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 2zcg_1_A DATA FIRST_RESID 2 DATA SEQUENCE GFKVKLEKRR NAINTCLCIG LDPDEKDIEN FMKNEKENNY NNIKKNLKEK DATA SEQUENCE YINNVSIKKD ILLKAPDNII RXXKSEEFFY FFNHFCFYII NETNKYALTF DATA SEQUENCE KMNFAFYIPY GSVGIDVLKN VFDYLYELNI PTILDMKIND IGNTVKNYRK DATA SEQUENCE FIFEYLKSDS CTVNIYMGTN MLKDICYDEE KNKYYSAFVL VKTTNPDSAI DATA SEQUENCE FQKNLSLDNK QAYVIMAQEA LNMSSYLNLE QNNEFIGFVV GANSYDEMNY DATA SEQUENCE IRTYFPNCYI LSPGIGAQNG DLHKTLTNGY HKSYEKILIN IGRAITKNPY DATA SEQUENCE PQKAAQMYYD QINAILKQNM 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 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.980 3.960 0.034 0.000 0.244 2 G C 0.000 174.984 174.900 0.140 0.000 0.946 2 G CA 0.000 45.136 45.100 0.060 0.000 0.502 3 F N 6.360 126.280 119.950 -0.052 0.000 2.161 3 F HA -0.333 4.203 4.527 0.015 0.000 0.300 3 F C 0.523 176.362 175.800 0.064 0.000 1.089 3 F CA 1.816 59.797 58.000 -0.031 0.000 1.282 3 F CB 0.735 39.611 39.000 -0.206 0.000 1.010 3 F HN 0.062 8.910 8.300 0.199 -0.428 0.485 4 K N -1.820 118.634 120.400 0.090 0.000 2.063 4 K HA -0.380 3.955 4.320 0.025 0.000 0.208 4 K C 2.474 179.071 176.600 -0.004 0.000 1.048 4 K CA 3.721 60.038 56.287 0.050 0.000 0.928 4 K CB -0.238 32.322 32.500 0.100 0.000 0.713 4 K HN -0.485 7.820 8.250 0.114 0.014 0.442 5 V N -0.996 118.924 119.914 0.009 0.000 2.649 5 V HA -0.320 3.793 4.120 -0.011 0.000 0.248 5 V C 1.885 177.971 176.094 -0.014 0.000 1.054 5 V CA 3.341 65.638 62.300 -0.004 0.000 1.073 5 V CB 0.138 31.962 31.823 0.003 0.000 0.699 5 V HN -0.718 7.489 8.190 0.028 0.000 0.463 6 K N 1.216 121.617 120.400 0.001 0.000 2.026 6 K HA -0.316 4.006 4.320 0.004 0.000 0.208 6 K C 2.346 178.921 176.600 -0.042 0.000 1.048 6 K CA 3.815 60.104 56.287 0.005 0.000 0.929 6 K CB -0.152 32.399 32.500 0.085 0.000 0.713 6 K HN -0.756 7.508 8.250 0.024 0.000 0.439 7 L N -1.976 119.173 121.223 -0.123 0.000 2.017 7 L HA -0.372 3.892 4.340 -0.125 0.000 0.208 7 L C 1.891 178.708 176.870 -0.088 0.000 1.073 7 L CA 3.271 58.020 54.840 -0.151 0.000 0.745 7 L CB -0.177 41.720 42.059 -0.270 0.000 0.894 7 L HN -0.163 7.968 8.230 -0.166 0.000 0.432 8 E N -0.564 119.591 120.200 -0.076 0.000 2.051 8 E HA -0.441 3.849 4.350 -0.100 0.000 0.192 8 E C 2.252 178.815 176.600 -0.062 0.000 0.991 8 E CA 3.239 59.595 56.400 -0.075 0.000 0.799 8 E CB -0.209 29.458 29.700 -0.054 0.000 0.748 8 E HN -0.357 7.962 8.360 -0.069 0.000 0.449 9 K N -1.399 118.976 120.400 -0.042 0.000 2.026 9 K HA -0.317 3.985 4.320 -0.030 0.000 0.208 9 K C 2.387 178.972 176.600 -0.024 0.000 1.048 9 K CA 3.064 59.333 56.287 -0.030 0.000 0.929 9 K CB 0.004 32.490 32.500 -0.024 0.000 0.713 9 K HN -0.251 7.976 8.250 -0.039 0.000 0.439 10 R N -1.756 118.731 120.500 -0.021 0.000 2.115 10 R HA -0.263 4.075 4.340 -0.003 0.000 0.226 10 R C 2.116 178.424 176.300 0.014 0.000 1.100 10 R CA 2.992 59.089 56.100 -0.004 0.000 0.980 10 R CB -0.046 30.254 30.300 0.001 0.000 0.875 10 R HN -0.315 7.939 8.270 -0.027 0.000 0.445 11 R N -1.156 119.339 120.500 -0.009 0.000 2.096 11 R HA -0.319 4.060 4.340 0.066 0.000 0.235 11 R C 2.219 178.524 176.300 0.008 0.000 1.127 11 R CA 3.486 59.586 56.100 -0.002 0.000 0.968 11 R CB -0.419 29.808 30.300 -0.122 0.000 0.861 11 R HN 0.096 8.346 8.270 -0.033 0.000 0.440 12 N N -0.669 118.017 118.700 -0.022 0.000 2.166 12 N HA -0.215 4.526 4.740 0.001 0.000 0.186 12 N C 1.489 177.019 175.510 0.034 0.000 1.019 12 N CA 2.609 55.658 53.050 -0.001 0.000 0.856 12 N CB -0.253 38.223 38.487 -0.019 0.000 0.993 12 N HN -0.563 7.794 8.380 -0.039 0.000 0.426 13 A N -1.221 121.617 122.820 0.030 0.000 1.898 13 A HA -0.151 4.186 4.320 0.028 0.000 0.216 13 A C 1.251 178.875 177.584 0.066 0.000 1.181 13 A CA 2.224 54.282 52.037 0.034 0.000 0.620 13 A CB 0.242 19.249 19.000 0.013 0.000 0.819 13 A HN -0.409 7.659 8.150 0.018 0.093 0.442 14 I N -10.234 110.397 120.570 0.101 0.000 4.154 14 I HA 0.208 4.469 4.170 0.152 0.000 0.334 14 I C -0.742 175.543 176.117 0.279 0.000 1.371 14 I CA -0.639 60.761 61.300 0.168 0.000 1.110 14 I CB 1.608 39.688 38.000 0.133 0.000 1.085 14 I HN -0.751 7.517 8.210 0.097 0.000 0.398 15 N N 0.317 119.155 118.700 0.229 0.000 2.671 15 N HA -0.361 4.692 4.740 0.336 -0.111 0.261 15 N C -1.469 174.158 175.510 0.195 0.000 1.053 15 N CA 1.738 54.943 53.050 0.258 0.000 0.732 15 N CB -2.278 36.319 38.487 0.184 0.000 0.887 15 N HN -0.390 8.102 8.380 0.187 0.000 0.546 16 T N -5.202 109.536 114.554 0.307 0.000 2.749 16 T HA 0.252 4.568 4.350 -0.057 0.000 0.310 16 T C -2.054 172.813 174.700 0.279 0.000 1.496 16 T CA -1.373 60.815 62.100 0.145 0.000 1.006 16 T CB 2.130 71.058 68.868 0.101 0.000 1.457 16 T HN -0.533 7.931 8.240 0.373 0.000 0.497 17 C N 1.445 120.840 119.300 0.159 0.000 3.115 17 C HA 0.580 5.160 4.460 0.199 0.000 0.277 17 C C -0.447 174.601 174.990 0.096 0.000 1.460 17 C CA -3.526 55.598 59.018 0.177 0.000 1.789 17 C CB -0.613 27.259 27.740 0.220 0.000 2.674 17 C HN 0.521 8.778 8.230 0.044 0.000 0.582 18 L N 3.241 124.517 121.223 0.088 0.000 2.477 18 L HA 0.190 4.688 4.340 0.037 -0.136 0.272 18 L C -1.849 175.020 176.870 -0.003 0.000 1.157 18 L CA 0.338 55.211 54.840 0.054 0.000 0.889 18 L CB 0.545 42.669 42.059 0.110 0.000 1.158 18 L HN -0.651 7.647 8.230 0.114 0.000 0.473 19 C N 9.174 128.452 119.300 -0.038 0.000 2.264 19 C HA 0.576 5.152 4.460 -0.115 -0.185 0.324 19 C C -0.942 173.960 174.990 -0.146 0.000 1.267 19 C CA -2.885 56.081 59.018 -0.087 0.000 1.618 19 C CB 0.097 27.816 27.740 -0.034 0.000 2.278 19 C HN 0.243 8.351 8.230 -0.027 0.106 0.499 20 I N 9.250 129.644 120.570 -0.293 0.000 2.325 20 I HA 0.573 4.828 4.170 -0.173 -0.188 0.291 20 I C -0.101 175.974 176.117 -0.070 0.000 1.019 20 I CA -0.986 60.157 61.300 -0.261 0.000 1.302 20 I CB 1.489 39.198 38.000 -0.484 0.000 1.401 20 I HN 0.148 8.089 8.210 -0.448 0.000 0.485 21 G N 6.857 115.654 108.800 -0.005 0.000 2.353 21 G HA2 0.321 4.539 3.960 0.097 0.000 0.284 21 G HA3 0.321 4.298 3.960 0.028 0.000 0.284 21 G C -1.916 173.048 174.900 0.107 0.000 1.172 21 G CA -1.039 44.099 45.100 0.062 0.000 0.854 21 G HN 0.432 8.585 8.290 -0.041 0.113 0.485 22 L N 5.435 126.762 121.223 0.173 0.000 2.356 22 L HA 0.426 4.845 4.340 0.133 0.000 0.264 22 L C -2.339 174.630 176.870 0.164 0.000 1.029 22 L CA -0.802 54.143 54.840 0.176 0.000 0.897 22 L CB 1.132 43.315 42.059 0.205 0.000 1.256 22 L HN 0.108 8.458 8.230 0.200 0.000 0.444 23 D N 6.699 127.056 120.400 -0.071 0.000 2.502 23 D HA 0.402 4.862 4.640 -0.298 0.000 0.301 23 D C -2.452 173.461 176.300 -0.646 0.000 1.202 23 D CA -2.731 50.948 54.000 -0.535 0.000 0.878 23 D CB 0.775 40.942 40.800 -1.054 0.000 1.062 23 D HN -0.068 8.251 8.370 -0.084 0.000 0.499 24 P HA 0.012 4.525 4.420 -0.089 -0.146 0.282 24 P C -1.144 176.086 177.300 -0.116 0.000 1.262 24 P CA -0.751 62.283 63.100 -0.110 0.000 0.773 24 P CB 0.753 32.512 31.700 0.099 0.000 0.879 25 D N 3.176 123.528 120.400 -0.080 0.000 2.478 25 D HA 0.057 4.845 4.640 0.246 0.000 0.263 25 D C 0.839 177.109 176.300 -0.049 0.000 1.153 25 D CA -2.503 51.552 54.000 0.091 0.000 1.038 25 D CB 1.159 42.071 40.800 0.185 0.000 1.120 25 D HN -0.048 8.572 8.370 -0.134 -0.330 0.564 26 E N -1.819 118.417 120.200 0.061 0.000 2.118 26 E HA -0.378 3.985 4.350 0.022 0.000 0.195 26 E C 1.913 178.487 176.600 -0.043 0.000 0.992 26 E CA 3.475 59.900 56.400 0.041 0.000 0.804 26 E CB -0.006 29.765 29.700 0.119 0.000 0.741 26 E HN 0.359 8.791 8.360 0.120 0.000 0.458 27 K N -1.915 118.458 120.400 -0.045 0.000 2.116 27 K HA -0.131 4.160 4.320 -0.048 0.000 0.203 27 K C 2.449 178.975 176.600 -0.124 0.000 1.052 27 K CA 1.410 57.661 56.287 -0.059 0.000 0.952 27 K CB -0.717 31.766 32.500 -0.028 0.000 0.729 27 K HN -0.637 7.736 8.250 -0.022 -0.137 0.446 28 D N 0.985 121.260 120.400 -0.208 0.000 2.106 28 D HA -0.272 4.188 4.640 -0.301 0.000 0.191 28 D C 2.383 178.367 176.300 -0.526 0.000 0.997 28 D CA 3.804 57.550 54.000 -0.424 0.000 0.834 28 D CB -0.423 39.986 40.800 -0.651 0.000 0.956 28 D HN -0.081 8.523 8.370 -0.179 -0.342 0.448 29 I N -0.558 119.727 120.570 -0.475 0.000 2.179 29 I HA -0.538 3.423 4.170 -0.349 0.000 0.242 29 I C 2.032 178.101 176.117 -0.080 0.000 1.088 29 I CA 4.420 65.529 61.300 -0.318 0.000 1.357 29 I CB -0.076 37.690 38.000 -0.390 0.000 1.051 29 I HN -0.621 7.331 8.210 -0.430 0.000 0.409 30 E N -0.747 119.406 120.200 -0.078 0.000 2.077 30 E HA -0.418 3.901 4.350 -0.051 0.000 0.193 30 E C 2.347 178.912 176.600 -0.058 0.000 0.989 30 E CA 3.304 59.673 56.400 -0.052 0.000 0.800 30 E CB -0.258 29.419 29.700 -0.039 0.000 0.746 30 E HN -0.350 7.952 8.360 -0.097 0.000 0.452 31 N N -0.078 118.595 118.700 -0.044 0.000 2.188 31 N HA -0.232 4.493 4.740 -0.025 0.000 0.184 31 N C 1.604 177.143 175.510 0.049 0.000 1.018 31 N CA 2.823 55.868 53.050 -0.009 0.000 0.858 31 N CB -0.009 38.480 38.487 0.004 0.000 0.989 31 N HN 0.253 8.484 8.380 -0.066 0.110 0.426 32 F N 1.503 121.407 119.950 -0.076 0.000 2.134 32 F HA -0.329 4.230 4.527 0.054 0.000 0.299 32 F C 1.297 177.107 175.800 0.016 0.000 1.097 32 F CA 3.260 61.274 58.000 0.024 0.000 1.264 32 F CB 0.234 39.307 39.000 0.123 0.000 1.001 32 F HN -0.027 8.362 8.300 0.149 0.000 0.479 33 M N -0.353 119.169 119.600 -0.129 0.000 2.086 33 M HA -0.549 3.510 4.480 -0.703 0.000 0.261 33 M C 1.580 177.619 176.300 -0.435 0.000 1.067 33 M CA 4.224 59.201 55.300 -0.539 0.000 1.116 33 M CB -0.075 32.124 32.600 -0.669 0.000 1.348 33 M HN -0.147 8.149 8.290 0.009 0.000 0.407 34 K N -1.256 118.987 120.400 -0.262 0.000 2.026 34 K HA -0.424 3.769 4.320 -0.213 0.000 0.208 34 K C 2.299 178.786 176.600 -0.189 0.000 1.048 34 K CA 3.803 59.971 56.287 -0.197 0.000 0.929 34 K CB -0.212 32.214 32.500 -0.124 0.000 0.713 34 K HN -0.309 7.820 8.250 -0.202 0.000 0.439 35 N N -3.162 115.439 118.700 -0.164 0.000 2.331 35 N HA -0.171 4.500 4.740 -0.116 0.000 0.180 35 N C 1.456 176.839 175.510 -0.213 0.000 1.019 35 N CA 2.787 55.754 53.050 -0.139 0.000 0.881 35 N CB 0.088 38.545 38.487 -0.049 0.000 0.972 35 N HN -0.442 7.852 8.380 -0.143 0.000 0.435 36 E N -1.533 118.475 120.200 -0.320 0.000 2.106 36 E HA -0.224 3.958 4.350 -0.279 0.000 0.192 36 E C 1.345 177.647 176.600 -0.497 0.000 0.984 36 E CA 1.964 58.173 56.400 -0.318 0.000 0.806 36 E CB 0.035 29.590 29.700 -0.242 0.000 0.750 36 E HN -0.285 7.847 8.360 -0.379 0.000 0.458 37 K N -0.423 119.712 120.400 -0.441 0.000 2.057 37 K HA -0.266 3.510 4.320 -0.906 0.000 0.206 37 K C 2.862 179.210 176.600 -0.419 0.000 1.050 37 K CA 3.106 59.074 56.287 -0.533 0.000 0.935 37 K CB 0.060 32.395 32.500 -0.276 0.000 0.715 37 K HN -0.342 7.706 8.250 -0.337 0.000 0.439 38 E N -3.219 116.815 120.200 -0.276 0.000 2.478 38 E HA -0.168 4.080 4.350 -0.170 0.000 0.198 38 E C 0.136 176.634 176.600 -0.171 0.000 1.046 38 E CA 1.578 57.867 56.400 -0.186 0.000 0.870 38 E CB 0.142 29.768 29.700 -0.124 0.000 0.818 38 E HN -0.504 7.705 8.360 -0.252 0.000 0.527 39 N N -1.467 117.100 118.700 -0.222 0.000 2.628 39 N HA 0.210 4.887 4.740 -0.106 0.000 0.299 39 N C -1.694 173.725 175.510 -0.152 0.000 1.834 39 N CA -0.329 52.635 53.050 -0.144 0.000 0.871 39 N CB 0.774 39.207 38.487 -0.091 0.000 1.377 39 N HN -0.837 7.296 8.380 -0.310 0.060 0.493 40 N N -2.285 116.292 118.700 -0.206 0.000 2.678 40 N HA -0.394 4.281 4.740 -0.108 0.000 0.250 40 N C -0.946 174.580 175.510 0.027 0.000 1.136 40 N CA 1.557 54.546 53.050 -0.101 0.000 0.757 40 N CB -1.797 36.688 38.487 -0.004 0.000 1.135 40 N HN 0.438 8.671 8.380 -0.245 0.000 0.565 41 Y N -9.195 111.087 120.300 -0.029 0.000 3.234 41 Y HA -0.499 4.177 4.550 -0.078 -0.173 0.207 41 Y C -0.245 175.629 175.900 -0.042 0.000 1.316 41 Y CA 0.753 58.826 58.100 -0.045 0.000 1.309 41 Y CB -3.532 34.919 38.460 -0.016 0.000 1.408 41 Y HN 0.012 7.992 8.280 -0.422 0.047 0.544 42 N N -0.657 118.076 118.700 0.055 0.000 2.061 42 N HA -0.442 4.338 4.740 0.066 0.000 0.193 42 N C 1.584 177.139 175.510 0.075 0.000 1.030 42 N CA 3.738 56.822 53.050 0.056 0.000 0.856 42 N CB -0.280 38.228 38.487 0.034 0.000 1.023 42 N HN -0.437 7.943 8.380 0.000 0.000 0.424 43 N N -0.447 118.286 118.700 0.055 0.000 2.290 43 N HA -0.097 4.738 4.740 0.158 0.000 0.179 43 N C 1.840 177.441 175.510 0.152 0.000 1.016 43 N CA 2.455 55.570 53.050 0.108 0.000 0.871 43 N CB 0.197 38.659 38.487 -0.042 0.000 0.987 43 N HN -0.558 8.031 8.380 0.009 -0.203 0.431 44 I N 1.595 122.222 120.570 0.096 0.000 2.226 44 I HA -0.489 3.720 4.170 0.065 0.000 0.245 44 I C 1.833 177.946 176.117 -0.007 0.000 1.100 44 I CA 4.365 65.660 61.300 -0.008 0.000 1.374 44 I CB -0.251 37.615 38.000 -0.223 0.000 1.057 44 I HN -0.251 8.258 8.210 0.061 -0.263 0.413 45 K N -1.148 119.274 120.400 0.037 0.000 2.063 45 K HA -0.442 3.894 4.320 0.027 0.000 0.208 45 K C 2.046 178.690 176.600 0.072 0.000 1.048 45 K CA 3.538 59.854 56.287 0.049 0.000 0.928 45 K CB -0.299 32.242 32.500 0.067 0.000 0.713 45 K HN -0.366 7.922 8.250 0.062 0.000 0.442 46 K N -2.259 118.200 120.400 0.098 0.000 2.057 46 K HA -0.283 4.092 4.320 0.092 0.000 0.207 46 K C 2.843 179.521 176.600 0.131 0.000 1.049 46 K CA 2.853 59.208 56.287 0.113 0.000 0.931 46 K CB -0.135 32.448 32.500 0.137 0.000 0.714 46 K HN -0.605 7.630 8.250 0.105 0.078 0.440 47 N N 0.560 119.361 118.700 0.168 0.000 2.094 47 N HA -0.263 4.582 4.740 0.175 0.000 0.191 47 N C 2.121 177.721 175.510 0.149 0.000 1.023 47 N CA 2.764 55.930 53.050 0.193 0.000 0.857 47 N CB -0.340 38.350 38.487 0.340 0.000 1.013 47 N HN -0.001 8.409 8.380 0.180 0.078 0.426 48 L N -3.660 117.644 121.223 0.135 0.000 2.456 48 L HA -0.228 4.191 4.340 0.133 0.000 0.224 48 L C 0.714 177.627 176.870 0.072 0.000 1.148 48 L CA 1.656 56.562 54.840 0.110 0.000 0.825 48 L CB -0.483 41.627 42.059 0.086 0.000 0.937 48 L HN -0.540 7.750 8.230 0.118 0.011 0.450 49 K N -4.264 116.177 120.400 0.067 0.000 2.404 49 K HA -0.017 4.322 4.320 0.031 0.000 0.194 49 K C 0.093 176.713 176.600 0.034 0.000 1.023 49 K CA -0.028 56.285 56.287 0.043 0.000 1.094 49 K CB 0.148 32.674 32.500 0.044 0.000 0.841 49 K HN -0.864 7.385 8.250 0.079 0.049 0.523 50 E N 1.029 121.266 120.200 0.062 0.000 2.259 50 E HA 0.004 4.387 4.350 0.055 0.000 0.281 50 E C 0.885 177.481 176.600 -0.007 0.000 1.037 50 E CA -0.928 55.517 56.400 0.075 0.000 0.854 50 E CB 0.095 29.918 29.700 0.206 0.000 1.051 50 E HN -0.765 7.598 8.360 0.081 0.046 0.409 51 K N 4.585 124.877 120.400 -0.180 0.000 2.113 51 K HA -0.337 3.860 4.320 -0.205 0.000 0.208 51 K C 1.505 177.919 176.600 -0.310 0.000 1.047 51 K CA 3.487 59.574 56.287 -0.333 0.000 0.928 51 K CB -0.016 32.132 32.500 -0.586 0.000 0.716 51 K HN 0.624 8.751 8.250 -0.204 0.000 0.446 52 Y N -4.754 115.509 120.300 -0.062 0.000 2.578 52 Y HA -0.042 4.446 4.550 -0.104 0.000 0.297 52 Y C 2.063 177.991 175.900 0.046 0.000 1.176 52 Y CA 0.671 58.702 58.100 -0.114 0.000 1.315 52 Y CB -1.002 37.197 38.460 -0.436 0.000 1.031 52 Y HN -0.222 7.917 8.280 -0.186 0.029 0.524 53 I N 0.925 121.604 120.570 0.182 0.000 2.761 53 I HA -0.406 3.741 4.170 -0.038 0.000 0.261 53 I C 0.593 176.736 176.117 0.045 0.000 1.198 53 I CA 1.947 63.271 61.300 0.040 0.000 1.482 53 I CB -0.037 37.935 38.000 -0.047 0.000 1.100 53 I HN -0.526 7.705 8.210 0.131 0.058 0.445 54 N N -0.740 117.983 118.700 0.039 0.000 2.512 54 N HA -0.188 4.578 4.740 0.044 0.000 0.183 54 N C 0.482 176.019 175.510 0.044 0.000 1.073 54 N CA 1.967 55.038 53.050 0.035 0.000 0.911 54 N CB -0.025 38.466 38.487 0.007 0.000 0.964 54 N HN -0.577 7.790 8.380 0.023 0.026 0.447 55 N N -2.082 116.654 118.700 0.060 0.000 2.235 55 N HA 0.106 4.874 4.740 0.047 0.000 0.209 55 N C -0.737 174.816 175.510 0.072 0.000 1.122 55 N CA -0.269 52.818 53.050 0.062 0.000 0.845 55 N CB 0.852 39.382 38.487 0.072 0.000 1.004 55 N HN -0.667 7.706 8.380 0.074 0.052 0.499 56 V N -4.355 115.614 119.914 0.092 0.000 2.904 56 V HA 0.145 4.323 4.120 0.098 0.000 0.305 56 V C -0.854 175.289 176.094 0.082 0.000 1.067 56 V CA -0.752 61.613 62.300 0.109 0.000 1.044 56 V CB 1.164 33.096 31.823 0.182 0.000 1.050 56 V HN -0.968 7.223 8.190 0.093 0.054 0.475 57 S N 1.967 117.705 115.700 0.064 0.000 2.439 57 S HA 0.029 4.517 4.470 0.029 0.000 0.224 57 S C 0.324 174.966 174.600 0.070 0.000 1.029 57 S CA 2.214 60.437 58.200 0.039 0.000 0.946 57 S CB 0.620 63.809 63.200 -0.018 0.000 0.797 57 S HN -0.137 8.522 8.310 0.065 -0.310 0.504 58 I N 0.121 120.758 120.570 0.112 0.000 2.406 58 I HA 0.049 4.267 4.170 0.079 0.000 0.290 58 I C -1.303 174.907 176.117 0.155 0.000 0.999 58 I CA -0.498 60.872 61.300 0.116 0.000 1.124 58 I CB 1.335 39.415 38.000 0.132 0.000 1.289 58 I HN -0.537 8.026 8.210 0.135 -0.272 0.441 59 K N 0.639 121.080 120.400 0.068 0.000 3.035 59 K HA -0.485 4.009 4.320 0.025 -0.159 0.262 59 K C 0.576 177.286 176.600 0.184 0.000 1.024 59 K CA 0.775 57.098 56.287 0.060 0.000 0.748 59 K CB -2.192 30.206 32.500 -0.170 0.000 1.247 59 K HN 0.486 8.758 8.250 0.037 0.000 0.482 60 K N -1.299 119.189 120.400 0.147 0.000 2.127 60 K HA -0.473 3.944 4.320 0.162 0.000 0.208 60 K C 1.182 177.866 176.600 0.139 0.000 1.047 60 K CA 3.860 60.232 56.287 0.142 0.000 0.927 60 K CB -0.402 32.158 32.500 0.100 0.000 0.716 60 K HN 0.462 8.759 8.250 0.120 0.024 0.450 61 D N -2.887 117.578 120.400 0.109 0.000 2.182 61 D HA -0.234 4.457 4.640 0.085 0.000 0.201 61 D C 1.042 177.417 176.300 0.125 0.000 0.986 61 D CA 2.722 56.778 54.000 0.093 0.000 0.847 61 D CB -1.090 39.745 40.800 0.059 0.000 0.942 61 D HN 0.199 8.612 8.370 0.092 0.012 0.467 62 I N -1.404 119.271 120.570 0.175 0.000 2.339 62 I HA -0.171 4.101 4.170 0.169 0.000 0.245 62 I C 2.347 178.712 176.117 0.413 0.000 1.096 62 I CA 0.598 62.047 61.300 0.248 0.000 1.408 62 I CB -0.103 38.073 38.000 0.294 0.000 1.092 62 I HN -0.658 7.537 8.210 0.174 0.120 0.423 63 L N -1.216 120.253 121.223 0.410 0.000 2.127 63 L HA -0.294 4.245 4.340 0.331 0.000 0.211 63 L C 1.385 178.488 176.870 0.388 0.000 1.089 63 L CA 2.720 57.759 54.840 0.331 0.000 0.757 63 L CB 0.167 42.293 42.059 0.112 0.000 0.899 63 L HN -0.351 8.102 8.230 0.372 0.000 0.434 64 L N -6.521 114.865 121.223 0.272 0.000 2.592 64 L HA -0.034 4.431 4.340 0.209 0.000 0.227 64 L C 0.171 177.146 176.870 0.174 0.000 1.127 64 L CA 0.088 55.049 54.840 0.201 0.000 0.884 64 L CB -0.775 41.361 42.059 0.128 0.000 1.065 64 L HN -0.600 7.747 8.230 0.235 0.024 0.457 65 K N -0.262 120.261 120.400 0.204 0.000 2.295 65 K HA -0.142 4.205 4.320 0.046 0.000 0.270 65 K C -0.681 175.946 176.600 0.045 0.000 1.011 65 K CA -0.087 56.246 56.287 0.077 0.000 0.953 65 K CB 0.685 33.172 32.500 -0.023 0.000 0.956 65 K HN -0.802 7.459 8.250 0.270 0.152 0.477 66 A N 3.977 126.774 122.820 -0.038 0.000 2.520 66 A HA 0.084 4.367 4.320 -0.062 0.000 0.245 66 A C 0.062 177.501 177.584 -0.242 0.000 1.072 66 A CA -1.316 50.665 52.037 -0.094 0.000 0.761 66 A CB -0.576 18.379 19.000 -0.076 0.000 1.004 66 A HN 0.280 8.409 8.150 -0.035 0.000 0.499 67 P HA -0.360 3.665 4.420 -0.659 0.000 0.214 67 P C 0.908 177.793 177.300 -0.692 0.000 1.169 67 P CA 2.530 65.204 63.100 -0.711 0.000 0.908 67 P CB -0.585 30.346 31.700 -1.283 0.000 0.791 68 D N -5.675 114.378 120.400 -0.579 0.000 2.263 68 D HA -0.386 4.218 4.640 -0.060 0.000 0.193 68 D C 1.618 177.840 176.300 -0.130 0.000 1.013 68 D CA 3.157 57.048 54.000 -0.182 0.000 0.892 68 D CB -1.386 39.391 40.800 -0.039 0.000 0.909 68 D HN 0.410 8.406 8.370 -0.624 0.000 0.449 69 N N -1.201 117.396 118.700 -0.173 0.000 2.457 69 N HA -0.117 4.573 4.740 -0.084 0.000 0.180 69 N C 1.572 176.983 175.510 -0.164 0.000 1.050 69 N CA 1.252 54.223 53.050 -0.131 0.000 0.906 69 N CB 0.002 38.423 38.487 -0.111 0.000 0.968 69 N HN -0.396 7.741 8.380 -0.206 0.119 0.445 70 I N -0.844 119.558 120.570 -0.280 0.000 2.233 70 I HA -0.306 3.698 4.170 -0.276 0.000 0.243 70 I C 1.478 177.539 176.117 -0.093 0.000 1.093 70 I CA 1.826 62.945 61.300 -0.301 0.000 1.380 70 I CB -0.672 36.920 38.000 -0.680 0.000 1.067 70 I HN 0.199 8.035 8.210 -0.356 0.160 0.413 71 I N -4.835 115.723 120.570 -0.019 0.000 2.315 71 I HA -0.243 3.966 4.170 0.066 0.000 0.248 71 I C 0.992 177.120 176.117 0.018 0.000 1.117 71 I CA 1.909 63.237 61.300 0.046 0.000 1.404 71 I CB 0.280 38.335 38.000 0.091 0.000 1.071 71 I HN -0.739 7.453 8.210 -0.030 0.000 0.419 76 S N 1.253 117.001 115.700 0.079 0.000 2.423 76 S HA -0.188 4.338 4.470 0.093 0.000 0.231 76 S C 0.758 175.440 174.600 0.137 0.000 1.014 76 S CA 1.635 59.890 58.200 0.091 0.000 0.965 76 S CB -0.169 63.066 63.200 0.059 0.000 0.785 76 S HN -0.024 8.322 8.310 0.059 0.000 0.495 77 E N -0.486 119.800 120.200 0.143 0.000 2.463 77 E HA 0.176 4.658 4.350 0.219 0.000 0.193 77 E C 0.106 176.908 176.600 0.337 0.000 1.041 77 E CA -0.250 56.279 56.400 0.214 0.000 0.879 77 E CB -0.896 28.898 29.700 0.157 0.000 0.997 77 E HN 0.045 8.518 8.360 0.112 -0.046 0.478 78 E N 0.838 121.221 120.200 0.305 0.000 2.072 78 E HA -0.275 4.291 4.350 0.361 0.000 0.191 78 E C 1.026 177.953 176.600 0.543 0.000 0.985 78 E CA 3.053 59.692 56.400 0.398 0.000 0.801 78 E CB -0.087 29.814 29.700 0.334 0.000 0.750 78 E HN -0.718 7.625 8.360 0.255 0.170 0.452 79 F N -0.978 119.164 119.950 0.319 0.000 2.134 79 F HA -0.335 4.351 4.527 0.265 0.000 0.299 79 F C 0.956 176.969 175.800 0.355 0.000 1.097 79 F CA 3.118 61.281 58.000 0.270 0.000 1.264 79 F CB -0.097 38.976 39.000 0.121 0.000 1.001 79 F HN -0.058 8.556 8.300 0.523 0.000 0.479 80 F N -0.403 119.669 119.950 0.204 0.000 2.126 80 F HA -0.515 4.020 4.527 0.015 0.000 0.299 80 F C 0.695 176.526 175.800 0.050 0.000 1.096 80 F CA 3.684 61.735 58.000 0.086 0.000 1.255 80 F CB 0.032 39.115 39.000 0.138 0.000 0.997 80 F HN -0.340 8.331 8.300 0.617 0.000 0.479 81 Y N 0.118 120.408 120.300 -0.018 0.000 2.163 81 Y HA -0.533 3.825 4.550 -0.320 0.000 0.288 81 Y C 1.418 177.188 175.900 -0.217 0.000 1.136 81 Y CA 4.376 62.366 58.100 -0.183 0.000 1.147 81 Y CB 0.291 38.697 38.460 -0.090 0.000 0.987 81 Y HN -0.474 8.005 8.280 0.476 0.087 0.509 82 F N -2.659 117.414 119.950 0.205 0.000 2.206 82 F HA -0.437 4.297 4.527 0.345 0.000 0.298 82 F C 1.901 177.783 175.800 0.137 0.000 1.090 82 F CA 4.464 62.608 58.000 0.239 0.000 1.323 82 F CB -0.079 39.069 39.000 0.246 0.000 1.028 82 F HN -0.226 8.329 8.300 0.425 0.000 0.492 83 F N 0.931 120.736 119.950 -0.241 0.000 2.031 83 F HA -0.673 3.661 4.527 -0.322 0.000 0.295 83 F C 1.127 176.685 175.800 -0.402 0.000 1.133 83 F CA 3.291 61.035 58.000 -0.426 0.000 1.188 83 F CB 0.574 39.087 39.000 -0.810 0.000 0.974 83 F HN 0.122 8.397 8.300 -0.042 0.000 0.473 84 N N -1.393 116.933 118.700 -0.623 0.000 2.036 84 N HA -0.499 3.637 4.740 -1.008 0.000 0.195 84 N C 2.136 177.047 175.510 -0.998 0.000 1.037 84 N CA 3.469 55.907 53.050 -1.021 0.000 0.855 84 N CB 0.094 37.747 38.487 -1.390 0.000 1.033 84 N HN -0.361 7.588 8.380 -0.719 0.000 0.423 85 H N -0.772 117.894 119.070 -0.673 0.000 2.456 85 H HA -0.257 4.016 4.556 -0.471 0.000 0.296 85 H C 2.337 177.494 175.328 -0.285 0.000 1.079 85 H CA 3.579 59.379 56.048 -0.413 0.000 1.322 85 H CB 0.041 29.602 29.762 -0.336 0.000 1.388 85 H HN -0.206 7.731 8.280 -0.572 0.000 0.538 86 F N 1.342 121.033 119.950 -0.432 0.000 2.102 86 F HA -0.377 3.177 4.527 -1.621 0.000 0.298 86 F C 1.263 176.856 175.800 -0.345 0.000 1.105 86 F CA 4.060 61.557 58.000 -0.838 0.000 1.239 86 F CB -0.297 38.337 39.000 -0.610 0.000 0.991 86 F HN -0.165 8.049 8.300 0.002 0.087 0.474 87 C N -0.640 118.457 119.300 -0.339 0.000 2.429 87 C HA -0.427 3.811 4.460 -0.370 0.000 0.277 87 C C 2.285 177.105 174.990 -0.282 0.000 1.262 87 C CA 4.448 63.262 59.018 -0.341 0.000 1.733 87 C CB -2.052 25.547 27.740 -0.235 0.000 2.010 87 C HN -0.431 7.661 8.230 -0.231 0.000 0.483 88 F N -0.750 118.946 119.950 -0.423 0.000 2.216 88 F HA -0.327 3.878 4.527 -0.537 0.000 0.300 88 F C 1.842 177.491 175.800 -0.251 0.000 1.085 88 F CA 0.109 57.827 58.000 -0.470 0.000 1.326 88 F CB -2.042 36.578 39.000 -0.633 0.000 1.027 88 F HN -0.265 7.712 8.300 -0.539 0.000 0.497 89 Y N 1.616 121.816 120.300 -0.167 0.000 2.163 89 Y HA -0.288 4.395 4.550 -0.014 -0.141 0.288 89 Y C 1.835 177.625 175.900 -0.183 0.000 1.136 89 Y CA 2.641 60.656 58.100 -0.143 0.000 1.147 89 Y CB 0.096 38.425 38.460 -0.219 0.000 0.987 89 Y HN -0.523 7.630 8.280 -0.025 0.112 0.509 90 I N -0.750 119.451 120.570 -0.614 0.000 2.127 90 I HA -0.527 3.229 4.170 -0.689 0.000 0.241 90 I C 2.185 178.154 176.117 -0.246 0.000 1.075 90 I CA 2.977 63.945 61.300 -0.552 0.000 1.334 90 I CB -1.050 36.663 38.000 -0.479 0.000 1.040 90 I HN -0.589 7.255 8.210 -0.610 0.000 0.405 91 I N 0.272 120.706 120.570 -0.228 0.000 2.163 91 I HA -0.631 3.394 4.170 -0.242 0.000 0.243 91 I C 2.318 178.420 176.117 -0.026 0.000 1.085 91 I CA 4.410 65.585 61.300 -0.208 0.000 1.347 91 I CB -0.266 37.570 38.000 -0.274 0.000 1.044 91 I HN -0.345 7.706 8.210 -0.265 0.000 0.408 92 N N -1.607 117.089 118.700 -0.005 0.000 2.084 92 N HA -0.300 4.472 4.740 0.053 0.000 0.190 92 N C 1.836 177.338 175.510 -0.014 0.000 1.030 92 N CA 2.677 55.748 53.050 0.034 0.000 0.849 92 N CB -0.505 38.036 38.487 0.089 0.000 1.012 92 N HN -0.023 8.348 8.380 -0.015 0.000 0.423 93 E N -2.759 117.387 120.200 -0.089 0.000 2.106 93 E HA -0.111 4.217 4.350 -0.037 0.000 0.192 93 E C 1.522 178.120 176.600 -0.005 0.000 0.984 93 E CA 2.124 58.474 56.400 -0.084 0.000 0.806 93 E CB 0.424 29.981 29.700 -0.238 0.000 0.750 93 E HN -0.208 8.048 8.360 -0.172 0.000 0.458 94 T N -7.183 107.395 114.554 0.041 0.000 3.010 94 T HA 0.252 4.735 4.350 0.223 0.000 0.257 94 T C 0.914 175.681 174.700 0.112 0.000 1.020 94 T CA 0.579 62.769 62.100 0.150 0.000 0.938 94 T CB 0.908 69.875 68.868 0.166 0.000 1.049 94 T HN -0.321 7.942 8.240 0.037 0.000 0.522 95 N N 2.722 121.481 118.700 0.098 0.000 2.309 95 N HA -0.341 4.562 4.740 0.271 0.000 0.182 95 N C 0.959 176.413 175.510 -0.093 0.000 1.018 95 N CA 3.282 56.411 53.050 0.132 0.000 0.876 95 N CB -0.414 38.167 38.487 0.156 0.000 0.972 95 N HN -0.270 8.150 8.380 0.067 0.000 0.434 96 K N -3.319 116.894 120.400 -0.312 0.000 2.442 96 K HA -0.191 3.954 4.320 -0.291 0.000 0.198 96 K C 0.251 176.513 176.600 -0.562 0.000 1.042 96 K CA 1.897 57.903 56.287 -0.468 0.000 0.958 96 K CB -0.891 31.240 32.500 -0.614 0.000 0.766 96 K HN -0.234 7.804 8.250 -0.353 0.000 0.474 97 Y N -3.930 116.250 120.300 -0.200 0.000 2.458 97 Y HA -0.014 4.236 4.550 -0.501 0.000 0.254 97 Y C -1.080 174.806 175.900 -0.024 0.000 1.120 97 Y CA -0.462 57.486 58.100 -0.252 0.000 1.282 97 Y CB 1.226 39.546 38.460 -0.234 0.000 1.109 97 Y HN -0.685 7.359 8.280 -0.302 0.055 0.526 98 A N -0.894 121.929 122.820 0.005 0.000 2.260 98 A HA 0.225 4.630 4.320 -0.071 -0.128 0.314 98 A C -0.807 176.739 177.584 -0.063 0.000 1.257 98 A CA -1.475 50.483 52.037 -0.131 0.000 0.871 98 A CB 1.471 20.117 19.000 -0.590 0.000 1.166 98 A HN -0.754 7.363 8.150 -0.055 0.000 0.522 99 L N 3.643 124.868 121.223 0.003 0.000 2.093 99 L HA -0.100 4.271 4.340 0.050 0.000 0.208 99 L C -0.697 176.187 176.870 0.023 0.000 1.085 99 L CA 2.215 57.078 54.840 0.038 0.000 0.755 99 L CB 0.692 42.797 42.059 0.077 0.000 0.904 99 L HN 0.277 8.522 8.230 0.025 0.000 0.435 100 T N -5.166 109.371 114.554 -0.028 0.000 2.868 100 T HA 0.195 4.755 4.350 0.103 -0.147 0.306 100 T C -2.115 172.494 174.700 -0.152 0.000 1.224 100 T CA -1.235 60.886 62.100 0.036 0.000 1.012 100 T CB 1.385 70.359 68.868 0.177 0.000 1.221 100 T HN -1.001 7.176 8.240 -0.086 0.011 0.499 101 F N 2.629 122.600 119.950 0.035 0.000 2.443 101 F HA 0.607 5.325 4.527 0.003 -0.189 0.335 101 F C -1.647 174.154 175.800 0.002 0.000 1.104 101 F CA -1.353 56.642 58.000 -0.009 0.000 1.013 101 F CB 3.533 42.485 39.000 -0.080 0.000 1.136 101 F HN 0.012 8.472 8.300 0.266 0.000 0.470 102 K N 3.602 124.119 120.400 0.195 0.000 2.450 102 K HA 0.566 5.168 4.320 0.162 -0.185 0.257 102 K C -1.429 175.285 176.600 0.191 0.000 0.953 102 K CA -1.349 55.034 56.287 0.161 0.000 0.844 102 K CB 2.986 35.547 32.500 0.101 0.000 1.103 102 K HN 0.622 8.979 8.250 0.178 0.000 0.429 103 M N 7.193 126.917 119.600 0.207 0.000 2.149 103 M HA 0.335 5.176 4.480 0.307 -0.177 0.342 103 M C -1.383 175.130 176.300 0.354 0.000 1.068 103 M CA -1.685 53.778 55.300 0.271 0.000 0.991 103 M CB 1.602 34.299 32.600 0.162 0.000 1.596 103 M HN 0.156 8.570 8.290 0.206 0.000 0.439 104 N N 4.486 123.459 118.700 0.455 0.000 2.414 104 N HA 0.239 5.417 4.740 0.410 -0.191 0.256 104 N C 0.774 176.678 175.510 0.657 0.000 1.029 104 N CA -1.201 52.153 53.050 0.505 0.000 0.948 104 N CB 1.495 40.293 38.487 0.518 0.000 1.102 104 N HN -0.169 8.763 8.380 0.469 -0.271 0.496 105 F N 9.042 129.211 119.950 0.365 0.000 2.192 105 F HA -0.443 4.325 4.527 0.402 0.000 0.301 105 F C 0.433 176.446 175.800 0.356 0.000 1.079 105 F CA 3.592 61.804 58.000 0.352 0.000 1.303 105 F CB 0.497 39.620 39.000 0.205 0.000 1.024 105 F HN 0.182 8.826 8.300 0.573 0.000 0.494 106 A N -0.475 122.540 122.820 0.325 0.000 1.978 106 A HA -0.331 4.025 4.320 0.060 0.000 0.220 106 A C 2.282 179.772 177.584 -0.157 0.000 1.170 106 A CA 2.824 54.875 52.037 0.023 0.000 0.636 106 A CB -1.184 17.746 19.000 -0.116 0.000 0.810 106 A HN -0.188 8.439 8.150 0.391 -0.242 0.448 107 F N -4.331 115.688 119.950 0.116 0.000 2.502 107 F HA -0.237 4.273 4.527 -0.028 0.000 0.298 107 F C 0.784 176.564 175.800 -0.034 0.000 1.111 107 F CA 3.015 61.018 58.000 0.005 0.000 1.445 107 F CB 0.035 39.023 39.000 -0.020 0.000 1.081 107 F HN -0.675 7.878 8.300 0.448 0.016 0.558 108 Y N -6.613 113.797 120.300 0.183 0.000 2.449 108 Y HA -0.042 4.841 4.550 0.555 0.000 0.254 108 Y C 0.203 176.106 175.900 0.004 0.000 1.140 108 Y CA 0.880 59.103 58.100 0.205 0.000 1.272 108 Y CB 0.604 39.102 38.460 0.062 0.000 1.114 108 Y HN -0.571 7.783 8.280 0.368 0.146 0.525 109 I N 0.510 121.012 120.570 -0.114 0.000 3.462 109 I HA 0.315 4.438 4.170 -0.079 0.000 0.290 109 I C -1.123 174.919 176.117 -0.125 0.000 1.236 109 I CA -1.087 60.125 61.300 -0.146 0.000 1.418 109 I CB -0.467 37.406 38.000 -0.212 0.000 1.102 109 I HN -0.831 7.279 8.210 -0.167 0.000 0.441 110 P HA -0.122 4.126 4.420 -0.286 0.000 0.230 110 P C -0.213 176.800 177.300 -0.478 0.000 1.158 110 P CA 2.119 64.938 63.100 -0.468 0.000 0.769 110 P CB -0.863 30.433 31.700 -0.673 0.000 0.807 111 Y N -2.650 117.698 120.300 0.079 0.000 2.457 111 Y HA 0.102 4.648 4.550 -0.007 0.000 0.263 111 Y C 0.609 176.560 175.900 0.085 0.000 1.164 111 Y CA -0.297 57.843 58.100 0.068 0.000 1.274 111 Y CB 0.265 38.829 38.460 0.173 0.000 1.097 111 Y HN -0.530 7.582 8.280 -0.206 0.044 0.523 112 G N -0.184 108.706 108.800 0.151 0.000 2.475 112 G HA2 -0.283 3.726 3.960 0.081 0.000 0.223 112 G HA3 -0.283 3.752 3.960 0.125 0.000 0.223 112 G C 0.489 175.490 174.900 0.169 0.000 1.201 112 G CA -0.004 45.173 45.100 0.127 0.000 0.962 112 G HN -0.581 7.698 8.290 0.082 0.060 0.586 113 S N 1.367 117.160 115.700 0.155 0.000 2.458 113 S HA 0.032 4.583 4.470 0.134 0.000 0.223 113 S C 1.808 176.529 174.600 0.203 0.000 1.019 113 S CA 1.727 60.014 58.200 0.146 0.000 0.937 113 S CB -0.084 63.172 63.200 0.094 0.000 0.788 113 S HN 0.342 8.735 8.310 0.139 0.000 0.511 114 V N 3.590 123.657 119.914 0.255 0.000 2.380 114 V HA -0.348 3.920 4.120 0.247 0.000 0.251 114 V C 1.471 177.803 176.094 0.397 0.000 1.063 114 V CA 2.882 65.380 62.300 0.330 0.000 1.055 114 V CB -0.417 31.661 31.823 0.425 0.000 0.657 114 V HN 0.084 8.424 8.190 0.249 0.000 0.455 115 G N -2.697 106.377 108.800 0.456 0.000 2.448 115 G HA2 -0.202 3.919 3.960 0.268 0.000 0.218 115 G HA3 -0.202 4.313 3.960 0.621 -0.182 0.218 115 G C 1.190 176.265 174.900 0.292 0.000 1.135 115 G CA 1.859 47.217 45.100 0.430 0.000 0.784 115 G HN -0.065 8.517 8.290 0.496 0.006 0.543 116 I N 2.159 122.883 120.570 0.255 0.000 2.353 116 I HA -0.294 4.023 4.170 0.244 0.000 0.248 116 I C 1.289 177.555 176.117 0.249 0.000 1.119 116 I CA 0.957 62.403 61.300 0.244 0.000 1.417 116 I CB -1.114 37.024 38.000 0.230 0.000 1.078 116 I HN -0.339 7.906 8.210 0.252 0.116 0.421 117 D N 1.075 121.619 120.400 0.239 0.000 2.123 117 D HA -0.256 4.531 4.640 0.245 0.000 0.196 117 D C 2.810 179.242 176.300 0.220 0.000 0.992 117 D CA 3.891 58.044 54.000 0.254 0.000 0.833 117 D CB -0.510 40.448 40.800 0.263 0.000 0.954 117 D HN -0.483 8.028 8.370 0.235 0.000 0.455 118 V N 0.707 120.692 119.914 0.119 0.000 2.287 118 V HA -0.434 3.670 4.120 -0.293 -0.160 0.248 118 V C 2.209 178.238 176.094 -0.108 0.000 1.053 118 V CA 3.934 66.109 62.300 -0.207 0.000 1.027 118 V CB -0.054 31.338 31.823 -0.718 0.000 0.646 118 V HN -0.634 7.648 8.190 0.152 0.000 0.447 119 L N -0.847 120.378 121.223 0.002 0.000 2.017 119 L HA -0.405 3.754 4.340 -0.302 0.000 0.208 119 L C 1.493 178.406 176.870 0.073 0.000 1.073 119 L CA 3.455 58.234 54.840 -0.102 0.000 0.745 119 L CB -0.536 41.444 42.059 -0.131 0.000 0.894 119 L HN -0.207 8.001 8.230 0.083 0.072 0.432 120 K N -1.165 119.302 120.400 0.113 0.000 2.032 120 K HA -0.404 3.923 4.320 0.012 0.000 0.209 120 K C 1.976 178.624 176.600 0.079 0.000 1.048 120 K CA 2.959 59.290 56.287 0.073 0.000 0.927 120 K CB -0.634 31.929 32.500 0.105 0.000 0.712 120 K HN -0.072 8.270 8.250 0.153 0.000 0.441 121 N N -0.693 118.063 118.700 0.092 0.000 2.120 121 N HA -0.251 4.580 4.740 0.151 0.000 0.188 121 N C 2.483 178.133 175.510 0.233 0.000 1.024 121 N CA 2.847 55.985 53.050 0.146 0.000 0.852 121 N CB -0.290 38.267 38.487 0.116 0.000 1.003 121 N HN -0.554 7.877 8.380 0.085 0.000 0.424 122 V N 0.848 120.841 119.914 0.132 0.000 2.287 122 V HA -0.598 3.700 4.120 0.296 0.000 0.248 122 V C 1.600 177.729 176.094 0.058 0.000 1.053 122 V CA 4.915 67.287 62.300 0.121 0.000 1.027 122 V CB -0.007 31.782 31.823 -0.058 0.000 0.646 122 V HN -0.136 8.074 8.190 0.034 0.000 0.447 123 F N -0.889 119.041 119.950 -0.033 0.000 2.171 123 F HA -0.410 4.100 4.527 -0.029 0.000 0.300 123 F C 1.781 177.579 175.800 -0.003 0.000 1.090 123 F CA 4.637 62.610 58.000 -0.046 0.000 1.293 123 F CB -0.404 38.519 39.000 -0.129 0.000 1.013 123 F HN -0.384 8.105 8.300 0.316 0.000 0.486 124 D N -0.581 119.910 120.400 0.151 0.000 2.123 124 D HA -0.357 4.303 4.640 0.033 0.000 0.196 124 D C 2.243 178.623 176.300 0.134 0.000 0.992 124 D CA 3.720 57.775 54.000 0.091 0.000 0.833 124 D CB -0.306 40.532 40.800 0.064 0.000 0.954 124 D HN 0.292 8.750 8.370 0.148 0.000 0.455 125 Y N 1.351 121.632 120.300 -0.031 0.000 2.163 125 Y HA -0.319 4.134 4.550 -0.162 0.000 0.288 125 Y C 1.932 177.725 175.900 -0.178 0.000 1.136 125 Y CA 3.360 61.363 58.100 -0.162 0.000 1.147 125 Y CB 0.187 38.457 38.460 -0.317 0.000 0.987 125 Y HN -0.273 8.159 8.280 0.255 0.000 0.509 126 L N -2.181 118.981 121.223 -0.101 0.000 2.083 126 L HA -0.509 3.655 4.340 -0.293 0.000 0.209 126 L C 1.787 178.584 176.870 -0.121 0.000 1.083 126 L CA 3.171 57.892 54.840 -0.198 0.000 0.752 126 L CB -0.402 41.521 42.059 -0.227 0.000 0.899 126 L HN -0.331 7.888 8.230 -0.020 0.000 0.433 127 Y N -0.512 119.713 120.300 -0.124 0.000 2.165 127 Y HA -0.505 4.016 4.550 -0.048 0.000 0.286 127 Y C 2.609 178.438 175.900 -0.119 0.000 1.155 127 Y CA 3.708 61.764 58.100 -0.074 0.000 1.164 127 Y CB 0.088 38.538 38.460 -0.017 0.000 0.978 127 Y HN -0.334 8.043 8.280 0.161 0.000 0.513 128 E N -0.880 119.317 120.200 -0.004 0.000 2.051 128 E HA -0.294 4.064 4.350 0.014 0.000 0.192 128 E C 1.661 178.032 176.600 -0.383 0.000 0.991 128 E CA 2.562 58.904 56.400 -0.096 0.000 0.799 128 E CB -0.321 29.372 29.700 -0.011 0.000 0.748 128 E HN -0.594 7.777 8.360 0.019 0.000 0.449 129 L N -4.199 116.642 121.223 -0.638 0.000 2.549 129 L HA -0.151 3.626 4.340 -0.939 0.000 0.229 129 L C -0.379 176.259 176.870 -0.386 0.000 1.158 129 L CA 0.387 54.800 54.840 -0.712 0.000 0.842 129 L CB -0.128 41.502 42.059 -0.715 0.000 0.952 129 L HN -0.532 7.321 8.230 -0.629 0.000 0.452 130 N N -3.332 115.183 118.700 -0.309 0.000 2.721 130 N HA -0.415 4.219 4.740 -0.287 -0.067 0.249 130 N C -0.901 174.526 175.510 -0.139 0.000 1.072 130 N CA 1.051 53.957 53.050 -0.240 0.000 0.710 130 N CB -1.337 37.024 38.487 -0.210 0.000 0.993 130 N HN -0.624 7.366 8.380 -0.322 0.196 0.547 131 I N -0.383 120.123 120.570 -0.107 0.000 2.342 131 I HA 0.201 4.376 4.170 0.009 0.000 0.291 131 I C -2.555 173.609 176.117 0.079 0.000 1.010 131 I CA -2.540 58.764 61.300 0.008 0.000 1.308 131 I CB 0.572 38.618 38.000 0.078 0.000 1.400 131 I HN -0.427 7.680 8.210 -0.145 0.016 0.488 132 P HA 0.298 5.106 4.420 0.281 -0.220 0.268 132 P C -0.950 176.526 177.300 0.292 0.000 1.205 132 P CA -0.250 63.022 63.100 0.287 0.000 0.771 132 P CB 0.559 32.481 31.700 0.370 0.000 0.858 133 T N -2.105 112.611 114.554 0.269 0.000 2.916 133 T HA 0.859 5.473 4.350 0.142 -0.180 0.292 133 T C -0.552 174.237 174.700 0.148 0.000 1.055 133 T CA -2.526 59.666 62.100 0.152 0.000 1.009 133 T CB 3.930 72.823 68.868 0.040 0.000 1.118 133 T HN -0.030 8.634 8.240 0.277 -0.257 0.497 134 I N -0.390 120.284 120.570 0.174 0.000 2.619 134 I HA 0.261 4.654 4.170 0.111 -0.156 0.292 134 I C -2.583 173.684 176.117 0.250 0.000 1.100 134 I CA -0.904 60.502 61.300 0.176 0.000 1.043 134 I CB 4.702 42.816 38.000 0.190 0.000 1.239 134 I HN 0.263 8.566 8.210 0.156 0.000 0.420 135 L N 6.511 127.849 121.223 0.192 0.000 2.277 135 L HA 0.539 5.224 4.340 0.303 -0.162 0.284 135 L C -2.006 174.939 176.870 0.125 0.000 1.028 135 L CA -1.454 53.495 54.840 0.183 0.000 0.835 135 L CB 2.241 44.279 42.059 -0.035 0.000 1.215 135 L HN 0.100 8.386 8.230 0.093 0.000 0.425 136 D N 7.420 127.931 120.400 0.184 0.000 2.383 136 D HA 0.178 4.898 4.640 0.133 0.000 0.245 136 D C -0.940 175.468 176.300 0.181 0.000 1.263 136 D CA 0.403 54.503 54.000 0.166 0.000 0.936 136 D CB -0.008 40.901 40.800 0.183 0.000 1.053 136 D HN 0.058 8.561 8.370 0.223 0.000 0.507 137 M N 5.977 125.626 119.600 0.082 0.000 2.231 137 M HA 0.211 4.758 4.480 0.112 0.000 0.347 137 M C -1.311 174.952 176.300 -0.062 0.000 0.901 137 M CA -0.526 54.781 55.300 0.010 0.000 1.064 137 M CB 2.040 34.539 32.600 -0.168 0.000 1.861 137 M HN -0.333 7.984 8.290 0.046 0.000 0.638 138 K N -1.180 119.211 120.400 -0.015 0.000 3.278 138 K HA -0.368 4.035 4.320 0.031 -0.064 0.270 138 K C -0.372 176.182 176.600 -0.076 0.000 0.955 138 K CA 0.840 57.125 56.287 -0.003 0.000 0.723 138 K CB -2.752 29.769 32.500 0.033 0.000 1.382 138 K HN -0.326 7.936 8.250 0.020 0.000 0.461 139 I N -5.966 114.511 120.570 -0.154 0.000 2.779 139 I HA 0.021 3.964 4.170 -0.379 0.000 0.285 139 I C -1.724 174.337 176.117 -0.094 0.000 1.134 139 I CA 0.067 61.195 61.300 -0.287 0.000 1.398 139 I CB 1.479 39.173 38.000 -0.510 0.000 1.404 139 I HN -0.673 7.457 8.210 -0.133 0.000 0.587 140 N N 1.742 120.414 118.700 -0.046 0.000 2.516 140 N HA 0.203 4.984 4.740 0.069 0.000 0.268 140 N C -2.219 173.364 175.510 0.121 0.000 1.096 140 N CA -0.881 52.203 53.050 0.057 0.000 0.954 140 N CB 2.490 41.013 38.487 0.060 0.000 1.676 140 N HN -0.203 8.128 8.380 -0.083 0.000 0.490 141 D N 0.976 121.450 120.400 0.123 0.000 2.879 141 D HA 0.132 4.819 4.640 0.080 0.000 0.346 141 D C -1.739 174.597 176.300 0.060 0.000 1.390 141 D CA -0.807 53.253 54.000 0.100 0.000 0.838 141 D CB 2.073 42.950 40.800 0.128 0.000 1.416 141 D HN -0.024 8.412 8.370 0.111 0.000 0.493 142 I N -4.094 116.495 120.570 0.032 0.000 3.004 142 I HA 0.221 4.399 4.170 0.012 0.000 0.287 142 I C 1.009 177.137 176.117 0.019 0.000 1.144 142 I CA -0.313 60.995 61.300 0.014 0.000 1.353 142 I CB 0.863 38.862 38.000 -0.001 0.000 1.417 142 I HN -0.052 8.174 8.210 0.025 0.000 0.602 143 G N 0.645 109.453 108.800 0.014 0.000 2.459 143 G HA2 -0.421 3.560 3.960 0.034 0.000 0.217 143 G HA3 -0.421 3.620 3.960 0.017 -0.071 0.217 143 G C 1.592 176.496 174.900 0.007 0.000 1.183 143 G CA 2.640 47.751 45.100 0.020 0.000 0.776 143 G HN 0.489 8.784 8.290 0.008 0.000 0.552 144 N N -1.032 117.663 118.700 -0.008 0.000 2.205 144 N HA -0.257 4.470 4.740 -0.023 0.000 0.186 144 N C 1.220 176.704 175.510 -0.043 0.000 1.015 144 N CA 2.188 55.224 53.050 -0.024 0.000 0.862 144 N CB -0.283 38.188 38.487 -0.026 0.000 0.986 144 N HN 0.310 8.685 8.380 -0.008 0.000 0.429 145 T N 0.228 114.755 114.554 -0.045 0.000 2.894 145 T HA -0.158 4.124 4.350 -0.114 0.000 0.258 145 T C 1.787 176.412 174.700 -0.126 0.000 1.043 145 T CA 3.794 65.840 62.100 -0.090 0.000 1.141 145 T CB 0.570 69.394 68.868 -0.072 0.000 0.873 145 T HN -0.732 7.471 8.240 -0.028 0.020 0.449 146 V N -0.410 119.493 119.914 -0.018 0.000 2.759 146 V HA -0.379 3.801 4.120 0.100 0.000 0.256 146 V C 0.830 176.958 176.094 0.057 0.000 1.080 146 V CA 3.540 65.888 62.300 0.080 0.000 1.101 146 V CB -0.694 31.236 31.823 0.179 0.000 0.698 146 V HN -0.196 8.002 8.190 0.013 0.000 0.477 147 K N -0.306 120.102 120.400 0.013 0.000 2.189 147 K HA -0.409 3.935 4.320 0.041 0.000 0.207 147 K C 2.212 178.806 176.600 -0.010 0.000 1.046 147 K CA 3.545 59.838 56.287 0.010 0.000 0.928 147 K CB -0.733 31.756 32.500 -0.019 0.000 0.720 147 K HN -0.553 7.699 8.250 0.002 0.000 0.458 148 N N -1.403 117.241 118.700 -0.094 0.000 2.216 148 N HA -0.206 4.479 4.740 -0.092 0.000 0.183 148 N C 2.158 177.614 175.510 -0.090 0.000 1.017 148 N CA 3.111 56.074 53.050 -0.145 0.000 0.861 148 N CB -0.093 38.222 38.487 -0.287 0.000 0.986 148 N HN -0.588 7.688 8.380 -0.134 0.024 0.428 149 Y N 0.198 120.487 120.300 -0.018 0.000 2.200 149 Y HA -0.286 4.270 4.550 0.011 0.000 0.290 149 Y C 2.026 177.924 175.900 -0.004 0.000 1.137 149 Y CA 2.576 60.671 58.100 -0.009 0.000 1.163 149 Y CB -0.544 37.892 38.460 -0.040 0.000 0.988 149 Y HN -0.808 7.290 8.280 -0.151 0.091 0.518 150 R N -0.759 119.854 120.500 0.188 0.000 2.096 150 R HA -0.568 3.965 4.340 0.322 0.000 0.240 150 R C 1.775 178.130 176.300 0.090 0.000 1.139 150 R CA 4.071 60.293 56.100 0.203 0.000 0.952 150 R CB -0.232 30.175 30.300 0.179 0.000 0.854 150 R HN 0.113 8.496 8.270 0.187 0.000 0.436 151 K N -1.573 118.865 120.400 0.064 0.000 1.991 151 K HA -0.349 3.994 4.320 0.039 0.000 0.212 151 K C 1.876 178.509 176.600 0.054 0.000 1.049 151 K CA 3.575 59.890 56.287 0.046 0.000 0.932 151 K CB -0.320 32.200 32.500 0.034 0.000 0.717 151 K HN -0.448 7.841 8.250 0.064 0.000 0.441 152 F N -0.264 119.635 119.950 -0.086 0.000 2.063 152 F HA -0.385 4.104 4.527 -0.064 0.000 0.298 152 F C 1.759 177.464 175.800 -0.158 0.000 1.109 152 F CA 2.875 60.818 58.000 -0.095 0.000 1.212 152 F CB 0.003 38.938 39.000 -0.109 0.000 0.973 152 F HN -0.568 7.854 8.300 0.203 0.000 0.480 153 I N -2.463 117.810 120.570 -0.495 0.000 2.277 153 I HA -0.510 2.962 4.170 -1.162 0.000 0.243 153 I C 1.672 177.244 176.117 -0.909 0.000 1.094 153 I CA 4.399 65.126 61.300 -0.955 0.000 1.393 153 I CB 0.354 37.728 38.000 -1.043 0.000 1.078 153 I HN -0.241 7.814 8.210 -0.257 0.000 0.417 154 F N -3.654 116.047 119.950 -0.414 0.000 2.656 154 F HA 0.257 4.542 4.527 -0.404 0.000 0.291 154 F C 2.657 178.285 175.800 -0.287 0.000 1.122 154 F CA 0.822 58.528 58.000 -0.489 0.000 1.427 154 F CB 0.547 38.855 39.000 -1.154 0.000 1.125 154 F HN 0.090 8.115 8.300 -0.459 0.000 0.583 155 E N -0.475 119.689 120.200 -0.060 0.000 2.094 155 E HA -0.123 4.240 4.350 0.023 0.000 0.193 155 E C 0.979 177.564 176.600 -0.026 0.000 0.950 155 E CA 2.164 58.565 56.400 0.001 0.000 0.842 155 E CB 0.518 30.246 29.700 0.045 0.000 0.816 155 E HN -0.300 8.010 8.360 -0.084 0.000 0.465 156 Y N -0.355 119.851 120.300 -0.157 0.000 2.130 156 Y HA -0.269 4.216 4.550 -0.110 0.000 0.287 156 Y C 1.109 176.847 175.900 -0.269 0.000 1.124 156 Y CA 3.160 61.162 58.100 -0.163 0.000 1.118 156 Y CB 0.782 39.196 38.460 -0.077 0.000 0.994 156 Y HN -0.451 7.882 8.280 0.088 0.000 0.497 157 L N -5.868 115.101 121.223 -0.423 0.000 2.313 157 L HA -0.199 3.823 4.340 -0.530 0.000 0.214 157 L C -0.614 176.048 176.870 -0.348 0.000 1.119 157 L CA 0.936 55.423 54.840 -0.590 0.000 0.809 157 L CB 0.460 41.825 42.059 -1.157 0.000 0.933 157 L HN -0.482 7.477 8.230 -0.451 0.000 0.449 158 K N -6.849 113.390 120.400 -0.269 0.000 3.071 158 K HA -0.420 4.084 4.320 -0.029 -0.202 0.265 158 K C -0.780 175.882 176.600 0.103 0.000 1.060 158 K CA 0.280 56.525 56.287 -0.069 0.000 0.767 158 K CB -2.946 29.453 32.500 -0.169 0.000 1.241 158 K HN -0.266 7.776 8.250 -0.287 0.035 0.486 159 S N -2.053 113.611 115.700 -0.061 0.000 2.573 159 S HA -0.109 4.592 4.470 0.385 0.000 0.277 159 S C 0.963 175.655 174.600 0.152 0.000 1.346 159 S CA 1.019 59.282 58.200 0.105 0.000 1.034 159 S CB 1.726 64.814 63.200 -0.188 0.000 0.879 159 S HN -0.426 7.666 8.310 -0.327 0.021 0.528 160 D N 3.199 123.648 120.400 0.082 0.000 2.289 160 D HA 0.014 4.712 4.640 0.096 0.000 0.207 160 D C -0.604 175.521 176.300 -0.292 0.000 0.966 160 D CA 2.235 56.182 54.000 -0.088 0.000 0.868 160 D CB 0.987 41.650 40.800 -0.228 0.000 0.943 160 D HN -0.292 8.126 8.370 0.080 0.000 0.514 161 S N -7.040 108.545 115.700 -0.192 0.000 2.636 161 S HA 0.592 5.374 4.470 0.203 -0.191 0.266 161 S C -2.300 172.306 174.600 0.010 0.000 1.147 161 S CA -0.735 57.407 58.200 -0.096 0.000 0.815 161 S CB 2.228 65.100 63.200 -0.546 0.000 1.119 161 S HN -0.663 7.538 8.310 -0.130 0.031 0.470 162 C N -3.016 116.360 119.300 0.127 0.000 3.318 162 C HA 0.812 5.447 4.460 0.064 -0.137 0.322 162 C C -1.367 173.744 174.990 0.202 0.000 1.398 162 C CA -1.581 57.486 59.018 0.082 0.000 1.339 162 C CB 3.470 31.152 27.740 -0.097 0.000 1.668 162 C HN 0.179 8.520 8.230 0.185 0.000 0.462 163 T N -0.858 113.788 114.554 0.153 0.000 2.907 163 T HA 0.911 5.621 4.350 0.266 -0.201 0.284 163 T C -0.281 174.485 174.700 0.110 0.000 1.004 163 T CA -1.784 60.425 62.100 0.181 0.000 1.063 163 T CB 1.287 70.249 68.868 0.158 0.000 0.992 163 T HN 0.012 8.314 8.240 0.103 0.000 0.483 164 V N 1.502 121.499 119.914 0.138 0.000 2.760 164 V HA 0.270 4.568 4.120 0.056 -0.145 0.309 164 V C -2.391 173.771 176.094 0.113 0.000 1.077 164 V CA -1.562 60.799 62.300 0.102 0.000 0.910 164 V CB 4.112 36.007 31.823 0.120 0.000 1.008 164 V HN 0.181 8.480 8.190 0.182 0.000 0.424 165 N N 4.459 123.211 118.700 0.085 0.000 2.457 165 N HA 0.220 5.032 4.740 0.120 0.000 0.250 165 N C -0.622 174.956 175.510 0.114 0.000 0.982 165 N CA -1.248 51.864 53.050 0.105 0.000 0.941 165 N CB 0.955 39.494 38.487 0.087 0.000 1.120 165 N HN 0.116 8.531 8.380 0.059 0.000 0.505 166 I N 0.826 121.473 120.570 0.128 0.000 3.874 166 I HA 0.219 4.439 4.170 0.083 0.000 0.331 166 I C 0.100 176.278 176.117 0.101 0.000 1.489 166 I CA -0.628 60.733 61.300 0.102 0.000 1.187 166 I CB -1.195 36.860 38.000 0.092 0.000 1.150 166 I HN 0.354 8.647 8.210 0.138 0.000 0.412 167 Y N 3.979 124.289 120.300 0.017 0.000 2.207 167 Y HA -0.410 4.137 4.550 -0.005 0.000 0.287 167 Y C 0.483 176.375 175.900 -0.014 0.000 1.156 167 Y CA 3.568 61.664 58.100 -0.006 0.000 1.182 167 Y CB 0.172 38.615 38.460 -0.028 0.000 0.979 167 Y HN -0.354 8.304 8.280 0.252 -0.226 0.521 168 M N -3.671 115.847 119.600 -0.135 0.000 2.279 168 M HA -0.210 4.081 4.480 -0.315 0.000 0.264 168 M C 0.276 176.470 176.300 -0.176 0.000 1.062 168 M CA 1.461 56.643 55.300 -0.196 0.000 1.099 168 M CB 0.584 33.151 32.600 -0.056 0.000 1.394 168 M HN -0.119 8.180 8.290 0.016 0.000 0.426 169 G N -4.232 104.505 108.800 -0.106 0.000 2.368 169 G HA2 -0.083 3.822 3.960 -0.090 0.000 0.302 169 G HA3 -0.083 3.829 3.960 -0.080 0.000 0.302 169 G C -1.934 172.954 174.900 -0.021 0.000 1.329 169 G CA -0.583 44.471 45.100 -0.076 0.000 0.935 169 G HN -0.838 7.288 8.290 -0.065 0.124 0.590 170 T N -5.364 109.179 114.554 -0.018 0.000 3.022 170 T HA -0.040 4.327 4.350 0.028 0.000 0.250 170 T C 1.391 176.093 174.700 0.003 0.000 1.060 170 T CA 0.221 62.326 62.100 0.008 0.000 1.013 170 T CB 0.908 69.783 68.868 0.012 0.000 0.982 170 T HN -0.015 8.206 8.240 -0.032 0.000 0.508 171 N N 2.478 121.167 118.700 -0.019 0.000 2.205 171 N HA -0.287 4.435 4.740 -0.030 0.000 0.186 171 N C 2.062 177.585 175.510 0.021 0.000 1.015 171 N CA 3.447 56.487 53.050 -0.017 0.000 0.862 171 N CB -0.062 38.406 38.487 -0.032 0.000 0.986 171 N HN 0.178 8.540 8.380 -0.031 0.000 0.429 172 M N -2.840 116.777 119.600 0.029 0.000 2.267 172 M HA -0.221 4.289 4.480 0.050 0.000 0.263 172 M C 1.378 177.725 176.300 0.079 0.000 1.063 172 M CA 2.946 58.278 55.300 0.053 0.000 1.090 172 M CB -0.473 32.161 32.600 0.056 0.000 1.392 172 M HN -0.290 7.995 8.290 0.019 0.017 0.422 173 L N -1.070 120.201 121.223 0.079 0.000 2.191 173 L HA -0.310 4.095 4.340 0.107 0.000 0.212 173 L C 1.738 178.682 176.870 0.124 0.000 1.103 173 L CA 2.190 57.090 54.840 0.100 0.000 0.769 173 L CB -1.051 41.063 42.059 0.092 0.000 0.908 173 L HN -0.364 7.777 8.230 0.065 0.128 0.438 174 K N -3.244 117.230 120.400 0.124 0.000 2.209 174 K HA -0.295 4.165 4.320 0.235 0.000 0.204 174 K C 0.309 177.008 176.600 0.166 0.000 1.048 174 K CA 3.122 59.517 56.287 0.181 0.000 0.940 174 K CB -0.119 32.478 32.500 0.161 0.000 0.729 174 K HN -0.372 7.808 8.250 0.096 0.128 0.451 175 D N -3.926 116.540 120.400 0.110 0.000 2.424 175 D HA 0.204 4.877 4.640 0.055 0.000 0.220 175 D C -0.670 175.694 176.300 0.107 0.000 1.150 175 D CA 0.291 54.339 54.000 0.080 0.000 0.831 175 D CB 0.888 41.721 40.800 0.054 0.000 0.981 175 D HN -0.667 7.642 8.370 0.101 0.121 0.500 176 I N -1.458 119.192 120.570 0.134 0.000 3.739 176 I HA 0.056 4.347 4.170 0.202 0.000 0.272 176 I C 0.141 176.331 176.117 0.120 0.000 1.167 176 I CA 1.457 62.859 61.300 0.169 0.000 1.386 176 I CB 1.956 40.065 38.000 0.182 0.000 1.490 176 I HN -0.586 7.527 8.210 0.134 0.177 0.452 177 C N -2.041 117.324 119.300 0.109 0.000 2.626 177 C HA -0.022 4.516 4.460 -0.013 -0.086 0.266 177 C C -1.312 173.748 174.990 0.116 0.000 1.317 177 C CA 0.306 59.364 59.018 0.066 0.000 1.716 177 C CB -1.376 26.399 27.740 0.057 0.000 1.819 177 C HN -0.324 7.980 8.230 0.124 0.000 0.578 178 Y N -0.405 119.862 120.300 -0.055 0.000 2.470 178 Y HA 0.577 5.038 4.550 -0.435 -0.172 0.341 178 Y C -2.615 173.199 175.900 -0.143 0.000 1.021 178 Y CA -2.817 55.149 58.100 -0.224 0.000 1.025 178 Y CB 3.434 41.792 38.460 -0.170 0.000 1.266 178 Y HN -0.910 7.424 8.280 0.184 0.057 0.448 179 D N 5.585 125.573 120.400 -0.687 0.000 2.440 179 D HA 0.370 4.738 4.640 -0.453 0.000 0.252 179 D C -0.693 175.020 176.300 -0.978 0.000 1.180 179 D CA -2.077 51.568 54.000 -0.591 0.000 0.894 179 D CB 2.003 42.680 40.800 -0.204 0.000 1.111 179 D HN 0.071 7.994 8.370 -0.746 0.000 0.544 180 E N 6.531 126.108 120.200 -1.039 0.000 2.204 180 E HA -0.253 3.481 4.350 -1.027 0.000 0.194 180 E C 0.906 177.301 176.600 -0.341 0.000 0.989 180 E CA 2.613 58.545 56.400 -0.780 0.000 0.824 180 E CB 0.329 29.791 29.700 -0.398 0.000 0.756 180 E HN 0.509 8.373 8.360 -0.827 0.000 0.477 181 E N -0.748 119.297 120.200 -0.258 0.000 2.028 181 E HA -0.206 4.077 4.350 -0.112 0.000 0.191 181 E C 1.385 177.911 176.600 -0.123 0.000 0.988 181 E CA 2.108 58.423 56.400 -0.143 0.000 0.799 181 E CB 0.148 29.786 29.700 -0.102 0.000 0.755 181 E HN -0.357 7.985 8.360 -0.274 -0.146 0.447 182 K N -4.146 116.167 120.400 -0.145 0.000 2.444 182 K HA -0.082 4.197 4.320 -0.068 0.000 0.193 182 K C -0.665 175.862 176.600 -0.120 0.000 1.024 182 K CA -0.512 55.714 56.287 -0.102 0.000 1.077 182 K CB 0.437 32.897 32.500 -0.067 0.000 0.833 182 K HN -0.613 7.712 8.250 -0.175 -0.180 0.517 183 N N -2.334 116.250 118.700 -0.192 0.000 2.738 183 N HA -0.326 4.343 4.740 -0.167 -0.030 0.249 183 N C -1.430 173.960 175.510 -0.199 0.000 1.047 183 N CA 1.104 54.066 53.050 -0.147 0.000 0.707 183 N CB -1.324 37.158 38.487 -0.007 0.000 0.937 183 N HN -0.275 7.902 8.380 -0.256 0.049 0.545 184 K N -3.325 116.840 120.400 -0.393 0.000 2.208 184 K HA 0.348 4.499 4.320 -0.282 0.000 0.247 184 K C -2.186 173.937 176.600 -0.795 0.000 0.953 184 K CA -2.054 53.949 56.287 -0.473 0.000 0.837 184 K CB 2.974 35.206 32.500 -0.446 0.000 1.131 184 K HN -0.673 7.304 8.250 -0.456 0.000 0.431 185 Y N -1.848 118.043 120.300 -0.681 0.000 2.499 185 Y HA 0.527 5.023 4.550 -0.377 -0.172 0.347 185 Y C -0.566 174.798 175.900 -0.893 0.000 0.987 185 Y CA -1.281 56.485 58.100 -0.556 0.000 1.044 185 Y CB 4.279 42.581 38.460 -0.262 0.000 1.245 185 Y HN 0.183 8.166 8.280 -0.495 0.000 0.461 186 Y N -0.109 120.072 120.300 -0.199 0.000 2.562 186 Y HA 0.039 4.326 4.550 -0.439 0.000 0.345 186 Y C -1.182 174.464 175.900 -0.424 0.000 1.045 186 Y CA -1.463 56.323 58.100 -0.523 0.000 1.028 186 Y CB 3.791 41.461 38.460 -1.317 0.000 1.297 186 Y HN 0.119 8.209 8.280 -0.159 0.095 0.463 187 S N 0.544 116.076 115.700 -0.281 0.000 2.617 187 S HA 0.545 4.924 4.470 -0.461 -0.185 0.283 187 S C -1.466 172.959 174.600 -0.292 0.000 1.189 187 S CA -0.758 57.167 58.200 -0.457 0.000 1.036 187 S CB 2.350 65.059 63.200 -0.818 0.000 1.014 187 S HN 0.097 8.258 8.310 -0.249 0.000 0.522 188 A N 1.481 124.103 122.820 -0.330 0.000 2.572 188 A HA 0.774 5.261 4.320 0.023 -0.153 0.295 188 A C -2.611 174.877 177.584 -0.159 0.000 1.072 188 A CA -0.992 50.992 52.037 -0.089 0.000 0.691 188 A CB 3.733 22.767 19.000 0.056 0.000 1.291 188 A HN 0.126 8.010 8.150 -0.443 0.000 0.404 189 F N -0.037 119.999 119.950 0.143 0.000 2.426 189 F HA 0.440 5.184 4.527 0.226 -0.082 0.348 189 F C -0.343 175.570 175.800 0.189 0.000 1.124 189 F CA -1.043 57.079 58.000 0.204 0.000 1.008 189 F CB 2.567 41.704 39.000 0.228 0.000 1.139 189 F HN 0.250 8.804 8.300 0.424 0.000 0.452 190 V N -2.007 118.128 119.914 0.367 0.000 2.644 190 V HA 0.810 5.287 4.120 0.248 -0.208 0.295 190 V C -0.378 175.902 176.094 0.310 0.000 1.053 190 V CA -2.616 59.863 62.300 0.298 0.000 0.987 190 V CB 1.826 33.803 31.823 0.258 0.000 1.006 190 V HN 0.746 9.159 8.190 0.372 0.000 0.472 191 L N 2.307 123.663 121.223 0.222 0.000 2.410 191 L HA -0.198 4.257 4.340 0.192 0.000 0.273 191 L C -0.427 176.541 176.870 0.164 0.000 1.144 191 L CA 1.213 56.162 54.840 0.182 0.000 0.863 191 L CB -1.263 40.877 42.059 0.134 0.000 1.140 191 L HN -0.277 8.069 8.230 0.193 0.000 0.463 192 V N 3.773 123.777 119.914 0.151 0.000 3.001 192 V HA 0.104 4.283 4.120 0.098 0.000 0.228 192 V C -0.599 175.534 176.094 0.066 0.000 1.204 192 V CA 1.243 63.605 62.300 0.103 0.000 1.247 192 V CB 1.700 33.541 31.823 0.030 0.000 1.093 192 V HN 0.161 8.448 8.190 0.163 0.000 0.504 193 K N 0.000 120.404 120.400 0.006 0.000 2.535 193 K HA 0.503 4.958 4.320 -0.110 -0.201 0.253 193 K C -1.243 175.329 176.600 -0.048 0.000 0.953 193 K CA -1.967 54.257 56.287 -0.106 0.000 0.863 193 K CB 1.470 33.788 32.500 -0.303 0.000 1.111 193 K HN -0.590 7.685 8.250 0.042 0.000 0.431 194 T N 5.155 119.691 114.554 -0.030 0.000 2.912 194 T HA 0.384 4.738 4.350 0.007 0.000 0.280 194 T C 0.153 174.834 174.700 -0.032 0.000 0.989 194 T CA -2.161 59.935 62.100 -0.006 0.000 0.995 194 T CB 1.839 70.721 68.868 0.023 0.000 1.077 194 T HN 0.113 8.615 8.240 -0.031 -0.281 0.531 195 T N -5.671 108.873 114.554 -0.017 0.000 3.100 195 T HA -0.157 4.161 4.350 -0.052 0.000 0.253 195 T C 0.023 174.709 174.700 -0.025 0.000 1.118 195 T CA -0.028 62.054 62.100 -0.029 0.000 1.058 195 T CB 0.339 69.200 68.868 -0.012 0.000 0.953 195 T HN -0.019 8.221 8.240 0.001 0.000 0.515 196 N N 2.572 121.263 118.700 -0.015 0.000 2.454 196 N HA 0.077 4.811 4.740 -0.009 0.000 0.254 196 N C -0.255 175.235 175.510 -0.033 0.000 1.228 196 N CA -1.075 51.965 53.050 -0.016 0.000 0.900 196 N CB -0.627 37.856 38.487 -0.008 0.000 1.089 196 N HN -0.452 7.923 8.380 -0.009 0.000 0.449 197 P HA -0.200 4.198 4.420 -0.037 0.000 0.216 197 P C -0.342 176.926 177.300 -0.052 0.000 1.150 197 P CA 2.010 65.088 63.100 -0.037 0.000 0.843 197 P CB 0.104 31.788 31.700 -0.027 0.000 0.787 198 D N -6.087 114.276 120.400 -0.061 0.000 2.395 198 D HA 0.090 4.673 4.640 -0.095 0.000 0.226 198 D C 1.226 177.457 176.300 -0.115 0.000 1.146 198 D CA -0.627 53.317 54.000 -0.094 0.000 0.830 198 D CB -1.338 39.399 40.800 -0.104 0.000 0.958 198 D HN 0.248 8.565 8.370 -0.053 0.021 0.501 199 S N 0.158 115.808 115.700 -0.084 0.000 2.419 199 S HA -0.349 4.087 4.470 -0.057 0.000 0.235 199 S C 1.143 175.690 174.600 -0.088 0.000 1.019 199 S CA 2.878 61.035 58.200 -0.073 0.000 0.982 199 S CB -0.716 62.446 63.200 -0.063 0.000 0.789 199 S HN -0.197 8.001 8.310 -0.071 0.069 0.490 200 A N 0.367 123.125 122.820 -0.103 0.000 2.121 200 A HA -0.131 4.151 4.320 -0.064 0.000 0.218 200 A C 1.384 178.887 177.584 -0.135 0.000 1.154 200 A CA 2.129 54.112 52.037 -0.091 0.000 0.679 200 A CB -0.835 18.120 19.000 -0.075 0.000 0.795 200 A HN -0.066 7.994 8.150 -0.101 0.030 0.458 201 I N -5.842 114.568 120.570 -0.267 0.000 2.208 201 I HA -0.473 3.506 4.170 -0.317 0.000 0.245 201 I C 0.654 176.475 176.117 -0.493 0.000 1.097 201 I CA 3.483 64.502 61.300 -0.468 0.000 1.363 201 I CB -0.243 37.311 38.000 -0.743 0.000 1.051 201 I HN -0.311 7.689 8.210 -0.272 0.046 0.413 202 F N -1.722 118.206 119.950 -0.037 0.000 2.480 202 F HA -0.043 4.467 4.527 -0.029 0.000 0.280 202 F C 2.091 177.890 175.800 -0.003 0.000 1.002 202 F CA 2.229 60.206 58.000 -0.038 0.000 1.325 202 F CB 0.402 39.341 39.000 -0.102 0.000 1.134 202 F HN -0.907 7.206 8.300 -0.312 0.000 0.646 203 Q N -2.009 117.893 119.800 0.171 0.000 2.234 203 Q HA -0.412 4.036 4.340 0.179 0.000 0.206 203 Q C 1.414 177.523 176.000 0.181 0.000 0.980 203 Q CA 3.800 59.696 55.803 0.155 0.000 0.869 203 Q CB -0.114 28.679 28.738 0.091 0.000 0.912 203 Q HN -0.058 8.294 8.270 0.138 0.000 0.436 204 K N -3.417 117.048 120.400 0.107 0.000 2.306 204 K HA 0.037 4.473 4.320 0.193 0.000 0.200 204 K C 1.833 178.472 176.600 0.065 0.000 1.083 204 K CA 1.459 57.812 56.287 0.111 0.000 0.959 204 K CB 0.493 33.021 32.500 0.047 0.000 0.994 204 K HN -0.677 7.587 8.250 0.057 0.020 0.492 205 N N -1.446 117.278 118.700 0.040 0.000 2.446 205 N HA -0.097 4.656 4.740 0.021 0.000 0.179 205 N C 0.186 175.729 175.510 0.055 0.000 1.054 205 N CA 1.000 54.066 53.050 0.028 0.000 0.905 205 N CB 0.672 39.154 38.487 -0.009 0.000 0.973 205 N HN -0.509 7.889 8.380 0.030 0.000 0.448 206 L N -0.454 120.823 121.223 0.091 0.000 2.439 206 L HA 0.151 4.541 4.340 0.083 0.000 0.261 206 L C -0.657 176.243 176.870 0.051 0.000 1.153 206 L CA 0.387 55.282 54.840 0.092 0.000 0.808 206 L CB 1.134 43.275 42.059 0.137 0.000 1.126 206 L HN -0.573 7.724 8.230 0.113 0.000 0.460 207 S N -0.578 115.142 115.700 0.033 0.000 2.661 207 S HA 0.788 5.368 4.470 -0.016 -0.120 0.268 207 S C -2.122 172.478 174.600 0.001 0.000 1.162 207 S CA -0.634 57.566 58.200 0.000 0.000 0.817 207 S CB 2.790 65.984 63.200 -0.010 0.000 1.141 207 S HN -0.079 8.255 8.310 0.040 0.000 0.477 208 L N 0.074 121.287 121.223 -0.016 0.000 2.611 208 L HA 0.436 4.775 4.340 -0.002 0.000 0.260 208 L C -1.313 175.547 176.870 -0.017 0.000 0.924 208 L CA 0.895 55.728 54.840 -0.011 0.000 0.901 208 L CB 2.672 44.725 42.059 -0.009 0.000 1.369 208 L HN 0.217 8.428 8.230 -0.032 0.000 0.415 209 D N 5.704 126.100 120.400 -0.007 0.000 2.811 209 D HA -0.331 4.310 4.640 0.002 0.000 0.231 209 D C -0.663 175.633 176.300 -0.007 0.000 1.157 209 D CA 1.645 55.643 54.000 -0.003 0.000 0.716 209 D CB -1.655 39.145 40.800 -0.001 0.000 1.077 209 D HN 0.530 8.899 8.370 -0.002 0.000 0.428 210 N N -10.031 108.662 118.700 -0.012 0.000 2.994 210 N HA -0.449 4.285 4.740 -0.009 0.000 0.221 210 N C -1.342 174.144 175.510 -0.039 0.000 0.900 210 N CA 1.596 54.638 53.050 -0.013 0.000 1.008 210 N CB -0.808 37.681 38.487 0.002 0.000 1.053 210 N HN 0.325 8.672 8.380 -0.010 0.026 0.580 211 K N 0.127 120.487 120.400 -0.068 0.000 2.164 211 K HA 0.278 4.502 4.320 -0.160 0.000 0.258 211 K C -0.954 175.549 176.600 -0.162 0.000 0.951 211 K CA -1.093 55.109 56.287 -0.142 0.000 0.844 211 K CB 1.542 33.942 32.500 -0.167 0.000 1.099 211 K HN -0.354 7.700 8.250 -0.057 0.162 0.435 212 Q N 1.553 121.198 119.800 -0.258 0.000 2.421 212 Q HA -0.097 4.334 4.340 -0.095 -0.147 0.255 212 Q C 1.655 177.531 176.000 -0.208 0.000 1.013 212 Q CA 0.823 56.505 55.803 -0.203 0.000 0.895 212 Q CB 0.967 29.582 28.738 -0.205 0.000 1.271 212 Q HN 0.491 8.553 8.270 -0.348 0.000 0.460 213 A N 4.659 127.454 122.820 -0.042 0.000 1.917 213 A HA -0.336 3.979 4.320 -0.008 0.000 0.219 213 A C 1.550 179.136 177.584 0.002 0.000 1.182 213 A CA 3.378 55.422 52.037 0.011 0.000 0.633 213 A CB -0.183 18.876 19.000 0.099 0.000 0.819 213 A HN 0.320 8.478 8.150 0.014 0.000 0.448 214 Y N -3.993 116.277 120.300 -0.050 0.000 2.224 214 Y HA -0.356 4.164 4.550 -0.050 0.000 0.289 214 Y C 1.579 177.411 175.900 -0.114 0.000 1.146 214 Y CA 2.467 60.524 58.100 -0.072 0.000 1.182 214 Y CB -1.089 37.330 38.460 -0.069 0.000 0.983 214 Y HN -0.400 7.988 8.280 0.199 0.011 0.524 215 V N 1.058 120.537 119.914 -0.726 0.000 2.307 215 V HA -0.516 3.390 4.120 -0.356 0.000 0.245 215 V C 1.893 177.867 176.094 -0.201 0.000 1.045 215 V CA 3.790 65.781 62.300 -0.515 0.000 1.024 215 V CB -0.119 31.262 31.823 -0.736 0.000 0.651 215 V HN -0.758 6.843 8.190 -0.982 0.000 0.449 216 I N -1.060 119.401 120.570 -0.182 0.000 2.208 216 I HA -0.483 3.651 4.170 -0.061 0.000 0.245 216 I C 1.884 177.969 176.117 -0.053 0.000 1.097 216 I CA 2.730 63.980 61.300 -0.082 0.000 1.363 216 I CB -1.179 36.786 38.000 -0.058 0.000 1.051 216 I HN -0.693 7.382 8.210 -0.225 0.000 0.413 217 M N 0.408 119.975 119.600 -0.055 0.000 2.067 217 M HA -0.549 3.932 4.480 0.001 0.000 0.260 217 M C 1.380 177.628 176.300 -0.086 0.000 1.069 217 M CA 4.374 59.659 55.300 -0.026 0.000 1.117 217 M CB -0.090 32.525 32.600 0.025 0.000 1.334 217 M HN 0.025 8.280 8.290 -0.059 0.000 0.407 218 A N -2.213 120.453 122.820 -0.256 0.000 1.892 218 A HA -0.435 3.511 4.320 -0.624 0.000 0.218 218 A C 1.989 179.318 177.584 -0.425 0.000 1.188 218 A CA 3.264 54.914 52.037 -0.644 0.000 0.631 218 A CB -1.108 17.173 19.000 -1.197 0.000 0.822 218 A HN -0.379 7.623 8.150 -0.247 0.000 0.447 219 Q N -1.654 118.012 119.800 -0.224 0.000 2.079 219 Q HA -0.334 4.023 4.340 0.029 0.000 0.200 219 Q C 2.381 178.417 176.000 0.060 0.000 0.974 219 Q CA 2.754 58.573 55.803 0.026 0.000 0.840 219 Q CB -0.429 28.428 28.738 0.199 0.000 0.898 219 Q HN -0.419 7.765 8.270 -0.143 0.000 0.430 220 E N -0.554 119.666 120.200 0.033 0.000 2.106 220 E HA -0.329 4.052 4.350 0.052 0.000 0.192 220 E C 2.175 178.813 176.600 0.062 0.000 0.984 220 E CA 2.472 58.898 56.400 0.043 0.000 0.806 220 E CB -0.393 29.320 29.700 0.022 0.000 0.750 220 E HN -0.537 7.829 8.360 0.009 0.000 0.458 221 A N -0.212 122.656 122.820 0.079 0.000 1.908 221 A HA -0.255 4.133 4.320 0.113 0.000 0.218 221 A C 2.343 180.009 177.584 0.137 0.000 1.181 221 A CA 3.149 55.266 52.037 0.133 0.000 0.627 221 A CB -0.769 18.371 19.000 0.234 0.000 0.818 221 A HN 0.017 8.203 8.150 0.060 0.000 0.445 222 L N -3.210 118.099 121.223 0.143 0.000 2.109 222 L HA -0.381 4.026 4.340 0.112 0.000 0.207 222 L C 2.260 179.203 176.870 0.122 0.000 1.086 222 L CA 2.681 57.598 54.840 0.128 0.000 0.760 222 L CB -0.523 41.624 42.059 0.147 0.000 0.910 222 L HN -0.489 7.823 8.230 0.136 0.000 0.437 223 N N 0.069 118.840 118.700 0.119 0.000 2.149 223 N HA -0.354 4.460 4.740 0.123 0.000 0.188 223 N C 2.221 177.805 175.510 0.123 0.000 1.019 223 N CA 3.042 56.160 53.050 0.114 0.000 0.857 223 N CB -0.601 37.941 38.487 0.092 0.000 0.997 223 N HN -0.082 8.367 8.380 0.116 0.000 0.426 224 M N 0.031 119.695 119.600 0.106 0.000 2.156 224 M HA -0.212 4.348 4.480 0.132 0.000 0.264 224 M C 1.203 177.594 176.300 0.152 0.000 1.067 224 M CA 2.057 57.430 55.300 0.121 0.000 1.131 224 M CB -0.569 32.079 32.600 0.079 0.000 1.368 224 M HN -0.359 7.981 8.290 0.094 0.006 0.416 225 S N 0.144 115.911 115.700 0.111 0.000 2.365 225 S HA -0.393 4.122 4.470 0.076 0.000 0.225 225 S C 1.534 176.175 174.600 0.070 0.000 1.039 225 S CA 4.133 62.383 58.200 0.083 0.000 1.033 225 S CB -0.570 62.673 63.200 0.070 0.000 0.887 225 S HN -0.214 8.160 8.310 0.105 0.000 0.447 226 S N 2.158 117.911 115.700 0.087 0.000 2.355 226 S HA -0.201 4.287 4.470 0.031 0.000 0.222 226 S C 2.260 176.896 174.600 0.060 0.000 1.031 226 S CA 3.162 61.401 58.200 0.064 0.000 0.993 226 S CB -0.583 62.666 63.200 0.082 0.000 0.859 226 S HN -0.289 8.082 8.310 0.102 0.000 0.453 227 Y N 3.457 123.757 120.300 -0.001 0.000 2.207 227 Y HA -0.290 4.251 4.550 -0.014 0.000 0.287 227 Y C 1.400 177.272 175.900 -0.045 0.000 1.156 227 Y CA 2.930 61.021 58.100 -0.014 0.000 1.182 227 Y CB 0.240 38.699 38.460 -0.001 0.000 0.979 227 Y HN -0.116 8.312 8.280 0.247 0.000 0.521 228 L N -5.738 115.505 121.223 0.034 0.000 2.599 228 L HA -0.129 4.064 4.340 -0.245 0.000 0.230 228 L C -0.851 175.932 176.870 -0.145 0.000 1.141 228 L CA 0.198 54.980 54.840 -0.096 0.000 0.877 228 L CB 0.172 42.255 42.059 0.040 0.000 1.009 228 L HN -0.265 8.049 8.230 0.151 0.007 0.447 229 N N -3.761 114.851 118.700 -0.148 0.000 2.725 229 N HA -0.378 4.273 4.740 -0.148 0.000 0.249 229 N C 0.193 175.552 175.510 -0.253 0.000 1.103 229 N CA 1.423 54.358 53.050 -0.192 0.000 0.707 229 N CB -2.266 36.073 38.487 -0.246 0.000 1.043 229 N HN -0.393 7.746 8.380 -0.113 0.172 0.553 230 L N -2.564 118.570 121.223 -0.149 0.000 2.012 230 L HA -0.409 3.790 4.340 -0.234 0.000 0.210 230 L C 1.569 178.343 176.870 -0.161 0.000 1.073 230 L CA 3.899 58.647 54.840 -0.153 0.000 0.748 230 L CB -0.522 41.514 42.059 -0.039 0.000 0.891 230 L HN -0.520 7.653 8.230 -0.080 0.010 0.431 231 E N -2.913 117.237 120.200 -0.083 0.000 2.208 231 E HA -0.298 4.226 4.350 -0.010 -0.179 0.193 231 E C 2.933 179.480 176.600 -0.088 0.000 0.988 231 E CA 2.678 59.056 56.400 -0.037 0.000 0.828 231 E CB -0.554 29.159 29.700 0.021 0.000 0.763 231 E HN 0.132 8.455 8.360 -0.063 0.000 0.478 232 Q N -1.391 118.324 119.800 -0.142 0.000 2.291 232 Q HA -0.196 4.072 4.340 -0.120 0.000 0.205 232 Q C 0.243 176.104 176.000 -0.231 0.000 0.970 232 Q CA 2.313 58.017 55.803 -0.165 0.000 0.876 232 Q CB -0.251 28.383 28.738 -0.173 0.000 0.935 232 Q HN -0.113 8.052 8.270 -0.150 0.015 0.455 233 N N -1.514 116.983 118.700 -0.338 0.000 2.321 233 N HA 0.157 4.716 4.740 -0.301 0.000 0.242 233 N C -1.639 173.746 175.510 -0.209 0.000 1.141 233 N CA -0.191 52.632 53.050 -0.378 0.000 0.864 233 N CB 0.491 38.467 38.487 -0.852 0.000 1.100 233 N HN -0.680 7.337 8.380 -0.368 0.142 0.510 234 N N -3.751 114.875 118.700 -0.123 0.000 2.747 234 N HA -0.429 4.300 4.740 -0.018 0.000 0.249 234 N C -1.723 173.774 175.510 -0.021 0.000 1.107 234 N CA 1.845 54.868 53.050 -0.045 0.000 0.707 234 N CB -1.442 37.027 38.487 -0.031 0.000 1.054 234 N HN -0.268 7.878 8.380 -0.119 0.162 0.555 235 E N -4.785 115.381 120.200 -0.057 0.000 2.393 235 E HA 0.821 5.084 4.350 -0.146 0.000 0.265 235 E C -1.825 174.743 176.600 -0.054 0.000 0.941 235 E CA -1.592 54.737 56.400 -0.118 0.000 0.801 235 E CB 4.381 33.991 29.700 -0.150 0.000 1.313 235 E HN -0.514 7.768 8.360 -0.083 0.029 0.435 236 F N -6.486 113.348 119.950 -0.193 0.000 2.715 236 F HA 0.503 4.938 4.527 -0.154 0.000 0.318 236 F C -2.122 173.546 175.800 -0.220 0.000 1.141 236 F CA -1.784 56.078 58.000 -0.230 0.000 0.950 236 F CB 2.705 41.462 39.000 -0.405 0.000 1.374 236 F HN 0.040 7.874 8.300 -0.777 0.000 0.477 237 I N 0.194 120.804 120.570 0.066 0.000 2.355 237 I HA 0.652 4.978 4.170 -0.089 -0.209 0.288 237 I C 0.172 176.268 176.117 -0.034 0.000 0.999 237 I CA -0.912 60.384 61.300 -0.006 0.000 1.163 237 I CB 2.362 40.378 38.000 0.026 0.000 1.316 237 I HN 0.057 8.330 8.210 0.106 0.000 0.454 238 G N 4.729 113.473 108.800 -0.093 0.000 2.887 238 G HA2 0.748 4.370 3.960 -0.585 0.000 0.277 238 G HA3 0.748 4.692 3.960 -0.136 -0.065 0.277 238 G C -2.447 172.447 174.900 -0.010 0.000 1.346 238 G CA -1.590 43.355 45.100 -0.259 0.000 1.058 238 G HN 0.646 8.836 8.290 -0.167 0.000 0.535 239 F N -3.603 116.586 119.950 0.398 0.000 2.493 239 F HA 0.689 5.561 4.527 0.273 -0.181 0.329 239 F C -0.035 175.981 175.800 0.360 0.000 1.126 239 F CA -3.100 55.091 58.000 0.318 0.000 0.937 239 F CB 2.863 41.990 39.000 0.211 0.000 1.146 239 F HN 0.157 8.589 8.300 0.221 0.000 0.442 240 V N 4.211 124.403 119.914 0.463 0.000 2.415 240 V HA 0.054 4.510 4.120 0.217 -0.206 0.267 240 V C -0.725 175.498 176.094 0.214 0.000 1.042 240 V CA 0.793 63.252 62.300 0.264 0.000 1.000 240 V CB -0.199 31.735 31.823 0.186 0.000 1.015 240 V HN 0.615 9.079 8.190 0.456 0.000 0.478 241 V N 8.565 128.585 119.914 0.177 0.000 2.407 241 V HA 0.414 4.736 4.120 0.072 -0.159 0.291 241 V C 0.045 176.168 176.094 0.049 0.000 1.018 241 V CA -1.933 60.432 62.300 0.108 0.000 0.842 241 V CB 2.693 34.608 31.823 0.153 0.000 0.996 241 V HN -0.092 8.206 8.190 0.179 0.000 0.426 242 G N 5.219 114.016 108.800 -0.005 0.000 2.287 242 G HA2 -0.186 3.886 3.960 -0.016 0.000 0.235 242 G HA3 -0.186 3.736 3.960 -0.064 0.000 0.235 242 G C 0.270 175.133 174.900 -0.062 0.000 1.258 242 G CA 0.337 45.415 45.100 -0.038 0.000 0.884 242 G HN 0.933 9.100 8.290 -0.020 0.112 0.518 243 A N 4.560 127.351 122.820 -0.047 0.000 1.978 243 A HA -0.262 4.063 4.320 0.008 0.000 0.220 243 A C -0.199 177.272 177.584 -0.188 0.000 1.170 243 A CA 2.455 54.470 52.037 -0.037 0.000 0.636 243 A CB 0.225 19.233 19.000 0.014 0.000 0.810 243 A HN 0.444 8.576 8.150 -0.031 0.000 0.448 244 N N -7.470 111.030 118.700 -0.334 0.000 2.230 244 N HA -0.028 4.000 4.740 -1.187 0.000 0.202 244 N C -0.711 174.246 175.510 -0.922 0.000 1.119 244 N CA -0.209 52.396 53.050 -0.742 0.000 0.851 244 N CB 0.374 38.677 38.487 -0.307 0.000 0.990 244 N HN 0.087 8.295 8.380 -0.234 0.031 0.497 245 S N 3.203 118.582 115.700 -0.535 0.000 3.729 245 S HA 0.312 4.590 4.470 -0.320 0.000 0.235 245 S C -0.503 173.965 174.600 -0.220 0.000 1.367 245 S CA -0.027 57.969 58.200 -0.340 0.000 0.907 245 S CB -1.852 61.218 63.200 -0.217 0.000 1.471 245 S HN -0.722 7.310 8.310 -0.381 0.050 0.476 246 Y N 3.594 123.914 120.300 0.033 0.000 2.220 246 Y HA -0.400 4.189 4.550 0.065 0.000 0.291 246 Y C 1.419 177.367 175.900 0.079 0.000 1.129 246 Y CA 4.313 62.447 58.100 0.058 0.000 1.161 246 Y CB -0.006 38.487 38.460 0.056 0.000 0.997 246 Y HN -0.720 7.382 8.280 -0.296 0.000 0.522 247 D N -1.622 118.907 120.400 0.216 0.000 2.123 247 D HA -0.335 4.430 4.640 0.208 0.000 0.196 247 D C 2.083 178.509 176.300 0.208 0.000 0.992 247 D CA 3.606 57.720 54.000 0.190 0.000 0.833 247 D CB -1.145 39.745 40.800 0.150 0.000 0.954 247 D HN 0.468 8.958 8.370 0.201 0.000 0.455 248 E N 0.005 120.261 120.200 0.094 0.000 2.046 248 E HA -0.167 4.291 4.350 0.181 0.000 0.190 248 E C 2.287 179.013 176.600 0.210 0.000 0.982 248 E CA 2.551 58.976 56.400 0.041 0.000 0.800 248 E CB -0.384 29.085 29.700 -0.385 0.000 0.756 248 E HN 0.014 8.388 8.360 0.023 0.000 0.449 249 M N 0.852 120.545 119.600 0.155 0.000 2.080 249 M HA -0.443 4.170 4.480 0.221 0.000 0.260 249 M C 1.212 177.666 176.300 0.256 0.000 1.068 249 M CA 3.297 58.721 55.300 0.207 0.000 1.109 249 M CB -0.238 32.467 32.600 0.174 0.000 1.342 249 M HN 0.016 8.363 8.290 0.095 0.000 0.405 250 N N -1.472 117.373 118.700 0.242 0.000 2.104 250 N HA -0.340 4.514 4.740 0.189 0.000 0.190 250 N C 2.056 177.709 175.510 0.238 0.000 1.024 250 N CA 3.428 56.608 53.050 0.217 0.000 0.853 250 N CB 0.026 38.627 38.487 0.190 0.000 1.008 250 N HN -0.279 8.241 8.380 0.234 0.000 0.424 251 Y N 0.753 121.178 120.300 0.208 0.000 2.165 251 Y HA -0.386 4.274 4.550 0.183 0.000 0.286 251 Y C 2.011 178.066 175.900 0.259 0.000 1.155 251 Y CA 3.638 61.874 58.100 0.226 0.000 1.164 251 Y CB 0.300 38.932 38.460 0.286 0.000 0.978 251 Y HN -0.346 8.127 8.280 0.437 0.070 0.513 252 I N -1.445 119.459 120.570 0.557 0.000 2.113 252 I HA -0.532 4.095 4.170 0.762 0.000 0.238 252 I C 2.098 178.498 176.117 0.473 0.000 1.070 252 I CA 3.019 64.679 61.300 0.599 0.000 1.332 252 I CB -1.119 37.207 38.000 0.544 0.000 1.044 252 I HN 0.115 8.650 8.210 0.541 0.000 0.402 253 R N -0.643 120.057 120.500 0.334 0.000 2.159 253 R HA -0.247 4.259 4.340 0.275 0.000 0.237 253 R C 2.334 178.727 176.300 0.154 0.000 1.131 253 R CA 2.550 58.797 56.100 0.247 0.000 0.982 253 R CB -0.883 29.538 30.300 0.202 0.000 0.868 253 R HN -0.085 8.374 8.270 0.316 0.000 0.453 254 T N 0.678 115.283 114.554 0.084 0.000 2.732 254 T HA -0.225 4.105 4.350 -0.033 0.000 0.261 254 T C 1.074 175.683 174.700 -0.151 0.000 1.040 254 T CA 4.589 66.661 62.100 -0.047 0.000 1.145 254 T CB 0.207 69.008 68.868 -0.112 0.000 0.866 254 T HN -0.605 7.680 8.240 0.107 0.019 0.427 255 Y N -0.716 119.370 120.300 -0.356 0.000 2.420 255 Y HA -0.158 4.080 4.550 -0.520 0.000 0.292 255 Y C -0.356 175.094 175.900 -0.750 0.000 1.119 255 Y CA 1.710 59.416 58.100 -0.657 0.000 1.229 255 Y CB 1.698 39.593 38.460 -0.942 0.000 1.026 255 Y HN -0.584 7.643 8.280 -0.088 0.000 0.554 256 F N -2.995 117.129 119.950 0.290 0.000 2.371 256 F HA 0.541 5.205 4.527 0.228 0.000 0.343 256 F C -1.784 174.111 175.800 0.159 0.000 1.150 256 F CA -4.051 54.109 58.000 0.266 0.000 1.220 256 F CB -1.080 38.187 39.000 0.446 0.000 1.475 256 F HN -0.104 8.294 8.300 0.164 0.000 0.521 257 P HA 0.084 4.882 4.420 0.139 -0.295 0.222 257 P C 0.039 177.421 177.300 0.137 0.000 1.147 257 P CA 1.495 64.672 63.100 0.129 0.000 0.790 257 P CB 0.437 32.168 31.700 0.052 0.000 0.780 258 N N -3.354 115.383 118.700 0.062 0.000 2.234 258 N HA 0.095 4.679 4.740 -0.259 0.000 0.227 258 N C 0.035 175.363 175.510 -0.303 0.000 1.151 258 N CA -0.649 52.315 53.050 -0.143 0.000 0.865 258 N CB -0.063 38.374 38.487 -0.084 0.000 1.066 258 N HN 0.095 8.505 8.380 0.100 0.030 0.515 259 C N -0.483 118.739 119.300 -0.131 0.000 2.700 259 C HA 0.169 4.474 4.460 -0.258 0.000 0.397 259 C C -0.649 174.075 174.990 -0.445 0.000 1.301 259 C CA -1.508 57.372 59.018 -0.230 0.000 2.219 259 C CB 0.846 28.552 27.740 -0.057 0.000 2.699 259 C HN -0.552 7.704 8.230 0.043 0.000 0.669 260 Y N -0.123 119.903 120.300 -0.457 0.000 2.327 260 Y HA 0.064 4.410 4.550 -0.341 0.000 0.336 260 Y C -0.598 175.274 175.900 -0.046 0.000 1.035 260 Y CA -0.309 57.558 58.100 -0.389 0.000 1.165 260 Y CB 0.861 38.792 38.460 -0.880 0.000 1.181 260 Y HN 0.300 8.434 8.280 -0.244 0.000 0.494 261 I N 2.456 123.176 120.570 0.249 0.000 2.433 261 I HA 0.522 5.134 4.170 0.408 -0.197 0.292 261 I C -1.706 174.598 176.117 0.313 0.000 1.001 261 I CA -1.624 59.874 61.300 0.330 0.000 1.119 261 I CB 3.120 41.269 38.000 0.248 0.000 1.289 261 I HN 0.504 8.703 8.210 0.165 0.110 0.438 262 L N 7.189 128.541 121.223 0.215 0.000 2.287 262 L HA 0.398 4.682 4.340 -0.092 0.000 0.287 262 L C -2.553 174.320 176.870 0.004 0.000 1.022 262 L CA -1.198 53.576 54.840 -0.110 0.000 0.814 262 L CB 2.710 44.332 42.059 -0.727 0.000 1.217 262 L HN 0.126 8.548 8.230 0.319 0.000 0.420 263 S N 7.511 123.217 115.700 0.010 0.000 2.577 263 S HA 0.814 5.496 4.470 0.044 -0.186 0.294 263 S C -2.169 172.436 174.600 0.009 0.000 1.161 263 S CA -3.528 54.692 58.200 0.033 0.000 1.143 263 S CB 0.836 64.073 63.200 0.062 0.000 0.991 263 S HN 0.652 8.962 8.310 -0.001 0.000 0.475 264 P HA 0.371 4.788 4.420 -0.005 0.000 0.281 264 P C -0.299 177.003 177.300 0.004 0.000 1.281 264 P CA -0.587 62.515 63.100 0.003 0.000 0.811 264 P CB 2.209 33.918 31.700 0.016 0.000 1.154 265 G N -2.540 106.261 108.800 0.003 0.000 2.617 265 G HA2 -0.242 3.722 3.960 0.007 0.000 0.197 265 G HA3 -0.242 3.714 3.960 -0.007 0.000 0.197 265 G C -0.824 174.081 174.900 0.009 0.000 1.017 265 G CA -0.229 44.872 45.100 0.002 0.000 0.713 265 G HN 0.285 8.575 8.290 0.001 0.000 0.481 266 I N 4.079 124.655 120.570 0.010 0.000 2.452 266 I HA -0.191 4.007 4.170 0.046 0.000 0.287 266 I C -1.326 174.790 176.117 -0.002 0.000 1.079 266 I CA 1.019 62.334 61.300 0.025 0.000 1.387 266 I CB -0.342 37.684 38.000 0.043 0.000 1.404 266 I HN -0.199 8.014 8.210 0.004 0.000 0.522 267 G N 4.680 113.497 108.800 0.029 0.000 3.016 267 G HA2 0.209 4.166 3.960 -0.006 0.000 0.270 267 G HA3 0.209 4.233 3.960 0.033 -0.044 0.270 267 G C 0.076 175.024 174.900 0.081 0.000 1.352 267 G CA -1.139 43.977 45.100 0.028 0.000 1.060 267 G HN -0.501 8.028 8.290 0.047 -0.212 0.538 268 A N -1.605 121.267 122.820 0.087 0.000 1.933 268 A HA -0.096 4.336 4.320 0.187 0.000 0.218 268 A C 0.782 178.425 177.584 0.099 0.000 1.175 268 A CA 2.098 54.210 52.037 0.124 0.000 0.628 268 A CB 0.135 19.192 19.000 0.096 0.000 0.814 268 A HN 0.357 8.546 8.150 0.065 0.000 0.444 269 Q N -2.390 117.454 119.800 0.073 0.000 2.135 269 Q HA 0.091 4.466 4.340 0.058 0.000 0.231 269 Q C -1.365 174.670 176.000 0.057 0.000 0.817 269 Q CA -0.615 55.224 55.803 0.059 0.000 1.073 269 Q CB -0.002 28.764 28.738 0.045 0.000 1.176 269 Q HN 0.522 8.807 8.270 0.067 0.025 0.478 270 N N -1.980 116.761 118.700 0.068 0.000 2.934 270 N HA 0.209 4.989 4.740 0.067 0.000 0.253 270 N C -1.641 173.922 175.510 0.089 0.000 1.466 270 N CA -0.064 53.028 53.050 0.069 0.000 0.858 270 N CB 2.046 40.566 38.487 0.055 0.000 1.459 270 N HN -0.763 7.663 8.380 0.076 0.000 0.532 271 G N -1.928 106.934 108.800 0.103 0.000 2.612 271 G HA2 -0.277 3.942 3.960 0.152 0.000 0.686 271 G HA3 -0.277 3.758 3.960 0.125 0.000 0.686 271 G C -2.166 172.825 174.900 0.152 0.000 1.274 271 G CA -0.137 45.044 45.100 0.135 0.000 0.849 271 G HN 0.222 8.573 8.290 0.102 0.000 0.595 272 D N -0.252 120.264 120.400 0.192 0.000 2.323 272 D HA 0.106 4.819 4.640 0.122 0.000 0.242 272 D C 0.179 176.580 176.300 0.170 0.000 1.347 272 D CA -0.795 53.297 54.000 0.154 0.000 0.988 272 D CB 0.562 41.428 40.800 0.110 0.000 1.314 272 D HN 0.282 8.791 8.370 0.231 0.000 0.564 273 L N 4.848 126.160 121.223 0.150 0.000 2.127 273 L HA -0.345 4.078 4.340 0.139 0.000 0.211 273 L C 1.123 178.061 176.870 0.115 0.000 1.089 273 L CA 2.703 57.624 54.840 0.136 0.000 0.757 273 L CB -0.015 42.120 42.059 0.127 0.000 0.899 273 L HN 0.357 8.670 8.230 0.139 0.000 0.434 274 H N -0.941 118.144 119.070 0.025 0.000 2.333 274 H HA -0.309 4.243 4.556 -0.007 0.000 0.302 274 H C 1.781 177.102 175.328 -0.011 0.000 1.075 274 H CA 4.088 60.132 56.048 -0.007 0.000 1.348 274 H CB 0.357 30.099 29.762 -0.034 0.000 1.393 274 H HN -0.441 8.080 8.280 0.211 -0.114 0.509 275 K N -1.150 119.323 120.400 0.120 0.000 2.097 275 K HA -0.286 4.033 4.320 -0.000 0.000 0.206 275 K C 2.329 178.969 176.600 0.066 0.000 1.049 275 K CA 3.175 59.446 56.287 -0.026 0.000 0.933 275 K CB 0.043 32.322 32.500 -0.369 0.000 0.717 275 K HN -0.640 7.938 8.250 0.134 -0.247 0.442 276 T N 2.647 117.319 114.554 0.197 0.000 2.701 276 T HA -0.329 4.240 4.350 0.365 0.000 0.263 276 T C 1.521 176.308 174.700 0.145 0.000 1.040 276 T CA 4.871 67.125 62.100 0.256 0.000 1.147 276 T CB 0.189 69.190 68.868 0.223 0.000 0.865 276 T HN -0.358 7.999 8.240 0.196 0.000 0.426 277 L N -0.012 121.256 121.223 0.074 0.000 2.141 277 L HA -0.222 4.180 4.340 0.103 0.000 0.209 277 L C 0.788 177.696 176.870 0.063 0.000 1.094 277 L CA 2.456 57.334 54.840 0.063 0.000 0.763 277 L CB -0.280 41.787 42.059 0.013 0.000 0.908 277 L HN -0.321 7.941 8.230 0.053 0.000 0.437 278 T N -0.001 114.522 114.554 -0.053 0.000 2.737 278 T HA -0.339 4.097 4.350 -0.101 -0.147 0.265 278 T C 2.489 177.227 174.700 0.063 0.000 1.038 278 T CA 4.509 66.563 62.100 -0.076 0.000 1.144 278 T CB -0.133 68.607 68.868 -0.212 0.000 0.866 278 T HN -0.498 7.664 8.240 -0.108 0.013 0.434 279 N N 1.031 119.787 118.700 0.094 0.000 2.223 279 N HA -0.212 4.604 4.740 0.126 0.000 0.185 279 N C 1.363 176.977 175.510 0.174 0.000 1.016 279 N CA 2.927 56.064 53.050 0.144 0.000 0.863 279 N CB 0.196 38.800 38.487 0.196 0.000 0.983 279 N HN -0.582 7.850 8.380 0.087 0.000 0.429 280 G N -3.974 104.935 108.800 0.181 0.000 3.233 280 G HA2 0.103 4.177 3.960 0.191 0.000 0.234 280 G HA3 0.103 4.168 3.960 0.176 0.000 0.234 280 G C -1.928 173.084 174.900 0.187 0.000 1.137 280 G CA -0.960 44.251 45.100 0.185 0.000 0.763 280 G HN -0.538 7.855 8.290 0.172 0.000 0.549 281 Y N 1.905 122.254 120.300 0.081 0.000 2.702 281 Y HA -0.413 4.186 4.550 0.090 0.004 0.336 281 Y C -1.805 174.178 175.900 0.137 0.000 1.235 281 Y CA 2.229 60.377 58.100 0.079 0.000 1.492 281 Y CB 0.572 39.040 38.460 0.014 0.000 1.308 281 Y HN -1.072 7.329 8.280 0.292 0.053 0.589 282 H N 6.003 124.595 119.070 -0.797 0.000 2.865 282 H HA 0.189 4.408 4.556 -0.562 0.000 0.362 282 H C -0.527 174.204 175.328 -0.995 0.000 1.114 282 H CA -1.130 54.486 56.048 -0.720 0.000 1.208 282 H CB 2.946 32.493 29.762 -0.359 0.000 1.727 282 H HN -0.017 7.869 8.280 -0.658 0.000 0.534 283 K N 1.358 121.267 120.400 -0.819 0.000 2.089 283 K HA -0.324 3.875 4.320 -0.202 0.000 0.210 283 K C 0.298 176.811 176.600 -0.146 0.000 1.048 283 K CA 2.110 58.204 56.287 -0.321 0.000 0.926 283 K CB -0.071 32.329 32.500 -0.167 0.000 0.714 283 K HN 0.255 7.959 8.250 -0.910 0.000 0.448 284 S N 2.777 118.478 115.700 0.001 0.000 3.483 284 S HA 0.224 4.478 4.470 -0.359 0.000 0.274 284 S C -0.076 174.375 174.600 -0.248 0.000 1.289 284 S CA -0.253 57.842 58.200 -0.174 0.000 0.938 284 S CB -1.762 61.361 63.200 -0.127 0.000 1.453 284 S HN -0.590 7.883 8.310 0.271 0.000 0.494 285 Y N 1.908 122.138 120.300 -0.115 0.000 2.529 285 Y HA 0.037 4.535 4.550 -0.179 -0.055 0.290 285 Y C 1.221 177.078 175.900 -0.072 0.000 1.177 285 Y CA 0.143 58.164 58.100 -0.131 0.000 1.305 285 Y CB -0.656 37.747 38.460 -0.095 0.000 1.047 285 Y HN -0.291 7.399 8.280 -0.983 0.000 0.522 286 E N 1.127 121.247 120.200 -0.133 0.000 2.333 286 E HA -0.304 4.077 4.350 0.053 0.000 0.198 286 E C 0.179 176.777 176.600 -0.004 0.000 1.007 286 E CA 2.257 58.638 56.400 -0.030 0.000 0.845 286 E CB -1.598 28.056 29.700 -0.077 0.000 0.766 286 E HN 0.459 8.585 8.360 -0.337 0.032 0.507 287 K N -2.513 117.781 120.400 -0.176 0.000 2.525 287 K HA -0.054 4.114 4.320 -0.254 0.000 0.192 287 K C -0.689 175.867 176.600 -0.072 0.000 1.029 287 K CA 0.495 56.599 56.287 -0.306 0.000 1.029 287 K CB 0.387 32.429 32.500 -0.764 0.000 0.814 287 K HN -0.476 7.593 8.250 -0.247 0.033 0.503 288 I N 0.229 120.819 120.570 0.034 0.000 2.796 288 I HA 0.189 4.534 4.170 0.104 -0.112 0.279 288 I C -2.187 173.998 176.117 0.113 0.000 1.289 288 I CA -1.977 59.379 61.300 0.092 0.000 1.021 288 I CB 0.777 38.835 38.000 0.097 0.000 1.414 288 I HN -0.566 7.501 8.210 0.050 0.173 0.562 289 L N 6.283 127.577 121.223 0.117 0.000 2.433 289 L HA 0.044 4.608 4.340 0.094 -0.168 0.275 289 L C -0.927 175.974 176.870 0.051 0.000 1.128 289 L CA -0.229 54.664 54.840 0.087 0.000 0.875 289 L CB 0.287 42.395 42.059 0.081 0.000 1.171 289 L HN -0.010 8.304 8.230 0.141 0.000 0.463 290 I N 4.023 124.620 120.570 0.044 0.000 2.307 290 I HA 0.225 4.535 4.170 0.031 -0.121 0.287 290 I C -0.954 175.157 176.117 -0.010 0.000 1.054 290 I CA -3.059 58.257 61.300 0.028 0.000 1.218 290 I CB -1.352 36.672 38.000 0.041 0.000 1.398 290 I HN 0.083 8.323 8.210 0.051 0.000 0.475 291 N N 8.820 127.505 118.700 -0.025 0.000 2.458 291 N HA 0.303 5.260 4.740 -0.058 -0.252 0.270 291 N C -1.124 174.335 175.510 -0.085 0.000 1.102 291 N CA 0.272 53.292 53.050 -0.050 0.000 0.967 291 N CB 1.328 39.793 38.487 -0.036 0.000 1.078 291 N HN -0.015 8.355 8.380 -0.016 0.000 0.471 292 I N 4.511 124.999 120.570 -0.138 0.000 2.418 292 I HA 0.379 4.415 4.170 -0.223 0.000 0.287 292 I C -0.373 175.644 176.117 -0.166 0.000 1.008 292 I CA -2.300 58.859 61.300 -0.235 0.000 1.104 292 I CB 1.237 38.950 38.000 -0.479 0.000 1.264 292 I HN 0.409 8.541 8.210 -0.131 0.000 0.438 293 G N 4.551 113.278 108.800 -0.121 0.000 2.495 293 G HA2 0.220 4.315 3.960 -0.048 0.000 0.219 293 G HA3 0.220 4.149 3.960 -0.052 0.000 0.219 293 G C 0.999 175.867 174.900 -0.053 0.000 1.875 293 G CA 0.131 45.192 45.100 -0.066 0.000 0.757 293 G HN 0.408 8.626 8.290 -0.121 0.000 0.682 294 R N 2.646 123.120 120.500 -0.043 0.000 2.105 294 R HA -0.282 4.058 4.340 -0.001 0.000 0.239 294 R C 2.347 178.654 176.300 0.012 0.000 1.135 294 R CA 3.015 59.109 56.100 -0.010 0.000 0.967 294 R CB -0.524 29.776 30.300 0.000 0.000 0.861 294 R HN 0.173 8.416 8.270 -0.045 0.000 0.442 295 A N -3.956 118.851 122.820 -0.023 0.000 2.131 295 A HA -0.190 4.174 4.320 0.073 0.000 0.220 295 A C 0.555 178.179 177.584 0.067 0.000 1.158 295 A CA 2.133 54.182 52.037 0.021 0.000 0.665 295 A CB -0.855 18.113 19.000 -0.052 0.000 0.795 295 A HN 0.273 8.373 8.150 -0.061 0.013 0.460 296 I N -4.006 116.572 120.570 0.012 0.000 2.729 296 I HA -0.072 4.165 4.170 0.112 0.000 0.256 296 I C 2.032 178.204 176.117 0.092 0.000 1.115 296 I CA 2.168 63.505 61.300 0.061 0.000 1.446 296 I CB 1.310 39.316 38.000 0.011 0.000 1.176 296 I HN -0.444 7.601 8.210 -0.033 0.145 0.446 297 T N -2.156 112.452 114.554 0.090 0.000 3.023 297 T HA -0.164 4.280 4.350 0.156 0.000 0.266 297 T C 1.148 175.994 174.700 0.242 0.000 1.093 297 T CA 2.700 64.904 62.100 0.173 0.000 1.129 297 T CB 0.304 69.287 68.868 0.191 0.000 0.899 297 T HN -0.298 7.978 8.240 0.061 0.000 0.491 298 K N -1.706 118.785 120.400 0.151 0.000 2.374 298 K HA 0.071 4.483 4.320 0.154 0.000 0.196 298 K C -0.343 176.338 176.600 0.134 0.000 1.023 298 K CA -0.223 56.145 56.287 0.134 0.000 1.103 298 K CB 0.398 32.946 32.500 0.079 0.000 0.848 298 K HN -0.366 7.951 8.250 0.112 0.000 0.528 299 N N 1.733 120.522 118.700 0.149 0.000 2.488 299 N HA 0.172 4.975 4.740 0.105 0.000 0.274 299 N C -0.926 174.698 175.510 0.189 0.000 1.111 299 N CA -2.269 50.865 53.050 0.140 0.000 0.974 299 N CB 1.029 39.605 38.487 0.148 0.000 1.089 299 N HN -0.719 7.591 8.380 0.152 0.161 0.465 300 P HA -0.133 4.453 4.420 0.275 0.000 0.222 300 P C -0.622 176.952 177.300 0.455 0.000 1.147 300 P CA 1.257 64.487 63.100 0.216 0.000 0.790 300 P CB 0.571 32.286 31.700 0.025 0.000 0.780 301 Y N -0.703 119.684 120.300 0.146 0.000 2.960 301 Y HA 0.391 5.037 4.550 0.160 0.000 0.343 301 Y C -1.369 174.593 175.900 0.104 0.000 1.106 301 Y CA -3.187 54.992 58.100 0.132 0.000 1.221 301 Y CB -0.236 38.282 38.460 0.097 0.000 1.232 301 Y HN -0.122 8.667 8.280 0.248 -0.360 0.577 302 P HA -0.209 4.408 4.420 0.132 -0.118 0.216 302 P C 1.310 178.660 177.300 0.084 0.000 1.150 302 P CA 2.206 65.371 63.100 0.107 0.000 0.837 302 P CB 0.436 32.114 31.700 -0.036 0.000 0.786 303 Q N -2.241 117.602 119.800 0.073 0.000 2.124 303 Q HA -0.339 4.087 4.340 0.144 0.000 0.202 303 Q C 1.818 177.871 176.000 0.089 0.000 0.977 303 Q CA 3.563 59.431 55.803 0.109 0.000 0.850 303 Q CB -0.575 28.220 28.738 0.095 0.000 0.901 303 Q HN 0.478 8.784 8.270 0.060 0.000 0.429 304 K N 0.288 120.749 120.400 0.102 0.000 2.001 304 K HA -0.302 4.041 4.320 0.038 0.000 0.208 304 K C 2.004 178.631 176.600 0.044 0.000 1.048 304 K CA 3.164 59.500 56.287 0.081 0.000 0.932 304 K CB -0.244 32.364 32.500 0.180 0.000 0.715 304 K HN -0.638 7.685 8.250 0.137 0.009 0.437 305 A N -1.274 121.612 122.820 0.109 0.000 1.859 305 A HA -0.336 4.066 4.320 0.136 0.000 0.217 305 A C 1.955 179.656 177.584 0.195 0.000 1.198 305 A CA 3.074 55.211 52.037 0.167 0.000 0.629 305 A CB -0.948 18.187 19.000 0.226 0.000 0.830 305 A HN -0.415 7.823 8.150 0.147 0.000 0.446 306 A N -2.851 120.032 122.820 0.106 0.000 1.940 306 A HA -0.376 4.023 4.320 0.132 0.000 0.219 306 A C 2.116 179.551 177.584 -0.249 0.000 1.176 306 A CA 2.993 55.059 52.037 0.049 0.000 0.631 306 A CB -0.873 18.202 19.000 0.124 0.000 0.814 306 A HN -0.029 8.180 8.150 0.097 0.000 0.446 307 Q N -0.822 118.646 119.800 -0.553 0.000 2.079 307 Q HA -0.345 3.029 4.340 -1.610 0.000 0.200 307 Q C 2.229 178.058 176.000 -0.284 0.000 0.974 307 Q CA 3.107 58.383 55.803 -0.878 0.000 0.840 307 Q CB -0.003 28.345 28.738 -0.651 0.000 0.898 307 Q HN -0.309 7.740 8.270 -0.369 0.000 0.430 308 M N -0.928 118.571 119.600 -0.168 0.000 2.132 308 M HA -0.383 4.020 4.480 -0.128 0.000 0.263 308 M C 2.633 178.826 176.300 -0.178 0.000 1.065 308 M CA 4.439 59.641 55.300 -0.163 0.000 1.122 308 M CB 0.254 32.730 32.600 -0.208 0.000 1.365 308 M HN -0.297 7.904 8.290 -0.149 0.000 0.411 309 Y N -1.222 119.056 120.300 -0.037 0.000 2.200 309 Y HA -0.266 4.469 4.550 -0.011 -0.192 0.290 309 Y C 2.389 178.292 175.900 0.006 0.000 1.137 309 Y CA 3.409 61.503 58.100 -0.011 0.000 1.163 309 Y CB -0.498 37.960 38.460 -0.002 0.000 0.988 309 Y HN -0.202 8.107 8.280 0.047 0.000 0.518 310 Y N 1.247 121.548 120.300 0.002 0.000 2.081 310 Y HA -0.513 4.050 4.550 0.022 0.000 0.280 310 Y C 1.659 177.536 175.900 -0.038 0.000 1.163 310 Y CA 3.229 61.312 58.100 -0.029 0.000 1.135 310 Y CB -0.033 38.360 38.460 -0.111 0.000 0.970 310 Y HN -0.140 8.264 8.280 0.208 0.000 0.498 311 D N -2.541 117.881 120.400 0.037 0.000 2.144 311 D HA -0.322 4.254 4.640 -0.106 0.000 0.199 311 D C 2.754 178.995 176.300 -0.099 0.000 0.984 311 D CA 3.376 57.345 54.000 -0.051 0.000 0.834 311 D CB -0.746 40.058 40.800 0.006 0.000 0.955 311 D HN -0.111 8.317 8.370 0.097 0.000 0.465 312 Q N 0.109 119.862 119.800 -0.077 0.000 2.016 312 Q HA -0.286 4.016 4.340 -0.063 0.000 0.200 312 Q C 2.674 178.635 176.000 -0.064 0.000 0.978 312 Q CA 3.221 58.986 55.803 -0.064 0.000 0.833 312 Q CB 0.135 28.835 28.738 -0.063 0.000 0.895 312 Q HN -0.538 7.691 8.270 -0.068 0.000 0.427 313 I N 0.066 120.599 120.570 -0.061 0.000 2.151 313 I HA -0.655 3.479 4.170 -0.060 0.000 0.243 313 I C 1.449 177.452 176.117 -0.190 0.000 1.080 313 I CA 4.353 65.596 61.300 -0.095 0.000 1.339 313 I CB -0.284 37.671 38.000 -0.076 0.000 1.039 313 I HN -0.099 8.093 8.210 -0.030 0.000 0.409 314 N N -0.360 118.175 118.700 -0.274 0.000 2.120 314 N HA -0.445 4.086 4.740 -0.349 0.000 0.188 314 N C 1.795 177.189 175.510 -0.195 0.000 1.024 314 N CA 3.379 56.243 53.050 -0.309 0.000 0.852 314 N CB 0.225 38.467 38.487 -0.409 0.000 1.003 314 N HN -0.161 8.037 8.380 -0.303 0.000 0.424 315 A N 0.116 122.853 122.820 -0.138 0.000 1.898 315 A HA -0.241 4.029 4.320 -0.083 0.000 0.216 315 A C 2.160 179.695 177.584 -0.081 0.000 1.181 315 A CA 2.920 54.904 52.037 -0.088 0.000 0.620 315 A CB -0.575 18.390 19.000 -0.058 0.000 0.819 315 A HN -0.286 7.782 8.150 -0.135 0.000 0.442 316 I N -0.784 119.736 120.570 -0.084 0.000 2.252 316 I HA -0.427 3.870 4.170 -0.056 -0.161 0.245 316 I C 2.217 178.234 176.117 -0.167 0.000 1.102 316 I CA 4.082 65.324 61.300 -0.096 0.000 1.385 316 I CB 0.061 38.006 38.000 -0.090 0.000 1.064 316 I HN -0.391 7.768 8.210 -0.085 0.000 0.414 317 L N -1.181 119.933 121.223 -0.182 0.000 2.043 317 L HA -0.524 3.734 4.340 -0.137 0.000 0.212 317 L C 2.086 178.858 176.870 -0.163 0.000 1.075 317 L CA 3.614 58.337 54.840 -0.194 0.000 0.752 317 L CB -0.798 41.025 42.059 -0.392 0.000 0.891 317 L HN 0.299 8.414 8.230 -0.191 0.000 0.432 318 K N -0.392 119.925 120.400 -0.137 0.000 2.057 318 K HA -0.299 3.980 4.320 -0.069 0.000 0.206 318 K C 2.131 178.668 176.600 -0.106 0.000 1.050 318 K CA 2.393 58.624 56.287 -0.093 0.000 0.935 318 K CB -0.441 32.018 32.500 -0.068 0.000 0.715 318 K HN -0.615 7.550 8.250 -0.142 0.000 0.439 319 Q N -1.569 118.165 119.800 -0.111 0.000 2.096 319 Q HA -0.294 4.004 4.340 -0.070 0.000 0.208 319 Q C 2.119 178.012 176.000 -0.178 0.000 0.993 319 Q CA 2.818 58.561 55.803 -0.101 0.000 0.862 319 Q CB 0.231 28.940 28.738 -0.048 0.000 0.915 319 Q HN -0.428 7.779 8.270 -0.104 0.000 0.416 320 N N -2.551 115.957 118.700 -0.320 0.000 2.216 320 N HA -0.181 4.284 4.740 -0.459 0.000 0.183 320 N C 0.843 176.058 175.510 -0.492 0.000 1.017 320 N CA 1.478 54.186 53.050 -0.570 0.000 0.861 320 N CB 0.516 38.319 38.487 -1.139 0.000 0.986 320 N HN -0.471 7.715 8.380 -0.323 0.000 0.428 321 M N 0.000 119.427 119.600 -0.288 0.000 2.572 321 M HA 0.000 4.499 4.480 0.032 0.000 0.227 321 M CA 0.000 55.261 55.300 -0.065 0.000 0.988 321 M CB 0.000 32.607 32.600 0.012 0.000 1.302 321 M HN 0.000 8.140 8.290 -0.250 0.000 0.411