0.876 213 S CB 2.590 65.706 63.200 -0.141 0.000 1.105 213 S HN 0.556 8.866 8.310 -0.000 0.000 0.470 214 S N 0.784 116.401 115.700 -0.138 0.000 2.694 214 S HA 0.637 5.102 4.470 -0.010 0.000 0.286 214 S C -0.222 174.403 174.600 0.042 0.000 1.080 214 S CA -0.664 57.495 58.200 -0.069 0.000 0.953 214 S CB 1.110 64.130 63.200 -0.300 0.000 1.313 214 S HN 0.651 8.961 8.310 -0.000 0.000 0.555 215 S N 0.177 116.094 115.700 0.361 0.000 2.438 215 S HA 0.316 4.780 4.470 -0.010 0.000 0.293 215 S C 0.826 175.514 174.600 0.148 0.000 1.141 215 S CA -0.595 57.744 58.200 0.231 0.000 1.080 215 S CB 0.549 63.899 63.200 0.249 0.000 0.978 215 S HN 0.615 8.925 8.310 -0.000 0.000 0.479 216 R N 3.604 124.132 120.500 0.048 0.000 2.115 216 R HA 0.006 4.340 4.340 -0.010 0.000 0.226 216 R C 2.099 178.391 176.300 -0.013 0.000 1.100 216 R CA 1.383 57.497 56.100 0.024 0.000 0.980 216 R CB -0.458 29.837 30.300 -0.008 0.000 0.875 216 R HN 0.782 9.052 8.270 -0.000 0.000 0.445 217 A N 0.012 122.804 122.820 -0.048 0.000 1.930 217 A HA -0.076 4.238 4.320 -0.010 0.000 0.217 217 A C 2.109 179.543 177.584 -0.250 0.000 1.175 217 A CA 1.282 53.229 52.037 -0.151 0.000 0.627 217 A CB -0.238 18.638 19.000 -0.207 0.000 0.815 217 A HN 0.202 8.352 8.150 -0.000 0.000 0.443 218 V N -2.203 117.535 119.914 -0.294 0.000 2.488 218 V HA -0.066 4.049 4.120 -0.010 0.000 0.246 218 V C 1.060 177.038 176.094 -0.192 0.000 1.046 218 V CA 1.296 63.376 62.300 -0.367 0.000 1.053 218 V CB -0.293 31.111 31.823 -0.699 0.000 0.679 218 V HN 0.624 8.814 8.190 -0.000 0.000 0.458 219 C N 0.892 120.176 119.300 -0.026 0.000 2.571 219 C HA 0.384 4.838 4.460 -0.010 0.000 0.343 219 C C -0.543 174.515 174.990 0.114 0.000 1.082 219 C CA -1.238 57.841 59.018 0.101 0.000 1.339 219 C CB 0.081 27.979 27.740 0.263 0.000 1.893 219 C HN 0.481 8.711 8.230 -0.000 0.000 0.445 220 D N 4.264 124.706 120.400 0.070 0.000 2.357 220 D HA 0.187 4.821 4.640 -0.010 0.000 0.265 220 D C -0.148 176.212 176.300 0.101 0.000 1.334 220 D CA 1.145 55.178 54.000 0.055 0.000 0.984 220 D CB -0.059 40.750 40.800 0.016 0.000 1.077 220 D HN 0.755 9.125 8.370 -0.000 0.000 0.514 221 H N 4.213 123.274 119.070 -0.014 0.000 2.954 221 H HA 0.212 4.763 4.556 -0.009 0.000 0.361 221 H C -2.244 173.017 175.328 -0.113 0.000 1.122 221 H CA -1.451 54.572 56.048 -0.040 0.000 1.217 221 H CB 2.576 32.334 29.762 -0.007 0.000 1.776 221 H HN 0.111 8.391 8.280 -0.000 0.000 0.533 222 P HA -0.120 4.300 4.420 -0.000 0.000 0.221 222 P C 1.175 178.425 177.300 -0.083 0.000 1.145 222 P CA 0.709 63.731 63.100 -0.131 0.000 0.795 222 P CB 0.405 31.985 31.700 -0.199 0.000 0.775 223 R N -0.766 119.730 120.500 -0.008 0.000 2.276 223 R HA 0.110 4.445 4.340 -0.010 0.000 0.203 223 R C 0.647 176.724 176.300 -0.371 0.000 1.017 223 R CA 0.317 56.163 56.100 -0.425 0.000 1.010 223 R CB -0.486 29.054 30.300 -1.267 0.000 0.900 223 R HN 0.317 8.587 8.270 -0.000 0.000 0.469 224 N N 0.389 118.973 118.700 -0.193 0.000 2.482 224 N HA 0.274 5.008 4.740 -0.010 0.000 0.279 224 N C -0.008 175.424 175.510 -0.129 0.000 1.182 224 N CA -0.454 52.509 53.050 -0.145 0.000 0.969 224 N CB 1.201 39.667 38.487 -0.034 0.000 1.201 224 N HN -0.114 8.266 8.380 -0.000 0.000 0.523 225 I N 1.612 122.076 120.570 -0.177 0.000 2.342 225 I HA 0.281 4.445 4.170 -0.010 0.000 0.291 225 I C -2.105 173.938 176.117 -0.123 0.000 1.010 225 I CA -1.816 59.341 61.300 -0.237 0.000 1.308 225 I CB 1.236 38.911 38.000 -0.541 0.000 1.400 225 I HN 0.164 8.374 8.210 -0.000 0.000 0.488 226 P HA 0.099 4.519 4.420 -0.000 0.000 0.274 226 P C -0.123 177.158 177.300 -0.032 0.000 1.231 226 P CA -0.215 62.863 63.100 -0.036 0.000 0.790 226 P CB 0.760 32.446 31.700 -0.023 0.000 0.951 227 D N 0.851 121.257 120.400 0.009 0.000 2.123 227 D HA -0.191 4.444 4.640 -0.010 0.000 0.196 227 D C 1.441 177.731 176.300 -0.018 0.000 0.992 227 D CA 1.387 55.396 54.000 0.015 0.000 0.833 227 D CB -0.486 40.352 40.800 0.063 0.000 0.954 227 D HN 0.567 8.937 8.370 -0.000 0.000 0.455 228 D N 0.466 120.859 120.400 -0.011 0.000 2.218 228 D HA -0.122 4.512 4.640 -0.010 0.000 0.204 228 D C 1.962 178.252 176.300 -0.016 0.000 0.976 228 D CA 0.682 54.674 54.000 -0.013 0.000 0.853 228 D CB -0.276 40.521 40.800 -0.006 0.000 0.939 228 D HN 0.137 8.507 8.370 -0.000 0.000 0.481 229 V N 1.037 120.940 119.914 -0.019 0.000 2.407 229 V HA -0.132 3.982 4.120 -0.010 0.000 0.245 229 V C 2.837 178.911 176.094 -0.033 0.000 1.041 229 V CA 0.702 63.001 62.300 -0.002 0.000 1.040 229 V CB -0.424 31.410 31.823 0.019 0.000 0.671 229 V HN 0.167 8.357 8.190 -0.000 0.000 0.455 230 L N -0.078 121.093 121.223 -0.086 0.000 2.079 230 L HA -0.209 4.126 4.340 -0.010 0.000 0.210 230 L C 2.539 179.358 176.870 -0.085 0.000 1.081 230 L CA 1.672 56.449 54.840 -0.106 0.000 0.752 230 L CB -0.626 41.363 42.059 -0.116 0.000 0.896 230 L HN 0.418 8.648 8.230 -0.000 0.000 0.433 231 E N -0.087 120.070 120.200 -0.071 0.000 2.204 231 E HA -0.190 4.154 4.350 -0.010 0.000 0.195 231 E C 2.098 178.650 176.600 -0.080 0.000 0.990 231 E CA 0.696 57.053 56.400 -0.072 0.000 0.821 231 E CB -0.015 29.654 29.700 -0.052 0.000 0.750 231 E HN 0.476 8.836 8.360 -0.000 0.000 0.477 232 R N 0.255 120.718 120.500 -0.061 0.000 2.299 232 R HA 0.071 4.405 4.340 -0.010 0.000 0.197 232 R C 2.143 178.387 176.300 -0.094 0.000 0.971 232 R CA 0.129 56.194 56.100 -0.058 0.000 1.030 232 R CB 0.021 30.310 30.300 -0.019 0.000 0.932 232 R HN 0.176 8.446 8.270 -0.000 0.000 0.477 233 L N -0.035 121.107 121.223 -0.134 0.000 2.083 233 L HA -0.177 4.157 4.340 -0.010 0.000 0.209 233 L C 2.557 179.108 176.870 -0.531 0.000 1.083 233 L CA 1.133 55.842 54.840 -0.218 0.000 0.752 233 L CB -0.450 41.513 42.059 -0.160 0.000 0.899 233 L HN 0.195 8.425 8.230 -0.000 0.000 0.433 234 S N -0.141 115.190 115.700 -0.616 0.000 2.356 234 S HA -0.210 4.254 4.470 -0.010 0.000 0.223 234 S C 2.136 176.602 174.600 -0.223 0.000 1.032 234 S CA 1.395 59.227 58.200 -0.613 0.000 1.005 234 S CB -0.074 62.980 63.200 -0.244 0.000 0.867 234 S HN 0.446 8.756 8.310 -0.000 0.000 0.449 235 A N 2.201 124.936 122.820 -0.142 0.000 1.898 235 A HA -0.106 4.208 4.320 -0.010 0.000 0.216 235 A C 2.120 179.677 177.584 -0.046 0.000 1.181 235 A CA 1.707 53.705 52.037 -0.064 0.000 0.620 235 A CB -1.020 17.950 19.000 -0.049 0.000 0.819 235 A HN 0.765 8.915 8.150 -0.000 0.000 0.442 236 N N -0.565 118.098 118.700 -0.061 0.000 2.270 236 N HA -0.032 4.702 4.740 -0.010 0.000 0.181 236 N C 1.284 176.797 175.510 0.004 0.000 1.016 236 N CA 1.721 54.756 53.050 -0.025 0.000 0.870 236 N CB -0.117 38.358 38.487 -0.020 0.000 0.979 236 N HN 0.657 9.037 8.380 -0.000 0.000 0.431 237 G N -0.459 108.345 108.800 0.008 0.000 2.176 237 G HA2 -0.210 3.744 3.960 -0.010 0.000 0.253 237 G HA3 -0.210 3.744 3.960 -0.010 0.000 0.253 237 G C 0.435 175.454 174.900 0.198 0.000 0.979 237 G CA 0.545 45.731 45.100 0.142 0.000 0.641 237 G HN 0.736 9.026 8.290 -0.000 0.000 0.530 238 G N -0.308 108.573 108.800 0.134 0.000 2.494 238 G HA2 0.810 4.764 3.960 -0.010 0.000 0.270 238 G HA3 0.810 4.764 3.960 -0.010 0.000 0.270 238 G C 0.144 175.184 174.900 0.235 0.000 1.423 238 G CA 0.078 45.262 45.100 0.141 0.000 1.055 238 G HN 1.458 9.748 8.290 -0.000 0.000 0.536 239 M N -2.285 117.420 119.600 0.174 0.000 2.465 239 M HA 0.698 5.172 4.480 -0.010 0.000 0.284 239 M C -1.240 175.183 176.300 0.205 0.000 1.212 239 M CA -1.077 54.333 55.300 0.184 0.000 0.910 239 M CB 2.279 34.947 32.600 0.112 0.000 1.725 239 M HN 0.712 9.002 8.290 -0.000 0.000 0.477 240 A N 3.966 126.885 122.820 0.166 0.000 2.271 240 A HA 0.799 5.113 4.320 -0.010 0.000 0.317 240 A C -0.703 176.933 177.584 0.086 0.000 1.245 240 A CA -0.742 51.369 52.037 0.124 0.000 0.857 240 A CB 0.649 19.600 19.000 -0.081 0.000 1.175 240 A HN 0.968 9.118 8.150 -0.000 0.000 0.512 241 M N 3.841 123.492 119.600 0.084 0.000 2.111 241 M HA 0.206 4.680 4.480 -0.010 0.000 0.351 241 M C 0.008 176.330 176.300 0.036 0.000 1.214 241 M CA -0.509 54.824 55.300 0.056 0.000 1.120 241 M CB 1.182 33.802 32.600 0.032 0.000 1.443 241 M HN 0.465 8.755 8.290 -0.000 0.000 0.429 242 V N 3.486 123.431 119.914 0.052 0.000 2.720 242 V HA 0.019 4.133 4.120 -0.010 0.000 0.307 242 V C 0.388 176.470 176.094 -0.019 0.000 1.071 242 V CA 1.055 63.384 62.300 0.048 0.000 1.199 242 V CB 1.297 33.198 31.823 0.130 0.000 0.900 242 V HN 0.915 9.105 8.190 -0.000 0.000 0.494 243 T N 5.885 120.416 114.554 -0.037 0.000 2.949 243 T HA 0.537 4.882 4.350 -0.010 0.000 0.287 243 T C 0.204 174.949 174.700 0.074 0.000 1.034 243 T CA -0.482 61.541 62.100 -0.129 0.000 1.018 243 T CB 0.925 69.783 68.868 -0.017 0.000 1.135 243 T HN 0.486 8.726 8.240 -0.000 0.000 0.532 244 F N 0.878 120.753 119.950 -0.126 0.000 2.721 244 F HA 0.315 4.836 4.527 -0.010 0.000 0.301 244 F C 0.994 176.691 175.800 -0.171 0.000 1.096 244 F CA -0.852 57.045 58.000 -0.173 0.000 1.308 244 F CB -0.786 38.058 39.000 -0.261 0.000 1.086 244 F HN 0.170 8.470 8.300 -0.000 0.000 0.587 245 V N 4.366 124.274 119.914 -0.009 0.000 2.539 245 V HA -0.114 4.001 4.120 -0.010 0.000 0.294 245 V C -1.130 174.859 176.094 -0.175 0.000 0.994 245 V CA -0.364 61.827 62.300 -0.181 0.000 1.169 245 V CB 0.158 31.672 31.823 -0.515 0.000 0.898 245 V HN 0.028 8.218 8.190 -0.000 0.000 0.471 246 P HA -0.201 4.219 4.420 -0.000 0.000 0.216 246 P C 1.476 178.724 177.300 -0.088 0.000 1.157 246 P CA 1.450 64.502 63.100 -0.080 0.000 0.880 246 P CB 0.036 31.698 31.700 -0.063 0.000 0.791 247 K N -2.109 118.191 120.400 -0.166 0.000 2.574 247 K HA -0.019 4.295 4.320 -0.010 0.000 0.193 247 K C 0.803 177.402 176.600 -0.003 0.000 1.035 247 K CA 1.057 57.297 56.287 -0.078 0.000 0.982 247 K CB -0.503 31.959 32.500 -0.063 0.000 0.795 247 K HN 0.100 8.350 8.250 -0.000 0.000 0.491 248 F N 0.221 120.062 119.950 -0.183 0.000 2.557 248 F HA 0.059 4.580 4.527 -0.010 0.000 0.278 248 F C 2.094 177.805 175.800 -0.148 0.000 1.051 248 F CA -0.188 57.619 58.000 -0.321 0.000 1.357 248 F CB -0.249 38.541 39.000 -0.350 0.000 1.104 248 F HN -0.037 8.263 8.300 -0.000 0.000 0.654 249 V N -1.533 118.416 119.914 0.059 0.000 2.992 249 V HA 0.197 4.311 4.120 -0.010 0.000 0.250 249 V C 0.551 176.771 176.094 0.210 0.000 1.090 249 V CA 0.366 62.666 62.300 0.001 0.000 1.101 249 V CB -0.286 31.421 31.823 -0.193 0.000 0.743 249 V HN 0.035 8.225 8.190 -0.000 0.000 0.468 250 L N 1.386 122.678 121.223 0.114 0.000 2.264 250 L HA 0.500 4.834 4.340 -0.010 0.000 0.289 250 L C 1.263 178.197 176.870 0.106 0.000 1.044 250 L CA 0.078 54.977 54.840 0.098 0.000 0.807 250 L CB 1.454 43.534 42.059 0.036 0.000 1.192 250 L HN 0.242 8.472 8.230 -0.000 0.000 0.425 251 Q N 4.565 124.425 119.800 0.099 0.000 2.077 251 Q HA -0.195 4.139 4.340 -0.010 0.000 0.206 251 Q C 1.770 177.829 176.000 0.099 0.000 0.989 251 Q CA 2.546 58.405 55.803 0.094 0.000 0.853 251 Q CB -0.121 28.653 28.738 0.060 0.000 0.907 251 Q HN 0.878 9.148 8.270 -0.000 0.000 0.418 252 A N -0.056 122.811 122.820 0.079 0.000 1.972 252 A HA -0.041 4.273 4.320 -0.010 0.000 0.219 252 A C 2.241 179.908 177.584 0.138 0.000 1.169 252 A CA 1.872 53.964 52.037 0.091 0.000 0.635 252 A CB -1.026 18.002 19.000 0.047 0.000 0.810 252 A HN 0.531 8.681 8.150 -0.000 0.000 0.446 253 A N -0.691 122.191 122.820 0.102 0.000 1.929 253 A HA 0.090 4.404 4.320 -0.010 0.000 0.216 253 A C 2.192 179.912 177.584 0.228 0.000 1.176 253 A CA 1.509 53.620 52.037 0.124 0.000 0.628 253 A CB -0.760 18.255 19.000 0.025 0.000 0.816 253 A HN 0.340 8.490 8.150 -0.000 0.000 0.444 254 V N 0.830 120.865 119.914 0.201 0.000 2.295 254 V HA -0.244 3.870 4.120 -0.010 0.000 0.246 254 V C 2.139 178.361 176.094 0.212 0.000 1.049 254 V CA 2.319 64.764 62.300 0.241 0.000 1.024 254 V CB -0.767 31.200 31.823 0.240 0.000 0.648 254 V HN 0.506 8.696 8.190 -0.000 0.000 0.447 255 D N -1.387 119.126 120.400 0.188 0.000 2.117 255 D HA -0.208 4.426 4.640 -0.010 0.000 0.198 255 D C 1.724 178.149 176.300 0.208 0.000 0.982 255 D CA 1.335 55.431 54.000 0.160 0.000 0.828 255 D CB -0.297 40.586 40.800 0.139 0.000 0.967 255 D HN 0.640 9.010 8.370 -0.000 0.000 0.464 256 W N 1.825 123.183 121.300 0.096 0.000 2.355 256 W HA -0.208 4.446 4.660 -0.010 0.000 0.309 256 W C 2.281 178.895 176.519 0.159 0.000 1.206 256 W CA 2.171 59.607 57.345 0.152 0.000 1.284 256 W CB -0.493 29.035 29.460 0.112 0.000 1.145 256 W HN -0.155 8.025 8.180 -0.000 0.000 0.502 257 T N 0.525 115.297 114.554 0.364 0.000 2.788 257 T HA -0.206 4.138 4.350 -0.010 0.000 0.268 257 T C 1.906 176.581 174.700 -0.042 0.000 1.044 257 T CA 1.912 64.111 62.100 0.165 0.000 1.139 257 T CB -0.884 68.149 68.868 0.275 0.000 0.867 257 T HN 0.268 8.508 8.240 -0.000 0.000 0.454 258 A N 1.546 124.365 122.820 -0.002 0.000 1.902 258 A HA -0.127 4.187 4.320 -0.010 0.000 0.217 258 A C 2.204 179.687 177.584 -0.167 0.000 1.181 258 A CA 1.538 53.532 52.037 -0.073 0.000 0.623 258 A CB -0.484 18.501 19.000 -0.026 0.000 0.818 258 A HN 0.554 8.704 8.150 -0.000 0.000 0.443 259 E N -0.388 119.702 120.200 -0.183 0.000 2.106 259 E HA -0.055 4.289 4.350 -0.010 0.000 0.192 259 E C 2.287 178.471 176.600 -0.694 0.000 0.984 259 E CA 0.768 57.003 56.400 -0.275 0.000 0.806 259 E CB -0.237 29.421 29.700 -0.070 0.000 0.750 259 E HN 0.623 8.983 8.360 -0.000 0.000 0.458 260 A N 1.694 123.966 122.820 -0.913 0.000 1.898 260 A HA -0.206 4.109 4.320 -0.010 0.000 0.216 260 A C 1.668 178.901 177.584 -0.585 0.000 1.181 260 A CA 1.627 52.944 52.037 -1.200 0.000 0.620 260 A CB -0.281 18.192 19.000 -0.878 0.000 0.819 260 A HN 0.080 8.230 8.150 -0.000 0.000 0.442 261 D N 0.353 120.540 120.400 -0.355 0.000 2.117 261 D HA -0.114 4.520 4.640 -0.010 0.000 0.197 261 D C 1.311 177.496 176.300 -0.191 0.000 0.987 261 D CA 1.307 55.187 54.000 -0.200 0.000 0.829 261 D CB -0.391 40.282 40.800 -0.211 0.000 0.961 261 D HN 0.376 8.746 8.370 -0.000 0.000 0.460 262 D N 0.238 120.501 120.400 -0.229 0.000 2.117 262 D HA -0.141 4.493 4.640 -0.010 0.000 0.197 262 D C 1.749 177.972 176.300 -0.129 0.000 0.987 262 D CA 0.513 54.415 54.000 -0.164 0.000 0.829 262 D CB -0.399 40.310 40.800 -0.151 0.000 0.961 262 D HN 0.277 8.647 8.370 -0.000 0.000 0.460 263 N N 0.177 118.741 118.700 -0.227 0.000 2.166 263 N HA -0.143 4.591 4.740 -0.010 0.000 0.186 263 N C 1.735 177.301 175.510 0.093 0.000 1.019 263 N CA 0.854 53.841 53.050 -0.105 0.000 0.856 263 N CB 0.033 38.302 38.487 -0.364 0.000 0.993 263 N HN 0.020 8.400 8.380 -0.000 0.000 0.426 264 M N 1.101 120.700 119.600 -0.002 0.000 2.086 264 M HA -0.101 4.373 4.480 -0.010 0.000 0.261 264 M C 2.101 178.528 176.300 0.213 0.000 1.067 264 M CA 1.307 56.685 55.300 0.130 0.000 1.116 264 M CB -1.170 31.471 32.600 0.069 0.000 1.348 264 M HN 0.174 8.464 8.290 -0.000 0.000 0.407 265 R N -0.210 120.345 120.500 0.091 0.000 2.120 265 R HA -0.037 4.297 4.340 -0.010 0.000 0.234 265 R C 2.194 178.516 176.300 0.036 0.000 1.123 265 R CA 1.256 57.387 56.100 0.053 0.000 0.975 265 R CB -0.476 29.813 30.300 -0.019 0.000 0.866 265 R HN 0.397 8.667 8.270 -0.000 0.000 0.446 266 A N 0.420 123.268 122.820 0.047 0.000 2.019 266 A HA -0.154 4.160 4.320 -0.010 0.000 0.219 266 A C 1.001 178.517 177.584 -0.113 0.000 1.164 266 A CA 1.315 53.332 52.037 -0.034 0.000 0.644 266 A CB -0.370 18.603 19.000 -0.044 0.000 0.805 266 A HN 0.337 8.488 8.150 -0.000 0.000 0.449 267 H N -1.607 117.471 119.070 0.014 0.000 2.517 267 H HA 0.384 4.934 4.556 -0.010 0.000 0.282 267 H C 1.418 176.604 175.328 -0.236 0.000 1.023 267 H CA 0.361 56.403 56.048 -0.009 0.000 1.169 267 H CB 0.187 30.060 29.762 0.185 0.000 1.454 267 H HN 0.547 8.827 8.280 -0.000 0.000 0.556 268 G N -0.097 108.637 108.800 -0.111 0.000 2.136 268 G HA2 -0.278 3.676 3.960 -0.010 0.000 0.242 268 G HA3 -0.278 3.676 3.960 -0.010 0.000 0.242 268 G C -0.288 174.432 174.900 -0.301 0.000 0.989 268 G CA -0.155 44.804 45.100 -0.234 0.000 0.682 268 G HN 0.212 8.502 8.290 -0.000 0.000 0.522 269 F N 0.517 120.518 119.950 0.085 0.000 2.492 269 F HA 0.565 5.086 4.527 -0.010 0.000 0.327 269 F C 0.799 176.658 175.800 0.099 0.000 1.079 269 F CA -1.551 56.502 58.000 0.089 0.000 0.967 269 F CB 1.087 40.133 39.000 0.076 0.000 1.169 269 F HN 0.137 8.437 8.300 -0.000 0.000 0.472 270 H N 3.405 122.621 119.070 0.244 0.000 2.732 270 H HA 0.003 4.553 4.556 -0.010 0.000 0.351 270 H C 1.458 176.861 175.328 0.125 0.000 1.090 270 H CA 0.206 56.346 56.048 0.154 0.000 1.431 270 H CB 0.717 30.527 29.762 0.080 0.000 1.447 270 H HN 0.812 9.092 8.280 -0.000 0.000 0.582 271 H N 4.646 123.641 119.070 -0.125 0.000 2.541 271 H HA -0.075 4.475 4.556 -0.010 0.000 0.289 271 H C 1.005 176.397 175.328 0.107 0.000 1.054 271 H CA 0.862 56.891 56.048 -0.031 0.000 1.250 271 H CB -0.011 29.673 29.762 -0.130 0.000 1.369 271 H HN 0.536 8.816 8.280 -0.000 0.000 0.578 272 L N 0.558 121.757 121.223 -0.039 0.000 2.640 272 L HA 0.110 4.445 4.340 -0.010 0.000 0.230 272 L C 0.680 177.533 176.870 -0.028 0.000 1.123 272 L CA -0.218 54.566 54.840 -0.094 0.000 0.900 272 L CB 0.154 42.111 42.059 -0.170 0.000 1.146 272 L HN 0.052 8.282 8.230 -0.000 0.000 0.484 273 D N 1.199 121.623 120.400 0.039 0.000 2.487 273 D HA -0.054 4.580 4.640 -0.010 0.000 0.243 273 D C 0.824 177.080 176.300 -0.074 0.000 1.154 273 D CA 0.358 54.355 54.000 -0.004 0.000 0.876 273 D CB 1.235 42.071 40.800 0.061 0.000 1.161 273 D HN 0.154 8.524 8.370 -0.000 0.000 0.478 274 S N 1.033 116.697 115.700 -0.060 0.000 2.602 274 S HA 0.092 4.556 4.470 -0.010 0.000 0.240 274 S C 0.636 175.197 174.600 -0.064 0.000 0.992 274 S CA -0.535 57.632 58.200 -0.056 0.000 0.971 274 S CB -0.114 63.076 63.200 -0.017 0.000 0.855 274 S HN 0.387 8.697 8.310 -0.000 0.000 0.481 275 S N 2.439 118.083 115.700 -0.092 0.000 2.589 275 S HA 0.267 4.731 4.470 -0.010 0.000 0.265 275 S C -1.147 173.392 174.600 -0.101 0.000 1.342 275 S CA -0.734 57.422 58.200 -0.073 0.000 1.005 275 S CB 0.264 63.436 63.200 -0.048 0.000 0.909 275 S HN 0.203 8.513 8.310 -0.000 0.000 0.555 276 P HA -0.112 4.308 4.420 -0.000 0.000 0.218 276 P C 0.792 178.050 177.300 -0.070 0.000 1.148 276 P CA 1.289 64.364 63.100 -0.042 0.000 0.822 276 P CB 0.027 31.722 31.700 -0.008 0.000 0.784 277 E N 0.571 120.720 120.200 -0.085 0.000 2.072 277 E HA -0.069 4.275 4.350 -0.010 0.000 0.191 277 E C 2.358 178.738 176.600 -0.367 0.000 0.985 277 E CA 1.549 57.899 56.400 -0.084 0.000 0.801 277 E CB -1.280 28.488 29.700 0.114 0.000 0.750 277 E HN 0.216 8.576 8.360 -0.000 0.000 0.452 278 A N 0.734 123.119 122.820 -0.725 0.000 1.898 278 A HA -0.156 4.158 4.320 -0.010 0.000 0.216 278 A C 2.040 179.407 177.584 -0.361 0.000 1.181 278 A CA 1.411 52.870 52.037 -0.963 0.000 0.620 278 A CB -0.353 18.136 19.000 -0.851 0.000 0.819 278 A HN 0.116 8.266 8.150 -0.000 0.000 0.442 279 M N -0.204 119.280 119.600 -0.194 0.000 2.159 279 M HA -0.126 4.348 4.480 -0.010 0.000 0.263 279 M C 2.040 178.340 176.300 -0.001 0.000 1.063 279 M CA 1.837 57.116 55.300 -0.035 0.000 1.110 279 M CB -1.145 31.450 32.600 -0.008 0.000 1.374 279 M HN 0.579 8.869 8.290 -0.000 0.000 0.411 280 K N 0.359 120.732 120.400 -0.045 0.000 2.057 280 K HA -0.111 4.203 4.320 -0.010 0.000 0.207 280 K C 1.873 178.460 176.600 -0.022 0.000 1.049 280 K CA 1.242 57.520 56.287 -0.014 0.000 0.931 280 K CB 0.100 32.597 32.500 -0.005 0.000 0.714 280 K HN 0.119 8.369 8.250 -0.000 0.000 0.440 281 V N 0.703 120.571 119.914 -0.077 0.000 2.295 281 V HA -0.246 3.868 4.120 -0.010 0.000 0.246 281 V C 2.337 178.410 176.094 -0.035 0.000 1.049 281 V CA 2.298 64.510 62.300 -0.147 0.000 1.024 281 V CB -0.717 30.949 31.823 -0.262 0.000 0.648 281 V HN 0.495 8.685 8.190 -0.000 0.000 0.447 282 H N 0.634 119.660 119.070 -0.073 0.000 2.389 282 H HA -0.055 4.495 4.556 -0.010 0.000 0.299 282 H C 2.133 177.535 175.328 0.123 0.000 1.081 282 H CA 1.648 57.711 56.048 0.025 0.000 1.345 282 H CB -0.291 29.483 29.762 0.021 0.000 1.393 282 H HN 0.346 8.626 8.280 -0.000 0.000 0.520 283 A N 0.739 123.570 122.820 0.018 0.000 1.908 283 A HA -0.095 4.219 4.320 -0.010 0.000 0.218 283 A C 2.622 180.197 177.584 -0.016 0.000 1.181 283 A CA 1.802 53.829 52.037 -0.016 0.000 0.627 283 A CB -1.316 17.701 19.000 0.028 0.000 0.818 283 A HN 0.596 8.746 8.150 -0.000 0.000 0.445 284 A N -1.299 121.528 122.820 0.011 0.000 1.933 284 A HA -0.026 4.288 4.320 -0.010 0.000 0.218 284 A C 2.033 179.640 177.584 0.039 0.000 1.175 284 A CA 1.598 53.650 52.037 0.025 0.000 0.628 284 A CB -0.667 18.354 19.000 0.036 0.000 0.814 284 A HN 0.682 8.832 8.150 -0.000 0.000 0.444 285 F N 0.629 120.524 119.950 -0.092 0.000 2.113 285 F HA -0.108 4.413 4.527 -0.010 0.000 0.297 285 F C 2.141 177.911 175.800 -0.049 0.000 1.103 285 F CA 2.073 60.019 58.000 -0.091 0.000 1.248 285 F CB -0.320 38.590 39.000 -0.150 0.000 0.999 285 F HN 0.375 8.675 8.300 -0.000 0.000 0.475 286 E N -0.291 119.853 120.200 -0.094 0.000 2.265 286 E HA -0.260 4.084 4.350 -0.010 0.000 0.196 286 E C 2.007 178.565 176.600 -0.070 0.000 0.996 286 E CA 1.006 57.406 56.400 0.000 0.000 0.832 286 E CB -0.091 29.656 29.700 0.078 0.000 0.756 286 E HN 0.445 8.805 8.360 -0.000 0.000 0.491 287 E N 1.077 121.230 120.200 -0.079 0.000 2.047 287 E HA -0.197 4.147 4.350 -0.010 0.000 0.191 287 E C 1.938 178.487 176.600 -0.084 0.000 0.987 287 E CA 1.784 58.149 56.400 -0.058 0.000 0.799 287 E CB -0.073 29.608 29.700 -0.031 0.000 0.752 287 E HN 0.339 8.699 8.360 -0.000 0.000 0.449 288 R N -0.692 119.729 120.500 -0.131 0.000 2.276 288 R HA 0.168 4.502 4.340 -0.010 0.000 0.196 288 R C -0.261 175.926 176.300 -0.188 0.000 0.961 288 R CA 0.523 56.544 56.100 -0.131 0.000 1.024 288 R CB 0.383 30.622 30.300 -0.101 0.000 0.940 288 R HN -0.018 8.252 8.270 -0.000 0.000 0.480 289 V N 2.638 122.374 119.914 -0.296 0.000 2.443 289 V HA 0.320 4.434 4.120 -0.010 0.000 0.272 289 V C -2.539 173.563 176.094 0.014 0.000 1.002 289 V CA -2.232 59.935 62.300 -0.221 0.000 0.840 289 V CB 1.525 33.015 31.823 -0.556 0.000 1.042 289 V HN 0.026 8.216 8.190 -0.000 0.000 0.446 290 P HA 0.056 4.476 4.420 -0.000 0.000 0.265 290 P C -0.000 177.105 177.300 -0.325 0.000 1.187 290 P CA -0.026 63.007 63.100 -0.113 0.000 0.766 290 P CB 0.506 32.138 31.700 -0.113 0.000 0.820 291 R N 4.654 124.793 120.500 -0.602 0.000 2.449 291 R HA 0.175 4.510 4.340 -0.010 0.000 0.296 291 R C -2.119 173.732 176.300 -0.749 0.000 1.047 291 R CA -1.284 54.062 56.100 -1.257 0.000 1.018 291 R CB -0.386 29.235 30.300 -1.132 0.000 0.962 291 R HN 0.361 8.631 8.270 -0.000 0.000 0.428 292 P HA 0.038 4.458 4.420 -0.000 0.000 0.272 292 P C -1.239 175.887 177.300 -0.289 0.000 1.223 292 P CA -0.349 62.546 63.100 -0.342 0.000 0.784 292 P CB 0.925 32.496 31.700 -0.214 0.000 0.923 293 V N 1.849 121.655 119.914 -0.180 0.000 2.448 293 V HA 0.598 4.713 4.120 -0.010 0.000 0.295 293 V C 0.396 176.437 176.094 -0.089 0.000 1.025 293 V CA -0.813 61.407 62.300 -0.134 0.000 0.859 293 V CB 1.233 32.992 31.823 -0.106 0.000 0.988 293 V HN 0.708 8.898 8.190 -0.000 0.000 0.431 294 A N 3.987 126.761 122.820 -0.076 0.000 2.272 294 A HA 0.896 5.210 4.320 -0.010 0.000 0.275 294 A C 0.463 178.007 177.584 -0.065 0.000 1.096 294 A CA 0.226 52.229 52.037 -0.056 0.000 0.822 294 A CB 0.845 19.817 19.000 -0.048 0.000 1.088 294 A HN 1.050 9.200 8.150 -0.000 0.000 0.495 295 T N -3.509 111.005 114.554 -0.066 0.000 2.804 295 T HA 0.442 4.786 4.350 -0.010 0.000 0.290 295 T C 0.723 175.354 174.700 -0.115 0.000 1.099 295 T CA 0.064 62.114 62.100 -0.084 0.000 1.011 295 T CB 0.603 69.433 68.868 -0.063 0.000 1.291 295 T HN 0.456 8.696 8.240 -0.000 0.000 0.523 296 V N 1.106 120.939 119.914 -0.135 0.000 2.407 296 V HA -0.141 3.973 4.120 -0.010 0.000 0.248 296 V C 2.986 179.011 176.094 -0.115 0.000 1.055 296 V CA 2.466 64.663 62.300 -0.172 0.000 1.049 296 V CB -0.906 30.824 31.823 -0.155 0.000 0.662 296 V HN 1.056 9.246 8.190 -0.000 0.000 0.455 297 S N -0.366 115.290 115.700 -0.072 0.000 2.383 297 S HA -0.235 4.230 4.470 -0.010 0.000 0.229 297 S C 2.083 176.678 174.600 -0.008 0.000 1.030 297 S CA 2.322 60.499 58.200 -0.038 0.000 1.002 297 S CB -0.388 62.797 63.200 -0.026 0.000 0.829 297 S HN 0.728 9.038 8.310 -0.000 0.000 0.467 298 T N 1.611 116.162 114.554 -0.005 0.000 2.684 298 T HA -0.084 4.260 4.350 -0.010 0.000 0.267 298 T C 1.841 176.621 174.700 0.134 0.000 1.036 298 T CA 1.667 63.801 62.100 0.056 0.000 1.148 298 T CB -0.611 68.279 68.868 0.038 0.000 0.863 298 T HN 0.299 8.539 8.240 -0.000 0.000 0.436 299 V N 1.716 121.653 119.914 0.038 0.000 2.427 299 V HA -0.126 3.988 4.120 -0.010 0.000 0.248 299 V C 2.909 179.058 176.094 0.091 0.000 1.051 299 V CA 1.531 63.866 62.300 0.058 0.000 1.048 299 V CB -1.239 30.521 31.823 -0.104 0.000 0.666 299 V HN 0.541 8.731 8.190 -0.000 0.000 0.456 300 A N -0.093 122.733 122.820 0.009 0.000 1.972 300 A HA -0.243 4.071 4.320 -0.010 0.000 0.219 300 A C 1.963 179.595 177.584 0.079 0.000 1.169 300 A CA 1.923 53.953 52.037 -0.012 0.000 0.635 300 A CB -0.574 18.387 19.000 -0.065 0.000 0.810 300 A HN 0.530 8.680 8.150 -0.000 0.000 0.446 301 D N -0.805 119.648 120.400 0.088 0.000 2.123 301 D HA -0.141 4.493 4.640 -0.010 0.000 0.196 301 D C 1.668 178.010 176.300 0.069 0.000 0.992 301 D CA 1.625 55.663 54.000 0.063 0.000 0.833 301 D CB -0.467 40.334 40.800 0.002 0.000 0.954 301 D HN 0.678 9.048 8.370 -0.000 0.000 0.455 302 H N 0.003 119.126 119.070 0.088 0.000 2.326 302 H HA 0.061 4.611 4.556 -0.010 0.000 0.301 302 H C 2.238 177.662 175.328 0.161 0.000 1.081 302 H CA 0.747 56.864 56.048 0.115 0.000 1.334 302 H CB -0.215 29.601 29.762 0.090 0.000 1.385 302 H HN 0.050 8.330 8.280 -0.000 0.000 0.504 303 L N 0.129 121.517 121.223 0.275 0.000 2.083 303 L HA -0.194 4.140 4.340 -0.010 0.000 0.209 303 L C 1.849 178.986 176.870 0.445 0.000 1.083 303 L CA 1.051 56.069 54.840 0.296 0.000 0.752 303 L CB -0.210 41.923 42.059 0.123 0.000 0.899 303 L HN 0.330 8.560 8.230 -0.000 0.000 0.433 304 D N -1.049 119.592 120.400 0.401 0.000 2.097 304 D HA -0.237 4.397 4.640 -0.010 0.000 0.195 304 D C 2.009 178.446 176.300 0.229 0.000 0.989 304 D CA 1.442 55.675 54.000 0.388 0.000 0.827 304 D CB -0.087 40.885 40.800 0.287 0.000 0.966 304 D HN 0.369 8.739 8.370 -0.000 0.000 0.456 305 H N -0.141 118.992 119.070 0.104 0.000 2.357 305 H HA 0.070 4.621 4.556 -0.010 0.000 0.301 305 H C 2.124 177.481 175.328 0.050 0.000 1.082 305 H CA 1.318 57.391 56.048 0.041 0.000 1.342 305 H CB -0.098 29.656 29.762 -0.013 0.000 1.389 305 H HN 0.015 8.295 8.280 -0.000 0.000 0.511 306 M N -0.420 119.222 119.600 0.069 0.000 2.159 306 M HA -0.153 4.322 4.480 -0.010 0.000 0.263 306 M C 2.515 178.810 176.300 -0.008 0.000 1.063 306 M CA 1.706 57.014 55.300 0.012 0.000 1.110 306 M CB -0.118 32.550 32.600 0.114 0.000 1.374 306 M HN 0.224 8.514 8.290 -0.000 0.000 0.411 307 R N 0.545 121.079 120.500 0.058 0.000 2.075 307 R HA -0.183 4.151 4.340 -0.010 0.000 0.232 307 R C 2.055 178.295 176.300 -0.101 0.000 1.126 307 R CA 1.753 57.840 56.100 -0.022 0.000 0.963 307 R CB -0.166 30.053 30.300 -0.135 0.000 0.858 307 R HN 0.443 8.713 8.270 -0.000 0.000 0.435 308 E N -0.307 119.817 120.200 -0.127 0.000 2.077 308 E HA -0.149 4.195 4.350 -0.010 0.000 0.193 308 E C 1.679 178.177 176.600 -0.170 0.000 0.989 308 E CA 1.583 57.893 56.400 -0.149 0.000 0.800 308 E CB 0.215 29.828 29.700 -0.145 0.000 0.746 308 E HN 0.247 8.607 8.360 -0.000 0.000 0.452 309 V N 0.522 120.285 119.914 -0.253 0.000 2.426 309 V HA -0.020 4.094 4.120 -0.010 0.000 0.242 309 V C 2.265 178.287 176.094 -0.119 0.000 1.036 309 V CA 1.525 63.700 62.300 -0.209 0.000 1.044 309 V CB -0.153 31.489 31.823 -0.301 0.000 0.688 309 V HN 0.389 8.579 8.190 -0.000 0.000 0.462 310 A N -0.777 121.990 122.820 -0.089 0.000 1.984 310 A HA 0.510 4.824 4.320 -0.010 0.000 0.214 310 A C 1.338 178.962 177.584 0.067 0.000 1.173 310 A CA 1.114 53.133 52.037 -0.030 0.000 0.673 310 A CB -0.288 18.714 19.000 0.002 0.000 0.830 310 A HN 1.294 9.444 8.150 -0.000 0.000 0.453 311 G N -2.076 106.753 108.800 0.049 0.000 2.784 311 G HA2 0.050 4.004 3.960 -0.010 0.000 0.686 311 G HA3 0.050 4.004 3.960 -0.010 0.000 0.686 311 G C 0.441 175.368 174.900 0.046 0.000 1.156 311 G CA -0.098 45.045 45.100 0.072 0.000 0.757 311 G HN 1.016 9.306 8.290 -0.000 0.000 0.642 312 V N 0.634 120.517 119.914 -0.052 0.000 2.688 312 V HA -0.065 4.049 4.120 -0.010 0.000 0.256 312 V C 2.001 178.048 176.094 -0.079 0.000 1.084 312 V CA 2.803 65.060 62.300 -0.072 0.000 1.103 312 V CB -0.234 31.499 31.823 -0.150 0.000 0.688 312 V HN 0.723 8.913 8.190 -0.000 0.000 0.480 313 D N -1.138 119.144 120.400 -0.197 0.000 2.349 313 D HA 0.015 4.649 4.640 -0.010 0.000 0.224 313 D C 0.696 176.599 176.300 -0.662 0.000 1.029 313 D CA 0.563 54.318 54.000 -0.409 0.000 0.879 313 D CB -0.120 40.377 40.800 -0.505 0.000 0.906 313 D HN 0.628 8.998 8.370 -0.000 0.000 0.528 314 H N -0.068 119.015 119.070 0.022 0.000 2.562 314 H HA 0.325 4.875 4.556 -0.009 0.000 0.249 314 H C 0.098 175.456 175.328 0.049 0.000 1.195 314 H CA -0.063 56.003 56.048 0.030 0.000 0.938 314 H CB 0.878 30.651 29.762 0.018 0.000 1.891 314 H HN -0.003 8.277 8.280 -0.000 0.000 0.595 315 L N -0.252 121.031 121.223 0.101 0.000 2.354 315 L HA 0.761 5.095 4.340 -0.010 0.000 0.264 315 L C 0.533 177.467 176.870 0.108 0.000 1.008 315 L CA -0.941 53.975 54.840 0.127 0.000 0.819 315 L CB 2.629 44.801 42.059 0.188 0.000 1.339 315 L HN 0.210 8.440 8.230 -0.000 0.000 0.420 316 G N 1.186 110.049 108.800 0.105 0.000 2.782 316 G HA2 0.771 4.725 3.960 -0.010 0.000 0.304 316 G HA3 0.771 4.725 3.960 -0.010 0.000 0.304 316 G C -1.690 173.266 174.900 0.094 0.000 1.315 316 G CA -0.526 44.627 45.100 0.088 0.000 0.791 316 G HN 0.384 8.674 8.290 -0.000 0.000 0.519 317 I N 0.141 120.759 120.570 0.079 0.000 2.533 317 I HA 0.604 4.768 4.170 -0.010 0.000 0.290 317 I C -0.072 176.053 176.117 0.014 0.000 1.056 317 I CA -0.820 60.527 61.300 0.078 0.000 1.057 317 I CB 2.677 40.780 38.000 0.171 0.000 1.240 317 I HN 0.712 8.922 8.210 -0.000 0.000 0.423 318 G N 3.073 111.823 108.800 -0.084 0.000 3.113 318 G HA2 0.411 4.365 3.960 -0.010 0.000 0.301 318 G HA3 0.411 4.365 3.960 -0.010 0.000 0.301 318 G C 0.596 175.309 174.900 -0.312 0.000 1.606 318 G CA -0.241 44.814 45.100 -0.075 0.000 1.060 318 G HN 0.847 9.137 8.290 -0.000 0.000 0.540 319 G N 1.242 109.764 108.800 -0.464 0.000 2.448 319 G HA2 0.012 3.966 3.960 -0.010 0.000 0.219 319 G HA3 0.012 3.966 3.960 -0.010 0.000 0.219 319 G C 0.859 175.367 174.900 -0.655 0.000 1.127 319 G CA 1.051 45.554 45.100 -0.996 0.000 0.766 319 G HN 0.912 9.202 8.290 -0.000 0.000 0.552 320 D N -2.719 117.535 120.400 -0.244 0.000 2.981 320 D HA -0.178 4.456 4.640 -0.010 0.000 0.223 320 D C -0.356 175.936 176.300 -0.015 0.000 1.151 320 D CA 0.181 54.152 54.000 -0.048 0.000 0.827 320 D CB -1.934 38.875 40.800 0.015 0.000 1.101 320 D HN 0.330 8.700 8.370 -0.000 0.000 0.426 321 Y N 0.843 121.206 120.300 0.104 0.000 2.597 321 Y HA 0.187 4.731 4.550 -0.010 0.000 0.336 321 Y C 1.728 177.815 175.900 0.313 0.000 1.216 321 Y CA 0.596 58.827 58.100 0.218 0.000 1.463 321 Y CB 0.426 38.986 38.460 0.166 0.000 1.303 321 Y HN 0.052 8.332 8.280 -0.000 0.000 0.576 322 D N 1.044 121.855 120.400 0.685 0.000 3.077 322 D HA -0.178 4.456 4.640 -0.010 0.000 0.217 322 D C 1.138 177.589 176.300 0.252 0.000 1.162 322 D CA 1.426 55.609 54.000 0.307 0.000 0.943 322 D CB -1.116 39.843 40.800 0.265 0.000 1.122 322 D HN 0.901 9.271 8.370 -0.000 0.000 0.413 323 G N -1.119 107.831 108.800 0.250 0.000 2.944 323 G HA2 0.242 4.197 3.960 -0.010 0.000 0.223 323 G HA3 0.242 4.197 3.960 -0.010 0.000 0.223 323 G C 0.419 175.410 174.900 0.152 0.000 1.071 323 G CA 0.834 46.047 45.100 0.188 0.000 0.806 323 G HN 0.351 8.641 8.290 -0.000 0.000 0.538 324 T N 0.240 114.891 114.554 0.163 0.000 2.912 324 T HA 0.553 4.897 4.350 -0.010 0.000 0.299 324 T C -1.951 172.813 174.700 0.106 0.000 1.052 324 T CA -1.482 60.684 62.100 0.110 0.000 0.996 324 T CB 2.671 71.574 68.868 0.059 0.000 1.070 324 T HN -0.115 8.125 8.240 -0.000 0.000 0.465 325 P HA 0.194 4.614 4.420 -0.000 0.000 0.227 325 P C -0.163 176.847 177.300 -0.483 0.000 1.161 325 P CA 0.281 63.177 63.100 -0.341 0.000 0.788 325 P CB 0.153 31.499 31.700 -0.590 0.000 0.822 326 F N 0.858 120.873 119.950 0.108 0.000 2.492 326 F HA 0.496 5.017 4.527 -0.010 0.000 0.327 326 F C 1.048 176.867 175.800 0.031 0.000 1.079 326 F CA -0.308 57.728 58.000 0.061 0.000 0.967 326 F CB 1.512 40.511 39.000 -0.002 0.000 1.169 326 F HN -0.246 8.054 8.300 -0.000 0.000 0.472 327 T N -0.373 114.295 114.554 0.190 0.000 2.896 327 T HA 0.668 5.012 4.350 -0.010 0.000 0.297 327 T C -3.098 171.618 174.700 0.028 0.000 1.108 327 T CA -2.472 59.667 62.100 0.065 0.000 1.004 327 T CB 2.056 70.939 68.868 0.024 0.000 1.159 327 T HN 0.124 8.364 8.240 -0.000 0.000 0.499 328 P HA 0.353 4.773 4.420 -0.000 0.000 0.274 328 P C -0.665 176.590 177.300 -0.075 0.000 1.231 328 P CA -0.449 62.607 63.100 -0.073 0.000 0.790 328 P CB 0.323 31.938 31.700 -0.142 0.000 0.951 329 D N 0.810 121.169 120.400 -0.070 0.000 2.424 329 D HA 0.261 4.895 4.640 -0.010 0.000 0.244 329 D C 1.567 177.812 176.300 -0.091 0.000 1.134 329 D CA 1.446 55.408 54.000 -0.063 0.000 0.881 329 D CB 0.374 41.141 40.800 -0.055 0.000 1.191 329 D HN 0.679 9.049 8.370 -0.000 0.000 0.445 330 G N 1.814 110.563 108.800 -0.085 0.000 2.241 330 G HA2 -0.258 3.696 3.960 -0.010 0.000 0.244 330 G HA3 -0.258 3.696 3.960 -0.010 0.000 0.244 330 G C 0.573 175.388 174.900 -0.142 0.000 0.998 330 G CA -0.007 45.030 45.100 -0.105 0.000 0.621 330 G HN 0.484 8.774 8.290 -0.000 0.000 0.519 331 L N 1.229 122.362 121.223 -0.151 0.000 3.291 331 L HA 0.433 4.767 4.340 -0.010 0.000 0.307 331 L C 2.062 178.929 176.870 -0.005 0.000 1.303 331 L CA 0.222 54.970 54.840 -0.153 0.000 0.949 331 L CB 0.543 42.368 42.059 -0.389 0.000 1.375 331 L HN 0.196 8.425 8.230 -0.000 0.000 0.596 332 G N 0.484 109.261 108.800 -0.038 0.000 2.448 332 G HA2 -0.122 3.832 3.960 -0.010 0.000 0.219 332 G HA3 -0.122 3.832 3.960 -0.010 0.000 0.219 332 G C 0.252 175.115 174.900 -0.063 0.000 1.127 332 G CA 1.192 46.284 45.100 -0.014 0.000 0.766 332 G HN 0.579 8.869 8.290 -0.000 0.000 0.552 333 D N -3.023 117.261 120.400 -0.195 0.000 2.768 333 D HA 0.165 4.799 4.640 -0.010 0.000 0.327 333 D C 1.021 176.781 176.300 -0.900 0.000 1.302 333 D CA 0.101 53.811 54.000 -0.484 0.000 0.897 333 D CB 0.698 41.403 40.800 -0.158 0.000 1.420 333 D HN 0.274 8.644 8.370 -0.000 0.000 0.494 334 V N -1.263 118.123 119.914 -0.880 0.000 3.186 334 V HA -0.063 4.051 4.120 -0.010 0.000 0.270 334 V C 1.398 177.400 176.094 -0.153 0.000 1.149 334 V CA 2.016 63.968 62.300 -0.580 0.000 1.160 334 V CB -1.350 30.377 31.823 -0.160 0.000 0.758 334 V HN 0.647 8.837 8.190 -0.000 0.000 0.516 335 S N 0.060 115.667 115.700 -0.156 0.000 2.593 335 S HA 0.235 4.699 4.470 -0.010 0.000 0.217 335 S C 1.751 176.328 174.600 -0.037 0.000 0.966 335 S CA 0.543 58.726 58.200 -0.028 0.000 0.914 335 S CB 0.058 63.240 63.200 -0.031 0.000 0.776 335 S HN 0.708 9.018 8.310 -0.000 0.000 0.523 336 G N 0.027 108.730 108.800 -0.161 0.000 2.712 336 G HA2 0.065 4.019 3.960 -0.010 0.000 0.212 336 G HA3 0.065 4.019 3.960 -0.010 0.000 0.212 336 G C 0.842 175.677 174.900 -0.108 0.000 1.142 336 G CA 0.032 45.043 45.100 -0.148 0.000 0.789 336 G HN 0.544 8.834 8.290 -0.000 0.000 0.535 337 Y N 1.638 121.985 120.300 0.078 0.000 2.139 337 Y HA -0.129 4.416 4.550 -0.008 0.000 0.282 337 Y C 0.474 176.394 175.900 0.034 0.000 1.179 337 Y CA 1.793 59.952 58.100 0.098 0.000 1.161 337 Y CB -1.478 37.067 38.460 0.142 0.000 0.970 337 Y HN 0.257 8.537 8.280 -0.000 0.000 0.511 338 P HA -0.144 4.276 4.420 -0.000 0.000 0.218 338 P C 1.052 178.370 177.300 0.030 0.000 1.148 338 P CA 1.736 64.888 63.100 0.087 0.000 0.822 338 P CB 0.028 31.767 31.700 0.065 0.000 0.784 339 N N -0.802 117.895 118.700 -0.005 0.000 2.188 339 N HA -0.121 4.613 4.740 -0.010 0.000 0.184 339 N C 1.604 177.073 175.510 -0.068 0.000 1.018 339 N CA 0.845 53.867 53.050 -0.046 0.000 0.858 339 N CB -0.925 37.516 38.487 -0.077 0.000 0.989 339 N HN 0.132 8.512 8.380 -0.000 0.000 0.426 340 L N 1.189 122.367 121.223 -0.075 0.000 2.072 340 L HA 0.008 4.342 4.340 -0.010 0.000 0.205 340 L C 1.856 178.669 176.870 -0.095 0.000 1.079 340 L CA 1.215 55.991 54.840 -0.107 0.000 0.752 340 L CB -0.487 41.516 42.059 -0.094 0.000 0.906 340 L HN -0.020 8.210 8.230 -0.000 0.000 0.436 341 I N 0.314 120.867 120.570 -0.030 0.000 2.286 341 I HA -0.233 3.931 4.170 -0.010 0.000 0.248 341 I C 2.688 178.779 176.117 -0.043 0.000 1.115 341 I CA 1.401 62.679 61.300 -0.036 0.000 1.392 341 I CB -2.016 36.005 38.000 0.035 0.000 1.065 341 I HN 0.364 8.574 8.210 -0.000 0.000 0.418 342 A N 0.558 123.363 122.820 -0.026 0.000 1.902 342 A HA -0.243 4.071 4.320 -0.010 0.000 0.217 342 A C 2.306 179.869 177.584 -0.036 0.000 1.181 342 A CA 1.939 53.965 52.037 -0.018 0.000 0.623 342 A CB -0.576 18.416 19.000 -0.013 0.000 0.818 342 A HN 0.401 8.551 8.150 -0.000 0.000 0.443 343 E N 0.361 120.521 120.200 -0.066 0.000 2.077 343 E HA -0.133 4.211 4.350 -0.010 0.000 0.193 343 E C 1.802 178.344 176.600 -0.097 0.000 0.989 343 E CA 1.353 57.709 56.400 -0.073 0.000 0.800 343 E CB -0.449 29.194 29.700 -0.094 0.000 0.746 343 E HN 0.599 8.959 8.360 -0.000 0.000 0.452 344 L N -0.085 121.019 121.223 -0.198 0.000 2.093 344 L HA -0.137 4.197 4.340 -0.010 0.000 0.208 344 L C 2.557 179.401 176.870 -0.043 0.000 1.085 344 L CA 0.819 55.443 54.840 -0.361 0.000 0.755 344 L CB -0.435 41.160 42.059 -0.774 0.000 0.904 344 L HN 0.209 8.439 8.230 -0.000 0.000 0.435 345 L N -0.365 120.862 121.223 0.007 0.000 2.046 345 L HA -0.235 4.099 4.340 -0.010 0.000 0.208 345 L C 2.151 179.073 176.870 0.087 0.000 1.077 345 L CA 1.123 56.015 54.840 0.085 0.000 0.747 345 L CB -0.546 41.547 42.059 0.056 0.000 0.896 345 L HN 0.279 8.509 8.230 -0.000 0.000 0.432 346 D N -0.090 120.340 120.400 0.050 0.000 2.263 346 D HA -0.124 4.510 4.640 -0.010 0.000 0.208 346 D C 1.979 178.326 176.300 0.078 0.000 0.971 346 D CA 0.967 54.997 54.000 0.050 0.000 0.867 346 D CB -0.047 40.767 40.800 0.024 0.000 0.929 346 D HN 0.290 8.660 8.370 -0.000 0.000 0.492 347 R N -0.600 119.971 120.500 0.118 0.000 2.334 347 R HA 0.226 4.560 4.340 -0.010 0.000 0.220 347 R C 1.117 177.566 176.300 0.247 0.000 0.917 347 R CA 0.480 56.689 56.100 0.182 0.000 1.073 347 R CB 0.577 31.012 30.300 0.226 0.000 1.056 347 R HN 0.119 8.389 8.270 -0.000 0.000 0.506 348 G N 0.251 109.183 108.800 0.219 0.000 2.157 348 G HA2 -0.218 3.737 3.960 -0.010 0.000 0.239 348 G HA3 -0.218 3.737 3.960 -0.010 0.000 0.239 348 G C -0.401 174.624 174.900 0.208 0.000 0.982 348 G CA -0.481 44.722 45.100 0.171 0.000 0.650 348 G HN 0.207 8.497 8.290 -0.000 0.000 0.527 349 W N 2.464 123.776 121.300 0.020 0.000 2.223 349 W HA 0.513 5.167 4.660 -0.011 0.000 0.334 349 W C 1.332 177.862 176.519 0.019 0.000 1.334 349 W CA 0.323 57.681 57.345 0.021 0.000 1.246 349 W CB 0.609 30.087 29.460 0.030 0.000 1.184 349 W HN 0.549 8.729 8.180 -0.000 0.000 0.563 350 S N 1.968 117.764 115.700 0.160 0.000 2.645 350 S HA 0.130 4.594 4.470 -0.010 0.000 0.266 350 S C 0.855 175.531 174.600 0.127 0.000 1.258 350 S CA -0.447 57.814 58.200 0.103 0.000 0.990 350 S CB 1.155 64.373 63.200 0.030 0.000 0.967 350 S HN 0.652 8.962 8.310 -0.000 0.000 0.556 351 Q N 0.693 120.546 119.800 0.088 0.000 2.124 351 Q HA -0.075 4.259 4.340 -0.010 0.000 0.202 351 Q C 2.295 178.329 176.000 0.057 0.000 0.977 351 Q CA 1.760 57.614 55.803 0.085 0.000 0.850 351 Q CB -0.313 28.468 28.738 0.072 0.000 0.901 351 Q HN 0.789 9.059 8.270 -0.000 0.000 0.429 352 S N 0.757 116.470 115.700 0.022 0.000 2.406 352 S HA -0.113 4.351 4.470 -0.010 0.000 0.228 352 S C 1.243 175.839 174.600 -0.006 0.000 1.020 352 S CA 0.951 59.132 58.200 -0.031 0.000 0.965 352 S CB -0.120 63.055 63.200 -0.042 0.000 0.798 352 S HN 0.337 8.647 8.310 -0.000 0.000 0.488 353 D N 1.840 122.265 120.400 0.043 0.000 2.104 353 D HA -0.055 4.579 4.640 -0.010 0.000 0.194 353 D C 1.845 178.273 176.300 0.214 0.000 0.994 353 D CA 0.916 54.969 54.000 0.088 0.000 0.830 353 D CB -0.347 40.505 40.800 0.085 0.000 0.959 353 D HN 0.318 8.688 8.370 -0.000 0.000 0.452 354 L N 0.541 121.908 121.223 0.240 0.000 2.141 354 L HA -0.072 4.263 4.340 -0.010 0.000 0.209 354 L C 2.479 179.437 176.870 0.146 0.000 1.094 354 L CA 0.872 55.846 54.840 0.224 0.000 0.763 354 L CB -0.330 41.841 42.059 0.188 0.000 0.908 354 L HN -0.041 8.189 8.230 -0.000 0.000 0.437 355 A N 0.064 122.920 122.820 0.061 0.000 1.969 355 A HA -0.172 4.143 4.320 -0.010 0.000 0.218 355 A C 2.317 179.899 177.584 -0.005 0.000 1.169 355 A CA 1.360 53.376 52.037 -0.035 0.000 0.635 355 A CB -0.213 18.534 19.000 -0.420 0.000 0.810 355 A HN 0.314 8.464 8.150 -0.000 0.000 0.445 356 K N -0.852 119.549 120.400 0.002 0.000 2.031 356 K HA -0.030 4.284 4.320 -0.010 0.000 0.205 356 K C 1.923 178.571 176.600 0.081 0.000 1.049 356 K CA 1.216 57.514 56.287 0.018 0.000 0.939 356 K CB -0.362 32.133 32.500 -0.007 0.000 0.717 356 K HN 0.379 8.629 8.250 -0.000 0.000 0.438 357 L N 1.464 122.771 121.223 0.140 0.000 2.012 357 L HA -0.218 4.116 4.340 -0.010 0.000 0.210 357 L C 2.372 179.326 176.870 0.140 0.000 1.073 357 L CA 2.289 57.228 54.840 0.165 0.000 0.748 357 L CB -0.819 41.375 42.059 0.225 0.000 0.891 357 L HN 0.356 8.586 8.230 -0.000 0.000 0.431 358 T N -4.551 110.103 114.554 0.167 0.000 2.852 358 T HA -0.161 4.184 4.350 -0.010 0.000 0.256 358 T C 1.671 176.528 174.700 0.260 0.000 1.038 358 T CA 1.050 63.265 62.100 0.191 0.000 1.141 358 T CB -0.732 68.264 68.868 0.215 0.000 0.869 358 T HN 0.608 8.848 8.240 -0.000 0.000 0.439 359 W N 1.482 122.839 121.300 0.096 0.000 3.517 359 W HA 0.347 5.004 4.660 -0.004 0.000 0.234 359 W C 1.927 178.502 176.519 0.094 0.000 0.972 359 W CA -0.065 57.355 57.345 0.125 0.000 2.002 359 W CB 0.386 30.007 29.460 0.267 0.000 1.018 359 W HN 0.134 8.314 8.180 -0.000 0.000 0.712 360 K N 0.803 121.332 120.400 0.216 0.000 2.063 360 K HA -0.193 4.122 4.320 -0.010 0.000 0.208 360 K C 1.454 178.031 176.600 -0.038 0.000 1.048 360 K CA 1.785 58.118 56.287 0.077 0.000 0.928 360 K CB -0.286 32.234 32.500 0.034 0.000 0.713 360 K HN 0.045 8.295 8.250 -0.000 0.000 0.442 361 N N 1.079 119.758 118.700 -0.036 0.000 2.084 361 N HA -0.138 4.596 4.740 -0.010 0.000 0.190 361 N C 1.790 177.265 175.510 -0.059 0.000 1.030 361 N CA 1.442 54.462 53.050 -0.049 0.000 0.849 361 N CB -0.451 38.016 38.487 -0.033 0.000 1.012 361 N HN 0.191 8.571 8.380 -0.000 0.000 0.423 362 A N 0.814 123.582 122.820 -0.087 0.000 1.908 362 A HA -0.095 4.219 4.320 -0.010 0.000 0.218 362 A C 2.515 180.024 177.584 -0.125 0.000 1.181 362 A CA 1.460 53.444 52.037 -0.088 0.000 0.627 362 A CB -0.820 18.116 19.000 -0.106 0.000 0.818 362 A HN 0.116 8.266 8.150 -0.000 0.000 0.445 363 V N 0.020 119.781 119.914 -0.255 0.000 2.358 363 V HA -0.235 3.879 4.120 -0.010 0.000 0.246 363 V C 2.642 178.697 176.094 -0.065 0.000 1.047 363 V CA 2.179 64.355 62.300 -0.207 0.000 1.035 363 V CB -0.818 30.847 31.823 -0.264 0.000 0.658 363 V HN 0.661 8.851 8.190 -0.000 0.000 0.452 364 R N -0.009 120.463 120.500 -0.045 0.000 2.073 364 R HA -0.146 4.188 4.340 -0.010 0.000 0.234 364 R C 2.228 178.533 176.300 0.007 0.000 1.134 364 R CA 1.829 57.925 56.100 -0.007 0.000 0.952 364 R CB -0.329 29.964 30.300 -0.012 0.000 0.850 364 R HN 0.398 8.668 8.270 -0.000 0.000 0.433 365 V N 1.387 121.304 119.914 0.005 0.000 2.343 365 V HA -0.235 3.879 4.120 -0.010 0.000 0.247 365 V C 2.285 178.404 176.094 0.041 0.000 1.051 365 V CA 1.479 63.794 62.300 0.025 0.000 1.036 365 V CB -0.467 31.370 31.823 0.023 0.000 0.654 365 V HN 0.335 8.525 8.190 -0.000 0.000 0.451 366 L N 0.480 121.733 121.223 0.050 0.000 2.093 366 L HA -0.160 4.174 4.340 -0.010 0.000 0.208 366 L C 2.250 179.159 176.870 0.066 0.000 1.085 366 L CA 2.221 57.111 54.840 0.084 0.000 0.755 366 L CB -0.920 41.202 42.059 0.104 0.000 0.904 366 L HN 0.456 8.686 8.230 -0.000 0.000 0.435 367 D N -0.587 119.839 120.400 0.044 0.000 2.117 367 D HA -0.224 4.411 4.640 -0.010 0.000 0.197 367 D C 1.911 178.236 176.300 0.043 0.000 0.987 367 D CA 1.309 55.335 54.000 0.044 0.000 0.829 367 D CB 0.347 41.169 40.800 0.036 0.000 0.961 367 D HN 0.460 8.830 8.370 -0.000 0.000 0.460 368 A N 1.117 123.960 122.820 0.039 0.000 1.902 368 A HA -0.020 4.295 4.320 -0.010 0.000 0.217 368 A C 2.469 180.075 177.584 0.035 0.000 1.181 368 A CA 2.176 54.234 52.037 0.034 0.000 0.623 368 A CB -0.799 18.221 19.000 0.034 0.000 0.818 368 A HN 0.364 8.514 8.150 -0.000 0.000 0.443 369 A N -0.133 122.715 122.820 0.046 0.000 1.933 369 A HA -0.183 4.131 4.320 -0.010 0.000 0.218 369 A C 1.897 179.510 177.584 0.048 0.000 1.175 369 A CA 1.721 53.788 52.037 0.049 0.000 0.628 369 A CB -0.522 18.524 19.000 0.078 0.000 0.814 369 A HN 0.647 8.797 8.150 -0.000 0.000 0.444 370 E N -0.628 119.610 120.200 0.063 0.000 2.077 370 E HA -0.201 4.143 4.350 -0.010 0.000 0.193 370 E C 1.715 178.337 176.600 0.036 0.000 0.989 370 E CA 1.176 57.614 56.400 0.062 0.000 0.800 370 E CB -0.171 29.572 29.700 0.071 0.000 0.746 370 E HN 0.674 9.034 8.360 -0.000 0.000 0.452 371 D N 0.003 120.421 120.400 0.031 0.000 2.097 371 D HA -0.130 4.504 4.640 -0.010 0.000 0.195 371 D C 1.888 178.195 176.300 0.010 0.000 0.989 371 D CA 0.801 54.814 54.000 0.021 0.000 0.827 371 D CB 0.132 40.946 40.800 0.022 0.000 0.966 371 D HN -0.062 8.308 8.370 -0.000 0.000 0.456 372 V N -0.063 119.855 119.914 0.008 0.000 2.343 372 V HA -0.206 3.908 4.120 -0.010 0.000 0.247 372 V C 2.507 178.591 176.094 -0.017 0.000 1.051 372 V CA 1.813 64.110 62.300 -0.004 0.000 1.036 372 V CB -0.702 31.118 31.823 -0.006 0.000 0.654 372 V HN 0.260 8.450 8.190 -0.000 0.000 0.451 373 S N -0.354 115.334 115.700 -0.019 0.000 2.368 373 S HA -0.230 4.234 4.470 -0.010 0.000 0.225 373 S C 2.191 176.772 174.600 -0.032 0.000 1.030 373 S CA 1.591 59.765 58.200 -0.043 0.000 0.999 373 S CB -0.260 62.908 63.200 -0.055 0.000 0.844 373 S HN 0.552 8.862 8.310 -0.000 0.000 0.459 374 R N -0.034 120.459 120.500 -0.011 0.000 2.091 374 R HA -0.080 4.254 4.340 -0.010 0.000 0.238 374 R C 2.604 178.897 176.300 -0.011 0.000 1.136 374 R CA 1.399 57.495 56.100 -0.006 0.000 0.959 374 R CB -0.988 29.316 30.300 0.006 0.000 0.856 374 R HN 0.566 8.836 8.270 -0.000 0.000 0.437 375 G N 0.816 109.609 108.800 -0.011 0.000 2.404 375 G HA2 -0.206 3.748 3.960 -0.010 0.000 0.215 375 G HA3 -0.206 3.748 3.960 -0.010 0.000 0.215 375 G C 1.437 176.325 174.900 -0.020 0.000 1.174 375 G CA 0.373 45.465 45.100 -0.012 0.000 0.780 375 G HN 0.133 8.423 8.290 -0.000 0.000 0.537 376 L N -0.366 120.840 121.223 -0.029 0.000 2.109 376 L HA 0.043 4.377 4.340 -0.010 0.000 0.207 376 L C 3.103 179.949 176.870 -0.040 0.000 1.086 376 L CA 0.643 55.461 54.840 -0.037 0.000 0.760 376 L CB -0.275 41.754 42.059 -0.049 0.000 0.910 376 L HN 0.129 8.359 8.230 -0.000 0.000 0.437 377 R N -0.031 120.444 120.500 -0.042 0.000 2.115 377 R HA -0.065 4.269 4.340 -0.010 0.000 0.230 377 R C 2.279 178.562 176.300 -0.027 0.000 1.111 377 R CA 1.157 57.233 56.100 -0.041 0.000 0.976 377 R CB -0.273 30.001 30.300 -0.043 0.000 0.870 377 R HN 0.320 8.590 8.270 -0.000 0.000 0.445 378 A N 0.503 123.310 122.820 -0.021 0.000 2.072 378 A HA 0.132 4.446 4.320 -0.010 0.000 0.216 378 A C 2.098 179.673 177.584 -0.015 0.000 1.156 378 A CA 1.063 53.091 52.037 -0.014 0.000 0.701 378 A CB -0.046 18.948 19.000 -0.009 0.000 0.816 378 A HN 0.331 8.481 8.150 -0.000 0.000 0.458 379 A N -0.114 122.695 122.820 -0.019 0.000 1.984 379 A HA 0.319 4.633 4.320 -0.010 0.000 0.214 379 A C 1.202 178.774 177.584 -0.020 0.000 1.173 379 A CA 0.946 52.973 52.037 -0.018 0.000 0.673 379 A CB -0.007 18.981 19.000 -0.019 0.000 0.830 379 A HN 0.698 8.848 8.150 -0.000 0.000 0.453 380 R N -3.016 117.469 120.500 -0.025 0.000 2.733 380 R HA 0.552 4.887 4.340 -0.010 0.000 0.272 380 R C 0.096 176.378 176.300 -0.029 0.000 1.029 380 R CA -0.354 55.730 56.100 -0.026 0.000 0.888 380 R CB 0.248 30.530 30.300 -0.029 0.000 1.251 380 R HN 0.131 8.401 8.270 -0.000 0.000 0.464 381 G N 0.534 109.318 108.800 -0.027 0.000 2.557 381 G HA2 0.547 4.501 3.960 -0.010 0.000 0.292 381 G HA3 0.547 4.501 3.960 -0.010 0.000 0.292 381 G C -2.227 172.652 174.900 -0.036 0.000 1.237 381 G CA -1.515 43.568 45.100 -0.028 0.000 0.978 381 G HN 0.555 8.845 8.290 -0.000 0.000 0.498 382 P HA 0.163 4.583 4.420 -0.000 0.000 0.272 382 P C -0.155 177.121 177.300 -0.041 0.000 1.230 382 P CA -0.144 62.928 63.100 -0.047 0.000 0.788 382 P CB 1.348 33.024 31.700 -0.041 0.000 0.949 383 S N 0.831 116.500 115.700 -0.052 0.000 2.562 383 S HA 0.155 4.619 4.470 -0.010 0.000 0.275 383 S C 0.727 175.314 174.600 -0.023 0.000 1.281 383 S CA -0.423 57.751 58.200 -0.043 0.000 1.045 383 S CB -0.428 62.730 63.200 -0.070 0.000 0.962 383 S HN 0.511 8.821 8.310 -0.000 0.000 0.503 384 N N 2.473 121.170 118.700 -0.005 0.000 2.235 384 N HA 0.322 5.057 4.740 -0.010 0.000 0.231 384 N C -0.149 175.381 175.510 0.034 0.000 1.177 384 N CA -0.101 52.957 53.050 0.013 0.000 0.874 384 N CB 0.472 38.963 38.487 0.007 0.000 1.097 384 N HN 0.670 9.050 8.380 -0.000 0.000 0.518 385 A N 0.146 122.993 122.820 0.046 0.000 2.445 385 A HA 0.442 4.757 4.320 -0.010 0.000 0.242 385 A C 0.669 178.355 177.584 0.171 0.000 1.075 385 A CA 0.081 52.171 52.037 0.087 0.000 0.777 385 A CB -0.076 18.973 19.000 0.082 0.000 1.013 385 A HN 0.441 8.591 8.150 -0.000 0.000 0.493 386 T N -0.446 114.175 114.554 0.112 0.000 2.952 386 T HA 0.482 4.827 4.350 -0.010 0.000 0.286 386 T C 1.074 175.696 174.700 -0.131 0.000 1.024 386 T CA -0.272 61.833 62.100 0.008 0.000 1.029 386 T CB 0.961 69.801 68.868 -0.046 0.000 1.094 386 T HN 0.562 8.802 8.240 -0.000 0.000 0.515 387 I N 0.281 120.482 120.570 -0.616 0.000 2.394 387 I HA -0.071 4.093 4.170 -0.010 0.000 0.251 387 I C 2.010 177.984 176.117 -0.239 0.000 1.136 387 I CA 1.398 62.234 61.300 -0.774 0.000 1.425 387 I CB -0.042 37.339 38.000 -1.033 0.000 1.079 387 I HN 0.714 8.924 8.210 -0.000 0.000 0.425 388 E N 0.669 120.771 120.200 -0.163 0.000 2.072 388 E HA -0.247 4.097 4.350 -0.010 0.000 0.191 388 E C 2.142 178.725 176.600 -0.029 0.000 0.985 388 E CA 1.295 57.651 56.400 -0.073 0.000 0.801 388 E CB -0.228 29.439 29.700 -0.057 0.000 0.750 388 E HN 0.571 8.931 8.360 -0.000 0.000 0.452 389 Q N -0.181 119.609 119.800 -0.016 0.000 2.050 389 Q HA -0.078 4.257 4.340 -0.010 0.000 0.202 389 Q C 2.175 178.196 176.000 0.036 0.000 0.980 389 Q CA 1.119 56.931 55.803 0.014 0.000 0.840 389 Q CB -0.084 28.670 28.738 0.026 0.000 0.898 389 Q HN 0.297 8.567 8.270 -0.000 0.000 0.424 390 L N -0.141 121.122 121.223 0.068 0.000 2.249 390 L HA 0.026 4.360 4.340 -0.010 0.000 0.207 390 L C 0.410 177.333 176.870 0.088 0.000 1.090 390 L CA 0.187 55.086 54.840 0.098 0.000 0.802 390 L CB -0.001 42.167 42.059 0.181 0.000 0.947 390 L HN 0.119 8.349 8.230 -0.000 0.000 0.453 391 D N 0.000 120.444 120.400 0.073 0.000 6.856 391 D HA 0.000 4.634 4.640 -0.010 0.000 0.175 391 D CA 0.000 54.040 54.000 0.067 0.000 0.868 391 D CB 0.000 40.851 40.800 0.084 0.000 0.688 391 D HN 0.000 8.370 8.370 -0.000 0.000 0.683