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 1llf_1_A DATA FIRST_RESID 1 DATA SEQUENCE APTAKLANGD TITGLNAIIN EAFLGIPFAE PPVGNLRFKD PVPYSGSLNG DATA SEQUENCE QKFTSYGPSc MQQNPEGTFE ENLGKTALDL VMQSKVFQAV LPQSEDcLTI DATA SEQUENCE NVVRPPGTKA GANLPVMLWI FGGGFEIGSP TIFPPAQMVT KSVLMGKPII DATA SEQUENCE HVAVNYRVAS WGFLAGDDIK AEGSGNAGLK DQRLGMQWVA DNIAGFGGDP DATA SEQUENCE SKVTIFGESA GSMSVLCHLI WNDGDNTYKG KPLFRAGIMQ SGAMVPSDPV DATA SEQUENCE DGTYGNEIYD LFVSSAGcGS ASDKLAcLRS ASSDTLLDAT NNTPGFLAYS DATA SEQUENCE SLRLSYLPRP DGKNITDDMY KLVRDGKYAS VPVIIGDQND EGTIFGLSSL DATA SEQUENCE NVTTNAQARA YFKQSFIHAS DAEIDTLMAA YPQDITQGSP FDTGIFNAIT DATA SEQUENCE PQFKRISAVL GDLAFIHARR YFLNHFQGGT KYSFLSKQLS GLPIMGTFHA DATA SEQUENCE NDIVWQDYLL GSGSVIYNNA FIAFATDLDP NTAGLLVNWP KYTSSSQSGN DATA SEQUENCE NLMMINALGL YTGKDNFRTA GYDALMTNPS SFFV 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 A HA 0.000 4.304 4.320 -0.026 0.000 0.244 1 A C 0.000 177.588 177.584 0.007 0.000 1.274 1 A CA 0.000 52.029 52.037 -0.013 0.000 0.836 1 A CB 0.000 18.986 19.000 -0.024 0.000 0.831 2 P HA 0.113 4.594 4.420 0.102 0.000 0.268 2 P C -1.548 175.865 177.300 0.189 0.000 1.205 2 P CA -0.083 63.051 63.100 0.055 0.000 0.771 2 P CB 0.605 32.252 31.700 -0.088 0.000 0.858 3 T N -2.237 112.500 114.554 0.304 0.000 2.883 3 T HA 0.764 5.553 4.350 0.451 -0.169 0.296 3 T C -1.933 172.846 174.700 0.132 0.000 1.117 3 T CA -2.159 60.121 62.100 0.299 0.000 1.006 3 T CB 3.899 72.845 68.868 0.129 0.000 1.191 3 T HN -0.113 8.279 8.240 0.253 0.000 0.508 4 A N -1.343 121.415 122.820 -0.102 0.000 2.517 4 A HA 0.401 4.460 4.320 -0.434 0.000 0.297 4 A C -2.766 174.581 177.584 -0.395 0.000 1.050 4 A CA -0.642 51.077 52.037 -0.531 0.000 0.694 4 A CB 3.453 21.538 19.000 -1.526 0.000 1.277 4 A HN 0.477 8.637 8.150 0.016 0.000 0.400 5 K N 4.336 124.529 120.400 -0.345 0.000 2.211 5 K HA 0.810 5.250 4.320 -0.150 -0.210 0.275 5 K C -0.224 176.223 176.600 -0.255 0.000 1.024 5 K CA -1.253 54.906 56.287 -0.213 0.000 0.887 5 K CB 1.652 34.072 32.500 -0.132 0.000 1.084 5 K HN 0.349 8.386 8.250 -0.354 0.000 0.463 6 L N 4.055 125.184 121.223 -0.158 0.000 2.468 6 L HA 0.001 4.235 4.340 -0.177 0.000 0.254 6 L C 1.399 178.208 176.870 -0.103 0.000 1.171 6 L CA -0.492 54.273 54.840 -0.125 0.000 0.809 6 L CB 0.586 42.634 42.059 -0.018 0.000 1.155 6 L HN 0.556 8.723 8.230 -0.105 0.000 0.473 7 A N 2.003 124.750 122.820 -0.122 0.000 1.978 7 A HA -0.293 3.975 4.320 -0.087 0.000 0.220 7 A C 1.175 178.735 177.584 -0.039 0.000 1.170 7 A CA 2.927 54.912 52.037 -0.087 0.000 0.636 7 A CB -0.092 18.849 19.000 -0.099 0.000 0.810 7 A HN 0.447 8.826 8.150 -0.171 -0.331 0.448 8 N N -2.842 115.851 118.700 -0.011 0.000 2.461 8 N HA -0.050 4.698 4.740 0.012 0.000 0.188 8 N C 1.013 176.532 175.510 0.015 0.000 1.134 8 N CA -0.489 52.572 53.050 0.018 0.000 0.878 8 N CB -0.213 38.307 38.487 0.055 0.000 0.972 8 N HN -0.196 8.149 8.380 -0.011 0.028 0.456 9 G N -0.346 108.453 108.800 -0.002 0.000 2.213 9 G HA2 -0.438 3.512 3.960 -0.017 0.000 0.236 9 G HA3 -0.438 3.525 3.960 0.005 0.000 0.236 9 G C -0.731 174.176 174.900 0.011 0.000 0.991 9 G CA -0.147 44.952 45.100 -0.002 0.000 0.629 9 G HN -0.047 8.046 8.290 -0.018 0.187 0.517 10 D N 3.492 123.912 120.400 0.034 0.000 2.443 10 D HA -0.104 4.685 4.640 0.064 -0.110 0.239 10 D C -0.675 175.647 176.300 0.037 0.000 1.136 10 D CA 1.376 55.412 54.000 0.060 0.000 0.879 10 D CB 0.195 41.060 40.800 0.109 0.000 1.195 10 D HN -0.293 8.362 8.370 0.040 -0.261 0.443 11 T N 4.249 118.836 114.554 0.054 0.000 2.771 11 T HA 0.640 5.163 4.350 -0.000 -0.174 0.281 11 T C -0.721 174.050 174.700 0.118 0.000 0.982 11 T CA 0.184 62.311 62.100 0.045 0.000 0.978 11 T CB 0.844 69.732 68.868 0.034 0.000 0.930 11 T HN 0.388 9.022 8.240 0.066 -0.355 0.447 12 I N 2.304 122.960 120.570 0.145 0.000 2.797 12 I HA 0.873 5.353 4.170 0.323 -0.116 0.307 12 I C -1.887 174.452 176.117 0.369 0.000 1.033 12 I CA -2.807 58.684 61.300 0.318 0.000 1.071 12 I CB 3.775 42.040 38.000 0.442 0.000 1.255 12 I HN 0.928 9.176 8.210 0.063 0.000 0.445 13 T N 3.332 118.125 114.554 0.399 0.000 2.823 13 T HA 0.752 5.454 4.350 0.296 -0.174 0.279 13 T C -0.190 174.644 174.700 0.222 0.000 0.998 13 T CA -1.097 61.169 62.100 0.276 0.000 0.994 13 T CB 2.613 71.549 68.868 0.114 0.000 0.960 13 T HN -0.047 8.442 8.240 0.414 0.000 0.448 14 G N 3.569 112.257 108.800 -0.186 0.000 3.107 14 G HA2 0.790 4.737 3.960 -0.286 0.000 0.232 14 G HA3 0.790 3.895 3.960 -1.543 -0.071 0.232 14 G C -2.341 172.329 174.900 -0.384 0.000 1.339 14 G CA -1.694 43.035 45.100 -0.618 0.000 1.033 14 G HN 0.494 8.578 8.290 -0.167 0.106 0.567 15 L N -0.822 120.165 121.223 -0.393 0.000 2.313 15 L HA 0.290 4.528 4.340 -0.170 0.000 0.283 15 L C -1.573 175.184 176.870 -0.188 0.000 1.013 15 L CA -1.558 53.150 54.840 -0.219 0.000 0.816 15 L CB 3.261 45.222 42.059 -0.163 0.000 1.236 15 L HN 0.451 8.268 8.230 -0.506 0.109 0.419 16 N N 7.254 125.881 118.700 -0.120 0.000 2.439 16 N HA 0.003 4.695 4.740 -0.079 0.000 0.243 16 N C -0.268 175.207 175.510 -0.059 0.000 1.088 16 N CA -0.264 52.740 53.050 -0.077 0.000 0.940 16 N CB -0.299 38.159 38.487 -0.049 0.000 1.180 16 N HN 0.563 8.879 8.380 -0.108 0.000 0.505 17 A N 7.396 130.184 122.820 -0.054 0.000 2.337 17 A HA 0.092 4.386 4.320 -0.042 0.000 0.227 17 A C 0.199 177.767 177.584 -0.026 0.000 1.259 17 A CA -0.208 51.804 52.037 -0.041 0.000 0.870 17 A CB 0.116 19.091 19.000 -0.043 0.000 0.927 17 A HN 0.425 8.541 8.150 -0.057 0.000 0.497 18 I N -4.085 116.473 120.570 -0.020 0.000 4.407 18 I HA -0.498 3.737 4.170 -0.008 -0.069 0.066 18 I C 1.005 177.119 176.117 -0.005 0.000 0.591 18 I CA 2.761 64.054 61.300 -0.011 0.000 1.050 18 I CB -2.274 35.719 38.000 -0.012 0.000 0.939 18 I HN 0.183 8.565 8.210 -0.024 -0.186 0.169 19 I N -2.193 118.372 120.570 -0.008 0.000 3.428 19 I HA -0.138 4.032 4.170 -0.000 0.000 0.286 19 I C -0.960 175.158 176.117 0.002 0.000 1.287 19 I CA 1.197 62.494 61.300 -0.004 0.000 1.396 19 I CB 0.522 38.515 38.000 -0.011 0.000 1.062 19 I HN -0.067 8.062 8.210 -0.013 0.073 0.471 20 N N -4.068 114.633 118.700 0.002 0.000 3.227 20 N HA 0.065 4.884 4.740 0.032 -0.060 0.241 20 N C -2.401 173.115 175.510 0.010 0.000 1.480 20 N CA -0.885 52.176 53.050 0.018 0.000 0.886 20 N CB 2.264 40.762 38.487 0.018 0.000 1.406 20 N HN -0.884 7.447 8.380 -0.006 0.045 0.514 21 E N -2.016 118.207 120.200 0.039 0.000 2.176 21 E HA 0.701 5.197 4.350 -0.058 -0.181 0.267 21 E C -1.703 174.908 176.600 0.019 0.000 0.893 21 E CA -1.335 55.068 56.400 0.004 0.000 0.761 21 E CB 3.369 33.106 29.700 0.062 0.000 1.133 21 E HN 0.316 8.720 8.360 0.073 0.000 0.409 22 A N 3.833 126.570 122.820 -0.138 0.000 2.356 22 A HA 0.861 5.403 4.320 0.081 -0.173 0.310 22 A C -2.092 175.358 177.584 -0.222 0.000 1.075 22 A CA -1.864 50.128 52.037 -0.075 0.000 0.746 22 A CB 3.461 22.400 19.000 -0.102 0.000 1.221 22 A HN 0.753 8.765 8.150 -0.231 0.000 0.443 23 F N 2.583 122.574 119.950 0.068 0.000 2.366 23 F HA 0.594 5.402 4.527 0.174 -0.177 0.366 23 F C -1.320 174.482 175.800 0.003 0.000 1.096 23 F CA -1.886 56.191 58.000 0.130 0.000 1.060 23 F CB 1.096 40.269 39.000 0.288 0.000 1.282 23 F HN 0.801 9.331 8.300 0.385 0.000 0.450 24 L N 1.702 122.985 121.223 0.100 0.000 2.341 24 L HA 0.480 4.862 4.340 -0.153 -0.134 0.278 24 L C 0.687 177.599 176.870 0.071 0.000 1.005 24 L CA -0.973 53.806 54.840 -0.101 0.000 0.818 24 L CB 1.981 43.792 42.059 -0.412 0.000 1.259 24 L HN 0.099 8.303 8.230 0.151 0.117 0.418 25 G N 2.226 111.047 108.800 0.036 0.000 2.142 25 G HA2 -0.383 3.627 3.960 0.084 0.000 0.225 25 G HA3 -0.383 3.685 3.960 0.181 0.000 0.225 25 G C -0.362 174.605 174.900 0.112 0.000 1.015 25 G CA -0.047 45.126 45.100 0.121 0.000 0.716 25 G HN 0.296 8.839 8.290 -0.019 -0.265 0.508 26 I N 2.202 122.669 120.570 -0.171 0.000 2.436 26 I HA 0.137 3.847 4.170 -0.766 0.000 0.289 26 I C -1.524 174.381 176.117 -0.355 0.000 1.083 26 I CA -2.031 58.966 61.300 -0.505 0.000 1.372 26 I CB 0.373 37.995 38.000 -0.630 0.000 1.408 26 I HN -0.498 7.609 8.210 -0.172 0.000 0.516 27 P HA 0.117 4.518 4.420 -0.320 -0.172 0.271 27 P C -0.875 176.174 177.300 -0.420 0.000 1.216 27 P CA -0.354 62.483 63.100 -0.439 0.000 0.771 27 P CB 0.217 31.498 31.700 -0.698 0.000 0.864 28 F N -2.229 117.517 119.950 -0.339 0.000 2.767 28 F HA 0.302 4.745 4.527 -0.141 0.000 0.323 28 F C -2.018 173.818 175.800 0.059 0.000 1.091 28 F CA -1.490 56.383 58.000 -0.211 0.000 1.192 28 F CB 1.753 40.483 39.000 -0.449 0.000 1.056 28 F HN -0.026 7.978 8.300 -0.495 0.000 0.571 29 A N -0.689 121.931 122.820 -0.334 0.000 2.515 29 A HA 0.416 4.972 4.320 0.053 -0.205 0.296 29 A C -1.305 176.308 177.584 0.049 0.000 1.094 29 A CA -1.497 50.454 52.037 -0.143 0.000 0.718 29 A CB 2.741 21.514 19.000 -0.378 0.000 1.307 29 A HN -0.945 6.905 8.150 -0.500 0.000 0.408 30 E N 0.401 120.648 120.200 0.079 0.000 2.413 30 E HA 0.059 4.497 4.350 0.147 0.000 0.263 30 E C -1.362 175.243 176.600 0.009 0.000 1.015 30 E CA -1.979 54.463 56.400 0.070 0.000 0.916 30 E CB -0.413 29.299 29.700 0.019 0.000 0.947 30 E HN 0.030 8.430 8.360 0.065 0.000 0.440 31 P HA 0.025 4.417 4.420 -0.045 0.000 0.260 31 P C -1.465 175.819 177.300 -0.026 0.000 1.185 31 P CA -0.525 62.565 63.100 -0.017 0.000 0.763 31 P CB -0.264 31.439 31.700 0.005 0.000 0.776 32 P HA 0.056 4.457 4.420 -0.032 0.000 0.218 32 P C -1.807 175.464 177.300 -0.049 0.000 1.793 32 P CA -0.724 62.350 63.100 -0.042 0.000 0.941 32 P CB -1.452 30.221 31.700 -0.045 0.000 1.919 33 V N -4.192 115.702 119.914 -0.033 0.000 2.966 33 V HA 0.281 4.385 4.120 -0.028 0.000 0.317 33 V C 0.759 176.841 176.094 -0.021 0.000 1.070 33 V CA -2.717 59.568 62.300 -0.024 0.000 1.008 33 V CB 1.958 33.776 31.823 -0.009 0.000 1.070 33 V HN -0.480 7.612 8.190 -0.024 0.083 0.457 34 G N 2.246 111.041 108.800 -0.009 0.000 2.622 34 G HA2 -0.554 3.548 3.960 0.017 0.000 0.307 34 G HA3 -0.554 3.413 3.960 0.011 0.000 0.307 34 G C 0.647 175.547 174.900 -0.000 0.000 1.226 34 G CA 1.648 46.751 45.100 0.005 0.000 0.997 34 G HN 0.516 8.805 8.290 -0.001 0.000 0.551 35 N N 3.614 122.324 118.700 0.017 0.000 2.609 35 N HA -0.152 4.617 4.740 0.047 0.000 0.190 35 N C 0.588 176.112 175.510 0.024 0.000 1.157 35 N CA 1.773 54.842 53.050 0.032 0.000 0.918 35 N CB -0.201 38.307 38.487 0.036 0.000 0.978 35 N HN 0.189 8.580 8.380 0.018 0.000 0.448 36 L N -2.408 118.814 121.223 -0.002 0.000 2.607 36 L HA 0.058 4.407 4.340 0.016 0.000 0.228 36 L C -0.391 176.444 176.870 -0.057 0.000 1.123 36 L CA -0.660 54.175 54.840 -0.008 0.000 0.890 36 L CB -0.401 41.654 42.059 -0.005 0.000 1.103 36 L HN -0.247 7.914 8.230 -0.009 0.064 0.468 37 R N -0.431 119.979 120.500 -0.150 0.000 2.640 37 R HA -0.225 4.006 4.340 -0.367 -0.111 0.270 37 R C 0.528 176.596 176.300 -0.388 0.000 1.024 37 R CA 1.913 57.744 56.100 -0.449 0.000 1.085 37 R CB -0.013 29.807 30.300 -0.801 0.000 0.963 37 R HN -0.621 7.425 8.270 -0.115 0.155 0.426 38 F N -5.979 114.026 119.950 0.091 0.000 2.778 38 F HA -0.438 4.112 4.527 0.038 0.000 0.399 38 F C -0.505 175.317 175.800 0.035 0.000 0.604 38 F CA 2.160 60.191 58.000 0.053 0.000 1.106 38 F CB -2.757 36.278 39.000 0.057 0.000 1.643 38 F HN 0.787 8.826 8.300 -0.434 0.000 0.290 39 K N -2.097 118.383 120.400 0.134 0.000 2.107 39 K HA -0.014 4.378 4.320 0.119 0.000 0.251 39 K C -0.111 176.536 176.600 0.079 0.000 1.012 39 K CA -1.111 55.238 56.287 0.104 0.000 0.920 39 K CB 1.002 33.549 32.500 0.080 0.000 1.033 39 K HN -0.915 7.263 8.250 0.075 0.117 0.478 40 D N 1.575 122.024 120.400 0.082 0.000 2.548 40 D HA -0.131 4.564 4.640 0.092 0.000 0.231 40 D C -1.273 175.071 176.300 0.072 0.000 1.142 40 D CA -0.216 53.836 54.000 0.086 0.000 0.866 40 D CB -0.839 40.020 40.800 0.099 0.000 1.190 40 D HN 0.264 8.685 8.370 0.084 0.000 0.469 41 P HA -0.020 4.419 4.420 0.032 0.000 0.271 41 P C -1.286 176.058 177.300 0.074 0.000 1.216 41 P CA -0.257 62.879 63.100 0.059 0.000 0.776 41 P CB 0.749 32.495 31.700 0.077 0.000 0.881 42 V N 3.422 123.369 119.914 0.055 0.000 2.407 42 V HA 0.283 4.451 4.120 0.079 0.000 0.278 42 V C -1.559 174.590 176.094 0.092 0.000 1.037 42 V CA -3.486 58.855 62.300 0.067 0.000 0.900 42 V CB 0.907 32.757 31.823 0.044 0.000 0.983 42 V HN -0.151 8.058 8.190 0.033 0.000 0.459 43 P HA -0.170 4.389 4.420 0.232 0.000 0.264 43 P C -1.380 176.032 177.300 0.187 0.000 1.183 43 P CA -0.149 63.063 63.100 0.187 0.000 0.763 43 P CB 0.292 32.102 31.700 0.184 0.000 0.807 44 Y N 5.582 125.949 120.300 0.111 0.000 2.620 44 Y HA -0.272 4.500 4.550 0.050 -0.192 0.330 44 Y C 1.212 177.175 175.900 0.103 0.000 1.186 44 Y CA 1.153 59.305 58.100 0.087 0.000 1.467 44 Y CB 0.958 39.479 38.460 0.101 0.000 1.262 44 Y HN -0.461 8.051 8.280 0.387 0.000 0.550 45 S N 8.356 123.819 115.700 -0.395 0.000 2.511 45 S HA 0.021 4.454 4.470 -0.062 0.000 0.214 45 S C 0.203 174.642 174.600 -0.268 0.000 0.997 45 S CA 0.466 58.533 58.200 -0.221 0.000 0.908 45 S CB 1.896 65.003 63.200 -0.154 0.000 0.803 45 S HN 0.524 8.766 8.310 -0.634 -0.312 0.504 46 G N 2.508 110.917 108.800 -0.652 0.000 2.588 46 G HA2 0.015 3.894 3.960 -0.135 0.000 0.281 46 G HA3 0.015 3.808 3.960 -0.277 0.000 0.281 46 G C -1.650 173.342 174.900 0.153 0.000 1.236 46 G CA -0.709 44.256 45.100 -0.226 0.000 0.969 46 G HN -0.310 7.093 8.290 -1.479 0.000 0.504 47 S N -1.516 114.290 115.700 0.178 0.000 2.508 47 S HA -0.024 4.701 4.470 0.218 -0.124 0.284 47 S C 0.722 175.490 174.600 0.281 0.000 1.192 47 S CA -0.508 57.817 58.200 0.209 0.000 1.070 47 S CB 0.874 64.152 63.200 0.131 0.000 1.004 47 S HN -0.098 8.286 8.310 0.123 0.000 0.493 48 L N 5.134 126.528 121.223 0.285 0.000 2.857 48 L HA 0.283 5.020 4.340 0.337 -0.195 0.249 48 L C -0.423 176.605 176.870 0.264 0.000 1.172 48 L CA -1.272 53.761 54.840 0.321 0.000 0.980 48 L CB -0.031 42.242 42.059 0.357 0.000 1.299 48 L HN 0.667 9.464 8.230 0.259 -0.412 0.535 49 N N 0.114 118.925 118.700 0.184 0.000 2.412 49 N HA -0.373 4.575 4.740 0.145 -0.121 0.258 49 N C 1.526 177.111 175.510 0.125 0.000 1.236 49 N CA 1.790 54.924 53.050 0.140 0.000 0.882 49 N CB 0.320 38.865 38.487 0.098 0.000 1.066 49 N HN -0.635 7.777 8.380 0.173 0.071 0.465 50 G N 5.828 114.699 108.800 0.119 0.000 2.179 50 G HA2 -0.534 3.472 3.960 0.076 0.000 0.260 50 G HA3 -0.534 3.466 3.960 0.066 0.000 0.260 50 G C -0.742 174.199 174.900 0.069 0.000 0.977 50 G CA 0.085 45.235 45.100 0.083 0.000 0.641 50 G HN 0.721 9.089 8.290 0.130 0.000 0.533 51 Q N 0.205 120.069 119.800 0.106 0.000 2.312 51 Q HA 0.059 4.344 4.340 -0.091 0.000 0.236 51 Q C -0.814 175.108 176.000 -0.130 0.000 0.965 51 Q CA -0.410 55.366 55.803 -0.045 0.000 0.894 51 Q CB 1.573 30.283 28.738 -0.047 0.000 1.225 51 Q HN -0.338 7.965 8.270 0.180 0.075 0.478 52 K N -0.493 119.661 120.400 -0.410 0.000 2.182 52 K HA 0.456 4.879 4.320 -0.094 -0.160 0.262 52 K C -0.374 175.804 176.600 -0.704 0.000 0.957 52 K CA -0.946 55.142 56.287 -0.331 0.000 0.842 52 K CB 1.811 34.197 32.500 -0.190 0.000 1.099 52 K HN 0.124 8.103 8.250 -0.452 0.000 0.438 53 F N 3.553 123.528 119.950 0.041 0.000 2.686 53 F HA 0.289 4.822 4.527 0.011 0.000 0.365 53 F C -0.277 175.492 175.800 -0.052 0.000 1.196 53 F CA -0.749 57.269 58.000 0.030 0.000 1.198 53 F CB 0.878 39.960 39.000 0.136 0.000 1.454 53 F HN 0.479 8.844 8.300 0.109 0.000 0.539 54 T N -1.756 112.789 114.554 -0.015 0.000 3.043 54 T HA 0.189 4.483 4.350 -0.094 0.000 0.272 54 T C -0.670 173.975 174.700 -0.092 0.000 0.990 54 T CA -0.806 61.249 62.100 -0.075 0.000 0.897 54 T CB 1.178 69.993 68.868 -0.087 0.000 1.111 54 T HN 0.249 8.458 8.240 -0.051 0.000 0.529 55 S N 1.301 116.954 115.700 -0.079 0.000 2.556 55 S HA 0.111 4.513 4.470 -0.114 0.000 0.271 55 S C -2.015 172.540 174.600 -0.075 0.000 1.135 55 S CA -0.636 57.517 58.200 -0.078 0.000 0.858 55 S CB 1.495 64.683 63.200 -0.020 0.000 1.114 55 S HN -0.719 7.563 8.310 -0.047 0.000 0.468 56 Y N 0.466 120.768 120.300 0.004 0.000 2.497 56 Y HA -0.100 4.467 4.550 0.028 0.000 0.334 56 Y C 1.561 177.460 175.900 -0.002 0.000 1.199 56 Y CA 1.447 59.550 58.100 0.005 0.000 1.425 56 Y CB 0.554 39.001 38.460 -0.021 0.000 1.291 56 Y HN 0.056 8.407 8.280 0.118 0.000 0.562 57 G N 2.977 111.874 108.800 0.162 0.000 2.621 57 G HA2 0.068 4.065 3.960 0.063 0.000 0.271 57 G HA3 0.068 4.071 3.960 0.072 0.000 0.271 57 G C -2.002 172.932 174.900 0.056 0.000 1.236 57 G CA -1.323 43.829 45.100 0.086 0.000 0.958 57 G HN 0.186 8.580 8.290 0.173 0.000 0.512 58 P HA -0.115 4.373 4.420 -0.040 -0.093 0.270 58 P C -0.604 176.664 177.300 -0.053 0.000 1.223 58 P CA -0.374 62.706 63.100 -0.032 0.000 0.785 58 P CB 1.077 32.752 31.700 -0.042 0.000 0.923 59 S N -0.414 115.231 115.700 -0.092 0.000 2.589 59 S HA -0.101 4.288 4.470 -0.134 0.000 0.265 59 S C 0.336 174.862 174.600 -0.124 0.000 1.342 59 S CA -0.260 57.864 58.200 -0.126 0.000 1.005 59 S CB 0.921 64.032 63.200 -0.148 0.000 0.909 59 S HN -0.011 8.242 8.310 -0.094 0.000 0.555 60 c N 0.728 119.251 118.600 -0.128 0.000 2.705 60 c HA 0.031 4.694 4.570 -0.198 -0.211 0.365 60 c C 1.113 175.040 174.090 -0.271 0.000 1.353 60 c CA 0.593 56.814 56.329 -0.179 0.000 2.339 60 c CB 0.587 43.031 42.510 -0.109 0.000 2.576 60 c HN 0.278 8.439 8.230 -0.114 0.000 0.716 61 M N 0.478 119.752 119.600 -0.544 0.000 2.250 61 M HA -0.231 4.111 4.480 -0.468 -0.143 0.337 61 M C -0.007 176.028 176.300 -0.442 0.000 1.161 61 M CA 0.111 54.971 55.300 -0.735 0.000 1.088 61 M CB -0.586 30.975 32.600 -1.730 0.000 1.639 61 M HN 0.125 8.026 8.290 -0.650 0.000 0.447 62 Q N 0.475 120.175 119.800 -0.167 0.000 2.316 62 Q HA 0.279 4.684 4.340 0.108 0.000 0.264 62 Q C -0.780 175.334 176.000 0.191 0.000 0.987 62 Q CA -1.433 54.409 55.803 0.065 0.000 0.852 62 Q CB 1.794 30.590 28.738 0.095 0.000 1.287 62 Q HN -0.054 8.411 8.270 -0.168 -0.296 0.448 63 Q N 4.615 124.595 119.800 0.299 0.000 2.288 63 Q HA -0.212 4.433 4.340 0.325 -0.110 0.254 63 Q C 0.019 176.132 176.000 0.189 0.000 0.932 63 Q CA 0.053 56.036 55.803 0.301 0.000 0.902 63 Q CB 1.337 30.282 28.738 0.345 0.000 1.203 63 Q HN -0.050 8.411 8.270 0.317 0.000 0.415 64 N N 7.634 126.408 118.700 0.124 0.000 2.374 64 N HA -0.043 4.697 4.740 0.000 0.000 0.269 64 N C -0.160 175.346 175.510 -0.007 0.000 1.310 64 N CA -0.418 52.652 53.050 0.033 0.000 0.877 64 N CB 0.183 38.679 38.487 0.015 0.000 1.096 64 N HN -0.015 8.770 8.380 0.143 -0.319 0.484 65 P HA -0.181 3.949 4.420 -0.484 0.000 0.218 65 P C -0.079 177.048 177.300 -0.288 0.000 1.146 65 P CA 1.987 64.842 63.100 -0.409 0.000 0.813 65 P CB 0.322 31.639 31.700 -0.638 0.000 0.778 66 E N -5.775 114.332 120.200 -0.155 0.000 2.465 66 E HA 0.055 4.343 4.350 -0.104 0.000 0.195 66 E C 0.030 176.597 176.600 -0.056 0.000 1.028 66 E CA -0.725 55.615 56.400 -0.100 0.000 0.899 66 E CB 0.303 29.948 29.700 -0.090 0.000 1.032 66 E HN -0.290 8.256 8.360 -0.133 -0.266 0.468 67 G N 0.032 108.820 108.800 -0.021 0.000 2.562 67 G HA2 -0.167 3.851 3.960 0.014 0.000 0.233 67 G HA3 -0.167 3.832 3.960 0.065 0.000 0.233 67 G C -1.233 173.662 174.900 -0.009 0.000 1.266 67 G CA 0.898 46.010 45.100 0.019 0.000 0.852 67 G HN -0.218 7.857 8.290 -0.024 0.200 0.581 68 T N 0.799 115.336 114.554 -0.028 0.000 2.774 68 T HA 0.149 4.421 4.350 -0.116 0.008 0.325 68 T C -1.024 173.606 174.700 -0.117 0.000 1.753 68 T CA -0.838 61.167 62.100 -0.159 0.000 1.024 68 T CB 1.261 69.947 68.868 -0.303 0.000 1.628 68 T HN -0.181 8.061 8.240 0.003 0.000 0.497 69 F N -1.209 118.776 119.950 0.058 0.000 2.748 69 F HA 0.457 5.269 4.527 0.041 -0.260 0.299 69 F C -0.136 175.681 175.800 0.028 0.000 1.154 69 F CA -0.777 57.248 58.000 0.042 0.000 1.446 69 F CB -0.190 38.834 39.000 0.039 0.000 1.112 69 F HN 0.357 8.246 8.300 -0.685 0.000 0.584 70 E N 0.806 120.857 120.200 -0.248 0.000 2.345 70 E HA 0.027 4.381 4.350 0.007 0.000 0.259 70 E C -1.287 175.271 176.600 -0.071 0.000 1.117 70 E CA -0.695 55.629 56.400 -0.126 0.000 0.913 70 E CB 0.948 30.510 29.700 -0.229 0.000 1.057 70 E HN -0.733 7.214 8.360 -0.591 0.058 0.432 71 E N -0.162 120.014 120.200 -0.040 0.000 2.183 71 E HA 0.182 4.510 4.350 -0.036 0.000 0.271 71 E C -0.867 175.703 176.600 -0.050 0.000 0.919 71 E CA -1.325 55.054 56.400 -0.035 0.000 0.781 71 E CB 0.958 30.649 29.700 -0.014 0.000 1.140 71 E HN 0.241 8.584 8.360 -0.029 0.000 0.402 72 N N 0.803 119.473 118.700 -0.051 0.000 2.961 72 N HA 0.057 4.768 4.740 -0.049 0.000 0.245 72 N C -0.311 175.171 175.510 -0.048 0.000 1.404 72 N CA -0.470 52.548 53.050 -0.053 0.000 0.880 72 N CB 1.054 39.501 38.487 -0.066 0.000 1.461 72 N HN -0.143 8.208 8.380 -0.047 0.000 0.510 73 L N -1.345 119.850 121.223 -0.047 0.000 2.201 73 L HA -0.130 4.186 4.340 -0.040 0.000 0.212 73 L C 1.407 178.248 176.870 -0.048 0.000 1.105 73 L CA 2.489 57.302 54.840 -0.044 0.000 0.775 73 L CB -0.461 41.573 42.059 -0.042 0.000 0.913 73 L HN 0.516 8.717 8.230 -0.048 0.000 0.440 74 G N -0.909 107.860 108.800 -0.052 0.000 2.394 74 G HA2 -0.354 3.572 3.960 -0.056 0.000 0.215 74 G HA3 -0.354 3.714 3.960 -0.057 -0.142 0.215 74 G C 0.441 175.305 174.900 -0.060 0.000 1.165 74 G CA 1.684 46.750 45.100 -0.056 0.000 0.784 74 G HN -0.151 8.219 8.290 -0.053 -0.111 0.535 75 K N 2.260 122.625 120.400 -0.057 0.000 2.063 75 K HA -0.352 3.934 4.320 -0.057 0.000 0.208 75 K C 1.979 178.551 176.600 -0.048 0.000 1.048 75 K CA 3.245 59.500 56.287 -0.053 0.000 0.928 75 K CB -0.073 32.398 32.500 -0.048 0.000 0.713 75 K HN -0.067 8.504 8.250 -0.057 -0.354 0.442 76 T N 0.967 115.495 114.554 -0.044 0.000 2.708 76 T HA -0.301 4.027 4.350 -0.036 0.000 0.266 76 T C 1.698 176.369 174.700 -0.049 0.000 1.037 76 T CA 4.566 66.641 62.100 -0.041 0.000 1.146 76 T CB -0.313 68.534 68.868 -0.035 0.000 0.865 76 T HN -0.597 7.616 8.240 -0.044 0.000 0.435 77 A N 1.659 124.448 122.820 -0.052 0.000 1.883 77 A HA -0.241 4.048 4.320 -0.052 0.000 0.217 77 A C 2.141 179.680 177.584 -0.074 0.000 1.186 77 A CA 3.248 55.250 52.037 -0.057 0.000 0.624 77 A CB -0.889 18.078 19.000 -0.054 0.000 0.822 77 A HN 0.045 8.165 8.150 -0.051 0.000 0.444 78 L N -3.072 118.101 121.223 -0.083 0.000 2.156 78 L HA -0.418 3.849 4.340 -0.121 0.000 0.208 78 L C 2.074 178.861 176.870 -0.139 0.000 1.095 78 L CA 2.771 57.543 54.840 -0.113 0.000 0.770 78 L CB -0.571 41.423 42.059 -0.108 0.000 0.914 78 L HN -0.234 7.951 8.230 -0.075 0.000 0.439 79 D N 0.582 120.923 120.400 -0.099 0.000 2.097 79 D HA -0.268 4.308 4.640 -0.107 0.000 0.195 79 D C 2.737 178.972 176.300 -0.107 0.000 0.989 79 D CA 3.831 57.776 54.000 -0.093 0.000 0.827 79 D CB -0.062 40.708 40.800 -0.050 0.000 0.966 79 D HN -0.464 7.858 8.370 -0.079 0.000 0.456 80 L N -1.382 119.790 121.223 -0.084 0.000 2.083 80 L HA -0.344 3.959 4.340 -0.062 0.000 0.209 80 L C 2.395 179.206 176.870 -0.099 0.000 1.083 80 L CA 2.843 57.639 54.840 -0.073 0.000 0.752 80 L CB -0.056 41.973 42.059 -0.049 0.000 0.899 80 L HN -0.283 7.903 8.230 -0.074 0.000 0.433 81 V N -0.796 119.038 119.914 -0.133 0.000 2.261 81 V HA -0.506 3.560 4.120 -0.090 0.000 0.246 81 V C 2.190 178.058 176.094 -0.376 0.000 1.047 81 V CA 4.085 66.283 62.300 -0.169 0.000 1.015 81 V CB -0.612 31.120 31.823 -0.152 0.000 0.642 81 V HN -0.511 7.604 8.190 -0.125 0.000 0.446 82 M N -3.941 115.312 119.600 -0.579 0.000 2.460 82 M HA -0.354 2.833 4.480 -2.154 0.000 0.263 82 M C 1.116 177.166 176.300 -0.417 0.000 1.071 82 M CA 3.150 57.852 55.300 -0.997 0.000 1.096 82 M CB -0.277 31.910 32.600 -0.689 0.000 1.408 82 M HN -0.104 7.931 8.290 -0.425 0.000 0.463 83 Q N -6.520 113.162 119.800 -0.198 0.000 2.384 83 Q HA 0.125 4.442 4.340 -0.037 0.000 0.207 83 Q C 0.290 176.286 176.000 -0.006 0.000 0.904 83 Q CA -0.858 54.907 55.803 -0.062 0.000 0.933 83 Q CB 0.572 29.282 28.738 -0.046 0.000 1.077 83 Q HN -0.591 7.499 8.270 -0.205 0.056 0.522 84 S N 0.711 116.409 115.700 -0.003 0.000 2.573 84 S HA -0.096 4.386 4.470 0.021 0.000 0.277 84 S C 0.877 175.525 174.600 0.080 0.000 1.346 84 S CA 0.918 59.142 58.200 0.040 0.000 1.034 84 S CB 1.681 64.909 63.200 0.046 0.000 0.879 84 S HN -0.619 7.500 8.310 -0.051 0.161 0.528 85 K N 1.661 122.093 120.400 0.054 0.000 2.147 85 K HA -0.275 4.076 4.320 0.053 0.000 0.205 85 K C 2.048 178.683 176.600 0.058 0.000 1.049 85 K CA 3.312 59.629 56.287 0.050 0.000 0.936 85 K CB -0.374 32.143 32.500 0.027 0.000 0.722 85 K HN 0.564 8.837 8.250 0.038 0.000 0.446 86 V N 0.096 120.047 119.914 0.063 0.000 2.295 86 V HA -0.347 3.787 4.120 0.023 0.000 0.246 86 V C 0.975 177.114 176.094 0.074 0.000 1.049 86 V CA 3.133 65.464 62.300 0.051 0.000 1.024 86 V CB -0.525 31.324 31.823 0.042 0.000 0.648 86 V HN -0.419 7.787 8.190 0.060 0.020 0.447 87 F N 0.504 120.438 119.950 -0.026 0.000 2.095 87 F HA -0.522 3.984 4.527 -0.035 0.000 0.298 87 F C 1.582 177.363 175.800 -0.031 0.000 1.104 87 F CA 4.015 61.997 58.000 -0.030 0.000 1.232 87 F CB 0.206 39.189 39.000 -0.028 0.000 0.987 87 F HN -0.675 7.774 8.300 0.248 0.000 0.475 88 Q N -2.601 117.347 119.800 0.246 0.000 2.291 88 Q HA -0.403 4.042 4.340 0.175 0.000 0.206 88 Q C 2.161 178.166 176.000 0.008 0.000 0.976 88 Q CA 2.709 58.591 55.803 0.133 0.000 0.875 88 Q CB -0.117 28.690 28.738 0.115 0.000 0.927 88 Q HN -0.183 8.253 8.270 0.277 0.000 0.450 89 A N -1.166 121.647 122.820 -0.012 0.000 1.970 89 A HA -0.149 4.155 4.320 -0.027 0.000 0.216 89 A C 1.230 178.765 177.584 -0.081 0.000 1.170 89 A CA 2.482 54.496 52.037 -0.037 0.000 0.645 89 A CB -0.268 18.718 19.000 -0.023 0.000 0.816 89 A HN -0.349 7.679 8.150 0.011 0.128 0.447 90 V N -2.749 117.081 119.914 -0.140 0.000 2.446 90 V HA -0.153 3.887 4.120 -0.135 0.000 0.244 90 V C 0.759 176.702 176.094 -0.252 0.000 1.039 90 V CA 2.824 65.011 62.300 -0.188 0.000 1.045 90 V CB 0.885 32.574 31.823 -0.223 0.000 0.681 90 V HN -0.650 7.453 8.190 -0.144 0.000 0.459 91 L N -2.528 118.469 121.223 -0.376 0.000 2.637 91 L HA 0.517 4.685 4.340 -0.288 0.000 0.241 91 L C -2.303 174.434 176.870 -0.223 0.000 1.398 91 L CA -2.613 51.993 54.840 -0.391 0.000 0.895 91 L CB -0.345 41.300 42.059 -0.691 0.000 1.183 91 L HN -0.259 7.719 8.230 -0.421 0.000 0.497 92 P HA 0.124 4.610 4.420 -0.017 -0.075 0.272 92 P C -1.463 175.809 177.300 -0.048 0.000 1.223 92 P CA -0.312 62.758 63.100 -0.050 0.000 0.784 92 P CB 0.578 32.254 31.700 -0.040 0.000 0.923 93 Q N -1.283 118.499 119.800 -0.029 0.000 2.433 93 Q HA 0.669 5.133 4.340 -0.083 -0.174 0.279 93 Q C -1.505 174.442 176.000 -0.088 0.000 1.105 93 Q CA -1.740 54.023 55.803 -0.068 0.000 0.815 93 Q CB 4.420 33.118 28.738 -0.066 0.000 1.403 93 Q HN 0.048 8.312 8.270 -0.010 0.000 0.435 94 S N -0.231 115.389 115.700 -0.134 0.000 2.552 94 S HA 0.325 4.719 4.470 -0.126 0.000 0.272 94 S C -0.589 173.891 174.600 -0.200 0.000 1.150 94 S CA -0.739 57.380 58.200 -0.135 0.000 0.849 94 S CB 2.390 65.543 63.200 -0.079 0.000 1.113 94 S HN 0.299 8.516 8.310 -0.155 0.000 0.458 95 E N 3.272 123.351 120.200 -0.201 0.000 2.204 95 E HA -0.290 3.878 4.350 -0.304 0.000 0.194 95 E C -0.344 176.183 176.600 -0.122 0.000 0.989 95 E CA 2.234 58.511 56.400 -0.205 0.000 0.824 95 E CB 0.289 29.911 29.700 -0.130 0.000 0.756 95 E HN 0.483 8.745 8.360 -0.164 0.000 0.477 96 D N -0.210 120.138 120.400 -0.087 0.000 2.551 96 D HA 0.006 4.608 4.640 -0.064 0.000 0.223 96 D C -0.122 176.136 176.300 -0.071 0.000 1.144 96 D CA -0.356 53.606 54.000 -0.064 0.000 1.025 96 D CB -1.319 39.461 40.800 -0.034 0.000 1.085 96 D HN -0.593 7.709 8.370 -0.082 0.019 0.506 97 c N -1.021 117.526 118.600 -0.089 0.000 3.657 97 c HA 0.259 4.795 4.570 -0.057 0.000 0.291 97 c C -0.279 173.765 174.090 -0.076 0.000 1.572 97 c CA -2.367 53.918 56.329 -0.073 0.000 1.818 97 c CB 0.571 43.032 42.510 -0.082 0.000 2.903 97 c HN -0.482 7.689 8.230 -0.099 0.000 0.632 98 L N 4.304 125.421 121.223 -0.177 0.000 2.387 98 L HA 0.261 4.502 4.340 -0.165 0.000 0.267 98 L C -1.179 175.446 176.870 -0.409 0.000 1.197 98 L CA -0.359 54.256 54.840 -0.375 0.000 1.070 98 L CB -1.394 40.256 42.059 -0.681 0.000 1.349 98 L HN 0.003 8.123 8.230 -0.183 0.000 0.422 99 T N -0.773 113.784 114.554 0.006 0.000 2.932 99 T HA 0.837 5.386 4.350 0.006 -0.195 0.289 99 T C -1.665 173.168 174.700 0.222 0.000 1.039 99 T CA -2.823 59.327 62.100 0.084 0.000 1.024 99 T CB 3.160 72.046 68.868 0.031 0.000 1.090 99 T HN -0.133 8.117 8.240 0.083 0.039 0.496 100 I N -0.266 120.283 120.570 -0.034 0.000 2.828 100 I HA 0.536 4.795 4.170 -0.089 -0.143 0.302 100 I C -2.900 173.088 176.117 -0.216 0.000 1.101 100 I CA -2.345 58.818 61.300 -0.229 0.000 1.031 100 I CB 4.049 41.635 38.000 -0.690 0.000 1.231 100 I HN 0.411 8.540 8.210 -0.136 0.000 0.427 101 N N 5.637 124.275 118.700 -0.104 0.000 2.352 101 N HA 0.653 5.539 4.740 -0.061 -0.182 0.291 101 N C -1.560 173.953 175.510 0.004 0.000 1.040 101 N CA -0.947 52.090 53.050 -0.020 0.000 0.864 101 N CB 3.707 42.266 38.487 0.121 0.000 1.440 101 N HN -0.182 8.150 8.380 -0.081 0.000 0.483 102 V N 4.863 124.779 119.914 0.004 0.000 2.409 102 V HA 0.433 4.701 4.120 0.019 -0.137 0.291 102 V C -1.926 174.277 176.094 0.183 0.000 1.020 102 V CA -1.412 60.893 62.300 0.008 0.000 0.848 102 V CB 1.328 32.952 31.823 -0.332 0.000 0.990 102 V HN 0.920 9.133 8.190 0.039 0.000 0.430 103 V N 8.612 128.636 119.914 0.185 0.000 2.444 103 V HA 0.717 5.148 4.120 0.189 -0.198 0.294 103 V C -1.640 174.564 176.094 0.182 0.000 1.022 103 V CA -1.604 60.799 62.300 0.173 0.000 0.850 103 V CB 1.666 33.545 31.823 0.094 0.000 0.992 103 V HN 0.902 9.206 8.190 0.191 0.000 0.426 104 R N 5.179 125.795 120.500 0.193 0.000 2.892 104 R HA 0.658 5.093 4.340 0.157 0.000 0.265 104 R C -3.011 173.366 176.300 0.128 0.000 1.025 104 R CA -3.725 52.480 56.100 0.175 0.000 0.982 104 R CB 0.774 31.211 30.300 0.228 0.000 1.185 104 R HN 0.874 9.268 8.270 0.207 0.000 0.484 105 P HA 0.201 4.659 4.420 0.063 0.000 0.268 105 P C -1.638 175.708 177.300 0.077 0.000 1.208 105 P CA -1.210 61.936 63.100 0.076 0.000 0.777 105 P CB -0.753 30.986 31.700 0.066 0.000 0.875 106 P HA -0.391 4.178 4.420 0.050 -0.119 0.264 106 P C -0.203 177.129 177.300 0.052 0.000 1.183 106 P CA 1.304 64.433 63.100 0.048 0.000 0.763 106 P CB -0.391 31.327 31.700 0.030 0.000 0.807 107 G N 5.469 114.303 108.800 0.057 0.000 2.179 107 G HA2 -0.408 3.582 3.960 0.050 0.000 0.260 107 G HA3 -0.408 3.578 3.960 0.043 0.000 0.260 107 G C 0.155 175.093 174.900 0.063 0.000 0.977 107 G CA 0.199 45.330 45.100 0.053 0.000 0.641 107 G HN 0.376 9.045 8.290 0.060 -0.343 0.533 108 T N 1.429 116.032 114.554 0.082 0.000 2.902 108 T HA -0.165 4.227 4.350 0.070 0.000 0.301 108 T C -0.725 174.028 174.700 0.089 0.000 1.012 108 T CA 1.853 64.006 62.100 0.088 0.000 1.151 108 T CB 0.542 69.479 68.868 0.114 0.000 0.946 108 T HN -0.729 7.490 8.240 0.090 0.075 0.542 109 K N 4.792 125.230 120.400 0.063 0.000 2.281 109 K HA 0.184 4.535 4.320 0.053 0.000 0.242 109 K C -0.538 176.081 176.600 0.031 0.000 0.971 109 K CA -2.020 54.295 56.287 0.045 0.000 0.834 109 K CB 2.341 34.860 32.500 0.030 0.000 1.181 109 K HN -0.079 8.205 8.250 0.056 0.000 0.435 110 A N 0.856 123.677 122.820 0.001 0.000 2.598 110 A HA -0.333 4.104 4.320 -0.020 -0.130 0.239 110 A C 1.073 178.655 177.584 -0.005 0.000 1.032 110 A CA 1.840 53.865 52.037 -0.021 0.000 0.760 110 A CB -0.403 18.564 19.000 -0.055 0.000 0.946 110 A HN 0.455 8.601 8.150 -0.007 0.000 0.512 111 G N 2.676 111.476 108.800 -0.000 0.000 2.232 111 G HA2 -0.398 3.560 3.960 -0.002 0.000 0.226 111 G HA3 -0.398 3.561 3.960 -0.001 0.000 0.226 111 G C 0.486 175.393 174.900 0.011 0.000 0.996 111 G CA -0.160 44.941 45.100 0.002 0.000 0.626 111 G HN -0.021 8.270 8.290 0.002 0.000 0.509 112 A N 0.438 123.271 122.820 0.022 0.000 2.019 112 A HA -0.191 4.143 4.320 0.023 0.000 0.219 112 A C -0.549 177.049 177.584 0.024 0.000 1.164 112 A CA 1.275 53.328 52.037 0.027 0.000 0.644 112 A CB 0.074 19.099 19.000 0.041 0.000 0.805 112 A HN -0.332 7.757 8.150 0.025 0.076 0.449 113 N N -4.512 114.202 118.700 0.024 0.000 2.725 113 N HA -0.330 4.421 4.740 0.019 0.000 0.251 113 N C -0.947 174.575 175.510 0.020 0.000 1.031 113 N CA 0.454 53.515 53.050 0.018 0.000 0.720 113 N CB -2.223 36.270 38.487 0.009 0.000 0.930 113 N HN 0.006 8.371 8.380 0.026 0.030 0.543 114 L N -1.712 119.529 121.223 0.031 0.000 2.417 114 L HA 0.168 4.522 4.340 0.024 0.000 0.268 114 L C -1.864 175.020 176.870 0.023 0.000 1.158 114 L CA -1.404 53.454 54.840 0.030 0.000 0.819 114 L CB -0.182 41.904 42.059 0.046 0.000 1.112 114 L HN -0.147 8.106 8.230 0.039 0.000 0.458 115 P HA -0.077 4.456 4.420 -0.004 -0.116 0.267 115 P C -1.347 175.961 177.300 0.012 0.000 1.200 115 P CA 0.234 63.334 63.100 0.001 0.000 0.772 115 P CB 0.309 32.000 31.700 -0.016 0.000 0.855 116 V N 1.407 121.325 119.914 0.007 0.000 2.448 116 V HA 0.531 4.865 4.120 0.033 -0.194 0.295 116 V C -0.910 175.184 176.094 0.001 0.000 1.025 116 V CA -1.242 61.069 62.300 0.019 0.000 0.859 116 V CB 2.249 34.087 31.823 0.025 0.000 0.988 116 V HN 0.307 8.497 8.190 -0.000 0.000 0.431 117 M N 6.938 126.537 119.600 -0.003 0.000 2.061 117 M HA 0.433 5.043 4.480 -0.059 -0.166 0.346 117 M C -1.584 174.794 176.300 0.130 0.000 1.112 117 M CA -0.791 54.487 55.300 -0.036 0.000 1.021 117 M CB 1.234 33.684 32.600 -0.250 0.000 1.530 117 M HN 0.684 8.986 8.290 0.020 0.000 0.437 118 L N 4.871 126.212 121.223 0.196 0.000 2.259 118 L HA 0.529 5.103 4.340 0.071 -0.191 0.288 118 L C -1.875 175.100 176.870 0.176 0.000 1.051 118 L CA -1.842 53.070 54.840 0.120 0.000 0.824 118 L CB 1.786 43.844 42.059 -0.001 0.000 1.206 118 L HN 0.676 9.010 8.230 0.173 0.000 0.429 119 W N 8.609 129.790 121.300 -0.199 0.000 2.316 119 W HA 0.445 4.704 4.660 -0.966 -0.178 0.311 119 W C -2.061 174.256 176.519 -0.336 0.000 1.217 119 W CA -1.130 55.883 57.345 -0.555 0.000 1.199 119 W CB 2.213 31.335 29.460 -0.563 0.000 1.202 119 W HN 0.892 9.139 8.180 0.111 0.000 0.528 120 I N 7.820 127.689 120.570 -1.169 0.000 2.390 120 I HA 0.271 4.037 4.170 -0.673 0.000 0.283 120 I C -0.668 174.522 176.117 -1.544 0.000 1.016 120 I CA -1.821 58.870 61.300 -1.015 0.000 1.151 120 I CB 0.828 38.390 38.000 -0.729 0.000 1.293 120 I HN 0.292 7.671 8.210 -1.386 0.000 0.458 121 F N 5.652 124.965 119.950 -1.060 0.000 2.485 121 F HA 0.074 3.659 4.527 -1.569 0.000 0.327 121 F C -1.545 173.924 175.800 -0.552 0.000 1.203 121 F CA -0.232 57.187 58.000 -0.968 0.000 1.295 121 F CB 0.646 39.454 39.000 -0.320 0.000 1.191 121 F HN 0.319 8.292 8.300 -0.546 0.000 0.588 122 G N -1.497 107.144 108.800 -0.264 0.000 2.511 122 G HA2 0.171 3.953 3.960 -0.297 0.000 0.318 122 G HA3 0.171 4.180 3.960 -0.202 -0.170 0.318 122 G C -1.085 173.931 174.900 0.193 0.000 1.210 122 G CA -1.293 43.724 45.100 -0.139 0.000 0.969 122 G HN 0.308 8.378 8.290 -0.367 0.000 0.484 123 G N -2.135 106.684 108.800 0.031 0.000 4.890 123 G HA2 -0.014 3.991 3.960 0.075 0.000 0.225 123 G HA3 -0.014 4.308 3.960 0.242 -0.217 0.225 123 G C -0.109 174.717 174.900 -0.123 0.000 2.100 123 G CA -0.200 44.948 45.100 0.080 0.000 0.773 123 G HN 0.049 8.235 8.290 -0.173 0.000 0.279 124 G N -0.449 108.147 108.800 -0.340 0.000 2.166 124 G HA2 -0.443 3.329 3.960 -0.313 0.000 0.260 124 G HA3 -0.443 3.245 3.960 -0.453 0.000 0.260 124 G C -0.026 174.885 174.900 0.018 0.000 0.986 124 G CA 0.571 45.486 45.100 -0.307 0.000 0.683 124 G HN 0.265 8.357 8.290 -0.331 0.000 0.527 125 F N -7.556 112.412 119.950 0.029 0.000 3.069 125 F HA -0.469 4.139 4.527 0.135 0.000 0.285 125 F C -0.788 175.157 175.800 0.242 0.000 0.827 125 F CA 1.435 59.466 58.000 0.051 0.000 1.108 125 F CB -2.265 36.547 39.000 -0.314 0.000 1.252 125 F HN 0.099 8.068 8.300 -0.498 0.032 0.483 126 E N -3.358 117.080 120.200 0.396 0.000 2.555 126 E HA 0.142 4.843 4.350 0.440 -0.087 0.209 126 E C -1.205 175.632 176.600 0.394 0.000 0.847 126 E CA 0.400 57.068 56.400 0.446 0.000 1.438 126 E CB 3.995 34.028 29.700 0.555 0.000 1.420 126 E HN -0.308 8.085 8.360 0.300 0.147 0.755 127 I N -7.349 113.445 120.570 0.372 0.000 3.343 127 I HA 0.328 4.713 4.170 0.247 -0.067 0.315 127 I C -1.157 175.128 176.117 0.279 0.000 1.153 127 I CA -1.747 59.736 61.300 0.305 0.000 0.952 127 I CB 3.426 41.640 38.000 0.356 0.000 1.287 127 I HN -0.200 8.225 8.210 0.359 0.000 0.472 128 G N -0.098 108.774 108.800 0.120 0.000 2.555 128 G HA2 -0.244 3.707 3.960 -0.015 0.000 0.686 128 G HA3 -0.244 3.797 3.960 0.136 0.000 0.686 128 G C -2.479 171.974 174.900 -0.745 0.000 1.275 128 G CA -0.011 45.042 45.100 -0.078 0.000 0.871 128 G HN 0.320 9.010 8.290 0.096 -0.343 0.603 129 S N -1.994 113.042 115.700 -1.107 0.000 2.615 129 S HA 0.435 3.662 4.470 -2.072 0.000 0.268 129 S C -1.809 172.429 174.600 -0.602 0.000 1.146 129 S CA -1.756 55.695 58.200 -1.249 0.000 0.818 129 S CB 1.344 64.236 63.200 -0.513 0.000 1.111 129 S HN -0.242 7.695 8.310 -0.621 0.000 0.465 130 P HA -0.120 4.570 4.420 0.451 0.000 0.219 130 P C 0.806 178.017 177.300 -0.149 0.000 1.146 130 P CA 2.121 65.318 63.100 0.161 0.000 0.808 130 P CB 0.098 31.975 31.700 0.296 0.000 0.779 131 T N -0.115 114.127 114.554 -0.521 0.000 2.759 131 T HA -0.328 2.894 4.350 -1.881 0.000 0.269 131 T C 0.916 175.262 174.700 -0.589 0.000 1.042 131 T CA 3.901 65.436 62.100 -0.941 0.000 1.140 131 T CB -0.248 68.248 68.868 -0.622 0.000 0.864 131 T HN -0.471 7.483 8.240 -0.397 0.048 0.455 132 I N -6.892 113.414 120.570 -0.441 0.000 3.855 132 I HA 0.176 4.123 4.170 -0.373 0.000 0.327 132 I C -1.585 174.087 176.117 -0.740 0.000 1.359 132 I CA -0.721 60.270 61.300 -0.516 0.000 1.142 132 I CB -0.099 37.580 38.000 -0.535 0.000 1.041 132 I HN -0.993 6.967 8.210 -0.370 0.028 0.403 133 F N 0.926 120.789 119.950 -0.145 0.000 2.471 133 F HA 0.549 5.036 4.527 -0.193 -0.076 0.318 133 F C -2.400 173.175 175.800 -0.375 0.000 1.308 133 F CA -2.945 54.922 58.000 -0.221 0.000 1.162 133 F CB 0.351 39.257 39.000 -0.157 0.000 1.383 133 F HN -0.772 7.348 8.300 -0.170 0.078 0.552 134 P HA 0.215 4.494 4.420 -0.235 0.000 0.267 134 P C -1.779 175.295 177.300 -0.377 0.000 1.209 134 P CA -1.562 61.328 63.100 -0.349 0.000 0.763 134 P CB 0.385 31.814 31.700 -0.452 0.000 0.816 135 P HA -0.038 3.979 4.420 -0.672 0.000 0.245 135 P C 0.775 177.907 177.300 -0.279 0.000 1.206 135 P CA 0.709 63.456 63.100 -0.589 0.000 0.781 135 P CB 0.261 31.389 31.700 -0.953 0.000 0.994 136 A N -0.037 122.666 122.820 -0.195 0.000 1.908 136 A HA -0.431 3.839 4.320 -0.084 0.000 0.218 136 A C 1.641 179.176 177.584 -0.081 0.000 1.181 136 A CA 3.153 55.123 52.037 -0.111 0.000 0.627 136 A CB -0.952 17.990 19.000 -0.097 0.000 0.818 136 A HN 0.257 8.224 8.150 -0.211 0.057 0.445 137 Q N -1.060 118.681 119.800 -0.099 0.000 2.061 137 Q HA -0.388 3.930 4.340 -0.038 0.000 0.204 137 Q C 1.985 177.976 176.000 -0.016 0.000 0.984 137 Q CA 3.205 58.976 55.803 -0.053 0.000 0.846 137 Q CB -0.536 28.167 28.738 -0.060 0.000 0.902 137 Q HN 0.046 8.229 8.270 -0.144 0.000 0.421 138 M N -0.620 118.976 119.600 -0.007 0.000 2.086 138 M HA -0.334 4.178 4.480 0.054 0.000 0.261 138 M C 1.994 178.324 176.300 0.050 0.000 1.067 138 M CA 3.122 58.454 55.300 0.053 0.000 1.116 138 M CB -0.371 32.317 32.600 0.145 0.000 1.348 138 M HN -0.203 8.063 8.290 -0.041 0.000 0.407 139 V N -0.572 119.363 119.914 0.035 0.000 2.307 139 V HA -0.478 3.684 4.120 0.070 0.000 0.245 139 V C 2.596 178.709 176.094 0.030 0.000 1.045 139 V CA 4.036 66.364 62.300 0.047 0.000 1.024 139 V CB -0.300 31.549 31.823 0.043 0.000 0.651 139 V HN -0.133 8.059 8.190 0.003 0.000 0.449 140 T N 2.570 117.132 114.554 0.012 0.000 2.720 140 T HA -0.364 3.994 4.350 0.013 0.000 0.268 140 T C 1.483 176.191 174.700 0.014 0.000 1.037 140 T CA 4.951 67.058 62.100 0.010 0.000 1.144 140 T CB -0.499 68.369 68.868 -0.001 0.000 0.864 140 T HN 0.128 8.369 8.240 0.001 0.000 0.444 141 K N 1.120 121.529 120.400 0.015 0.000 2.057 141 K HA -0.281 4.045 4.320 0.011 0.000 0.207 141 K C 2.277 178.889 176.600 0.020 0.000 1.049 141 K CA 2.544 58.840 56.287 0.015 0.000 0.931 141 K CB -0.372 32.136 32.500 0.013 0.000 0.714 141 K HN -0.413 7.845 8.250 0.013 0.000 0.440 142 S N -0.246 115.471 115.700 0.028 0.000 2.370 142 S HA -0.262 4.225 4.470 0.028 0.000 0.226 142 S C 1.998 176.614 174.600 0.027 0.000 1.033 142 S CA 3.738 61.956 58.200 0.031 0.000 1.011 142 S CB -0.793 62.431 63.200 0.040 0.000 0.852 142 S HN -0.356 7.973 8.310 0.032 0.000 0.457 143 V N 2.767 122.697 119.914 0.027 0.000 2.343 143 V HA -0.348 3.787 4.120 0.026 0.000 0.247 143 V C 2.801 178.906 176.094 0.019 0.000 1.051 143 V CA 3.637 65.951 62.300 0.024 0.000 1.036 143 V CB -0.849 30.989 31.823 0.025 0.000 0.654 143 V HN -0.620 7.587 8.190 0.028 0.000 0.451 144 L N -0.009 121.223 121.223 0.016 0.000 2.079 144 L HA -0.386 3.961 4.340 0.011 0.000 0.210 144 L C 1.856 178.733 176.870 0.011 0.000 1.081 144 L CA 3.163 58.010 54.840 0.012 0.000 0.752 144 L CB -0.161 41.903 42.059 0.009 0.000 0.896 144 L HN -0.480 7.759 8.230 0.016 0.000 0.433 145 M N -5.548 114.060 119.600 0.013 0.000 2.619 145 M HA -0.099 4.388 4.480 0.011 0.000 0.251 145 M C 0.353 176.662 176.300 0.015 0.000 1.106 145 M CA 1.028 56.336 55.300 0.013 0.000 1.086 145 M CB 0.808 33.417 32.600 0.016 0.000 1.465 145 M HN -0.467 7.806 8.290 0.015 0.027 0.506 146 G N -2.850 105.959 108.800 0.016 0.000 2.153 146 G HA2 -0.323 3.647 3.960 0.016 0.000 0.252 146 G HA3 -0.323 3.646 3.960 0.014 0.000 0.252 146 G C -0.251 174.659 174.900 0.017 0.000 0.994 146 G CA 0.413 45.523 45.100 0.016 0.000 0.698 146 G HN -0.317 7.794 8.290 0.016 0.190 0.521 147 K N -0.518 119.894 120.400 0.019 0.000 3.022 147 K HA 0.317 4.647 4.320 0.017 0.000 0.178 147 K C -2.584 174.030 176.600 0.024 0.000 1.089 147 K CA -3.168 53.130 56.287 0.019 0.000 0.916 147 K CB 1.106 33.617 32.500 0.019 0.000 1.159 147 K HN -0.352 7.861 8.250 0.020 0.049 0.592 148 P HA -0.108 4.334 4.420 0.038 0.000 0.268 148 P C -0.838 176.486 177.300 0.039 0.000 1.205 148 P CA -0.253 62.869 63.100 0.036 0.000 0.771 148 P CB 0.406 32.129 31.700 0.038 0.000 0.858 149 I N -4.253 116.347 120.570 0.050 0.000 3.042 149 I HA 0.534 4.849 4.170 0.045 -0.118 0.310 149 I C -1.121 175.048 176.117 0.086 0.000 1.117 149 I CA -2.860 58.473 61.300 0.055 0.000 1.003 149 I CB 4.279 42.303 38.000 0.040 0.000 1.228 149 I HN -0.334 7.909 8.210 0.055 0.000 0.443 150 I N 0.413 121.038 120.570 0.091 0.000 2.354 150 I HA 0.227 4.595 4.170 0.144 -0.111 0.292 150 I C -1.577 174.633 176.117 0.156 0.000 0.989 150 I CA -1.259 60.115 61.300 0.124 0.000 1.188 150 I CB 2.503 40.566 38.000 0.104 0.000 1.342 150 I HN 0.190 8.442 8.210 0.070 0.000 0.457 151 H N 8.758 127.890 119.070 0.102 0.000 2.552 151 H HA 0.621 5.480 4.556 0.190 -0.189 0.311 151 H C -1.582 173.828 175.328 0.137 0.000 1.071 151 H CA -1.789 54.351 56.048 0.152 0.000 1.307 151 H CB 1.816 31.670 29.762 0.153 0.000 1.416 151 H HN 0.363 8.810 8.280 0.279 0.000 0.464 152 V N 8.329 128.309 119.914 0.111 0.000 2.448 152 V HA 0.769 5.197 4.120 0.144 -0.222 0.295 152 V C -2.152 174.026 176.094 0.140 0.000 1.025 152 V CA -1.711 60.656 62.300 0.112 0.000 0.859 152 V CB 2.733 34.572 31.823 0.027 0.000 0.988 152 V HN 0.296 8.484 8.190 -0.003 0.000 0.431 153 A N 7.813 130.769 122.820 0.228 0.000 2.319 153 A HA 0.715 5.387 4.320 0.273 -0.188 0.310 153 A C -2.178 175.511 177.584 0.174 0.000 1.152 153 A CA -1.971 50.248 52.037 0.303 0.000 0.783 153 A CB 3.191 22.516 19.000 0.543 0.000 1.184 153 A HN 0.720 8.999 8.150 0.214 0.000 0.474 154 V N 3.752 123.725 119.914 0.099 0.000 2.439 154 V HA 0.104 4.202 4.120 -0.036 0.000 0.282 154 V C -1.441 174.829 176.094 0.293 0.000 1.039 154 V CA -1.804 60.515 62.300 0.031 0.000 0.913 154 V CB 1.938 33.647 31.823 -0.191 0.000 0.983 154 V HN -0.470 7.767 8.190 0.079 0.000 0.460 155 N N 9.012 127.928 118.700 0.360 0.000 2.513 155 N HA 0.084 5.199 4.740 0.626 0.000 0.274 155 N C -2.067 173.756 175.510 0.521 0.000 1.189 155 N CA -0.517 52.814 53.050 0.467 0.000 0.975 155 N CB 1.663 40.325 38.487 0.293 0.000 1.157 155 N HN 0.174 8.744 8.380 0.316 0.000 0.465 156 Y N -4.709 115.816 120.300 0.375 0.000 2.581 156 Y HA 0.038 4.721 4.550 0.222 0.000 0.337 156 Y C -2.503 173.545 175.900 0.247 0.000 1.108 156 Y CA -2.080 56.156 58.100 0.227 0.000 1.033 156 Y CB 2.007 40.522 38.460 0.091 0.000 1.318 156 Y HN -0.410 8.053 8.280 0.304 0.000 0.459 157 R N 1.579 122.244 120.500 0.275 0.000 2.491 157 R HA 0.087 4.503 4.340 0.127 0.000 0.283 157 R C -0.963 175.543 176.300 0.344 0.000 1.072 157 R CA 0.218 56.439 56.100 0.201 0.000 1.048 157 R CB 0.895 31.290 30.300 0.158 0.000 0.983 157 R HN 0.168 8.931 8.270 0.297 -0.314 0.450 158 V N -2.943 117.173 119.914 0.337 0.000 3.166 158 V HA 0.247 4.819 4.120 0.752 0.000 0.317 158 V C 0.060 176.449 176.094 0.492 0.000 1.136 158 V CA -2.675 59.927 62.300 0.504 0.000 1.035 158 V CB 2.607 34.657 31.823 0.378 0.000 1.110 158 V HN -0.309 8.026 8.190 0.242 0.000 0.450 159 A N 0.927 123.997 122.820 0.417 0.000 5.584 159 A HA -0.434 3.824 4.320 -0.103 0.000 0.303 159 A C 0.729 177.955 177.584 -0.597 0.000 1.923 159 A CA 2.110 54.085 52.037 -0.103 0.000 0.717 159 A CB -1.753 17.296 19.000 0.081 0.000 1.281 159 A HN 0.609 8.956 8.150 0.521 0.115 0.379 160 S N 0.034 114.991 115.700 -1.239 0.000 2.382 160 S HA -0.362 3.501 4.470 -1.012 0.000 0.228 160 S C 1.894 176.292 174.600 -0.336 0.000 1.027 160 S CA 2.912 60.444 58.200 -1.113 0.000 0.991 160 S CB -0.155 62.063 63.200 -1.637 0.000 0.823 160 S HN 0.240 7.806 8.310 -1.240 0.000 0.469 161 W N -0.000 121.294 121.300 -0.009 0.000 2.374 161 W HA -0.173 4.603 4.660 0.193 0.000 0.288 161 W C 1.497 178.059 176.519 0.073 0.000 1.218 161 W CA 2.148 59.548 57.345 0.093 0.000 1.245 161 W CB -0.280 29.183 29.460 0.005 0.000 1.126 161 W HN -0.692 7.511 8.180 0.073 0.021 0.545 162 G N -4.527 104.423 108.800 0.249 0.000 2.762 162 G HA2 0.027 3.949 3.960 -0.063 0.000 0.209 162 G HA3 0.027 4.101 3.960 -0.007 -0.119 0.209 162 G C -0.601 173.999 174.900 -0.501 0.000 1.134 162 G CA 0.329 45.394 45.100 -0.057 0.000 0.781 162 G HN -0.649 7.712 8.290 0.305 0.112 0.528 163 F N -1.595 118.449 119.950 0.157 0.000 2.777 163 F HA 0.310 4.899 4.527 0.104 0.000 0.361 163 F C -1.665 174.212 175.800 0.128 0.000 1.254 163 F CA -0.940 57.140 58.000 0.132 0.000 1.181 163 F CB 0.962 40.052 39.000 0.151 0.000 1.082 163 F HN -0.239 8.171 8.300 0.183 0.000 0.510 164 L N 1.516 122.808 121.223 0.116 0.000 2.483 164 L HA -0.106 4.277 4.340 0.072 0.000 0.276 164 L C -1.841 175.023 176.870 -0.010 0.000 1.213 164 L CA 0.376 55.214 54.840 -0.003 0.000 0.843 164 L CB 1.060 42.950 42.059 -0.281 0.000 1.107 164 L HN -0.861 7.420 8.230 0.086 0.000 0.487 165 A N 1.819 124.613 122.820 -0.044 0.000 2.973 165 A HA 0.698 4.959 4.320 -0.098 0.000 0.267 165 A C -1.068 176.366 177.584 -0.251 0.000 1.210 165 A CA -1.262 50.716 52.037 -0.098 0.000 0.749 165 A CB 2.567 21.546 19.000 -0.034 0.000 1.373 165 A HN 0.008 8.148 8.150 -0.016 0.000 0.585 166 G N -1.439 107.228 108.800 -0.220 0.000 2.710 166 G HA2 -0.313 3.614 3.960 -0.159 0.000 0.668 166 G HA3 -0.313 3.384 3.960 -0.439 0.000 0.668 166 G C -0.212 174.498 174.900 -0.316 0.000 1.320 166 G CA -0.362 44.563 45.100 -0.292 0.000 0.860 166 G HN -0.168 8.038 8.290 -0.140 0.000 0.538 167 D N 1.765 122.010 120.400 -0.259 0.000 2.144 167 D HA -0.251 4.315 4.640 -0.124 0.000 0.199 167 D C 1.644 177.828 176.300 -0.193 0.000 0.984 167 D CA 3.549 57.450 54.000 -0.165 0.000 0.834 167 D CB -0.149 40.600 40.800 -0.085 0.000 0.955 167 D HN 0.001 8.499 8.370 -0.233 -0.269 0.465 168 D N -1.474 118.743 120.400 -0.306 0.000 2.123 168 D HA -0.148 4.426 4.640 -0.111 0.000 0.200 168 D C 2.055 178.241 176.300 -0.191 0.000 0.976 168 D CA 3.276 57.152 54.000 -0.206 0.000 0.831 168 D CB -0.556 40.144 40.800 -0.167 0.000 0.974 168 D HN 0.250 8.342 8.370 -0.464 0.000 0.469 169 I N -0.446 119.944 120.570 -0.300 0.000 2.163 169 I HA -0.419 3.681 4.170 -0.116 0.000 0.243 169 I C 1.773 177.825 176.117 -0.109 0.000 1.085 169 I CA 2.596 63.789 61.300 -0.180 0.000 1.347 169 I CB -0.662 37.207 38.000 -0.218 0.000 1.044 169 I HN -0.212 7.705 8.210 -0.488 0.000 0.408 170 K N 0.283 120.608 120.400 -0.124 0.000 2.057 170 K HA -0.314 3.968 4.320 -0.064 0.000 0.207 170 K C 2.719 179.285 176.600 -0.056 0.000 1.049 170 K CA 2.811 59.051 56.287 -0.077 0.000 0.931 170 K CB -0.416 32.038 32.500 -0.077 0.000 0.714 170 K HN -0.301 7.849 8.250 -0.168 0.000 0.440 171 A N -0.719 122.066 122.820 -0.060 0.000 1.969 171 A HA -0.106 4.195 4.320 -0.032 0.000 0.218 171 A C 1.629 179.201 177.584 -0.020 0.000 1.169 171 A CA 2.573 54.589 52.037 -0.036 0.000 0.635 171 A CB -0.814 18.166 19.000 -0.034 0.000 0.810 171 A HN -0.350 7.752 8.150 -0.080 0.000 0.445 172 E N -2.779 117.410 120.200 -0.018 0.000 2.358 172 E HA -0.110 4.247 4.350 0.010 0.000 0.195 172 E C 0.481 177.087 176.600 0.010 0.000 1.010 172 E CA -0.370 56.033 56.400 0.005 0.000 0.856 172 E CB 0.426 30.137 29.700 0.018 0.000 0.795 172 E HN -0.612 7.709 8.360 -0.033 0.020 0.504 173 G N -0.597 108.201 108.800 -0.003 0.000 2.149 173 G HA2 -0.260 3.693 3.960 -0.011 0.000 0.235 173 G HA3 -0.260 3.704 3.960 0.008 0.000 0.235 173 G C -0.087 174.825 174.900 0.019 0.000 1.018 173 G CA 0.411 45.512 45.100 0.002 0.000 0.728 173 G HN -0.491 7.620 8.290 -0.016 0.170 0.508 174 S N -0.701 115.011 115.700 0.019 0.000 2.561 174 S HA 0.281 4.787 4.470 0.060 0.000 0.245 174 S C -0.260 174.360 174.600 0.034 0.000 1.001 174 S CA 0.081 58.308 58.200 0.046 0.000 1.002 174 S CB 0.414 63.658 63.200 0.073 0.000 0.805 174 S HN -0.486 7.826 8.310 0.002 0.000 0.458 175 G N -0.072 108.737 108.800 0.016 0.000 2.544 175 G HA2 -0.118 3.847 3.960 0.009 0.000 0.242 175 G HA3 -0.118 3.847 3.960 0.009 0.000 0.242 175 G C -1.110 173.817 174.900 0.046 0.000 1.247 175 G CA -0.760 44.351 45.100 0.018 0.000 0.840 175 G HN -0.228 7.998 8.290 0.007 0.068 0.578 176 N N -1.599 117.123 118.700 0.036 0.000 2.740 176 N HA -0.501 4.223 4.740 -0.028 0.000 0.248 176 N C 0.032 175.464 175.510 -0.131 0.000 1.062 176 N CA 1.094 54.155 53.050 0.018 0.000 0.704 176 N CB -2.015 36.613 38.487 0.234 0.000 0.968 176 N HN 0.404 8.811 8.380 0.045 0.000 0.547 177 A N -0.573 122.119 122.820 -0.213 0.000 1.927 177 A HA -0.348 3.962 4.320 -0.017 0.000 0.220 177 A C 1.128 178.594 177.584 -0.197 0.000 1.185 177 A CA 3.179 55.137 52.037 -0.131 0.000 0.639 177 A CB -0.090 18.878 19.000 -0.053 0.000 0.820 177 A HN 0.233 8.263 8.150 -0.200 0.000 0.451 178 G N -3.409 105.074 108.800 -0.528 0.000 2.422 178 G HA2 -0.260 3.919 3.960 0.046 0.000 0.218 178 G HA3 -0.260 3.746 3.960 -0.161 -0.143 0.218 178 G C 1.192 176.053 174.900 -0.065 0.000 1.140 178 G CA 1.687 46.680 45.100 -0.178 0.000 0.775 178 G HN -0.128 7.454 8.290 -1.035 0.087 0.545 179 L N 1.049 122.217 121.223 -0.091 0.000 2.093 179 L HA -0.401 3.812 4.340 -0.213 0.000 0.208 179 L C 2.012 178.746 176.870 -0.227 0.000 1.085 179 L CA 2.415 57.158 54.840 -0.161 0.000 0.755 179 L CB -0.500 41.473 42.059 -0.143 0.000 0.904 179 L HN -0.797 7.333 8.230 -0.167 0.000 0.435 180 K N -0.428 119.930 120.400 -0.071 0.000 2.097 180 K HA -0.403 3.877 4.320 -0.067 0.000 0.206 180 K C 2.302 178.922 176.600 0.034 0.000 1.049 180 K CA 3.736 60.026 56.287 0.005 0.000 0.933 180 K CB -0.473 32.111 32.500 0.141 0.000 0.717 180 K HN -0.452 7.713 8.250 -0.011 0.078 0.442 181 D N 0.042 120.491 120.400 0.082 0.000 2.104 181 D HA -0.286 4.538 4.640 0.308 0.000 0.194 181 D C 2.521 178.918 176.300 0.161 0.000 0.994 181 D CA 3.417 57.555 54.000 0.230 0.000 0.830 181 D CB -0.635 40.339 40.800 0.291 0.000 0.959 181 D HN -0.215 8.187 8.370 0.053 0.000 0.452 182 Q N -0.612 119.182 119.800 -0.010 0.000 2.096 182 Q HA -0.406 3.830 4.340 -0.174 0.000 0.204 182 Q C 2.648 178.491 176.000 -0.262 0.000 0.982 182 Q CA 3.228 58.929 55.803 -0.169 0.000 0.850 182 Q CB -0.072 28.541 28.738 -0.210 0.000 0.901 182 Q HN -0.452 7.803 8.270 -0.026 0.000 0.422 183 R N -0.343 120.026 120.500 -0.219 0.000 2.081 183 R HA -0.258 3.854 4.340 -0.381 0.000 0.235 183 R C 2.420 178.597 176.300 -0.205 0.000 1.131 183 R CA 2.447 58.378 56.100 -0.281 0.000 0.960 183 R CB -0.441 29.642 30.300 -0.361 0.000 0.856 183 R HN -0.313 7.851 8.270 -0.176 0.000 0.436 184 L N -1.327 119.846 121.223 -0.083 0.000 2.046 184 L HA -0.234 4.077 4.340 -0.048 0.000 0.208 184 L C 1.688 178.479 176.870 -0.131 0.000 1.077 184 L CA 3.111 57.949 54.840 -0.003 0.000 0.747 184 L CB -0.522 41.678 42.059 0.234 0.000 0.896 184 L HN 0.015 8.226 8.230 -0.030 0.000 0.432 185 G N -2.138 106.404 108.800 -0.429 0.000 2.442 185 G HA2 -0.435 2.960 3.960 -0.940 0.000 0.219 185 G HA3 -0.435 2.968 3.960 -0.928 0.000 0.219 185 G C 1.073 175.795 174.900 -0.296 0.000 1.141 185 G CA 2.204 46.873 45.100 -0.717 0.000 0.763 185 G HN -0.137 7.940 8.290 -0.356 0.000 0.554 186 M N 1.649 121.086 119.600 -0.272 0.000 2.159 186 M HA -0.527 3.866 4.480 -0.145 0.000 0.263 186 M C 2.345 178.554 176.300 -0.152 0.000 1.063 186 M CA 4.241 59.428 55.300 -0.189 0.000 1.110 186 M CB -0.195 32.266 32.600 -0.231 0.000 1.374 186 M HN -0.296 7.725 8.290 -0.318 0.078 0.411 187 Q N -1.103 118.537 119.800 -0.267 0.000 2.124 187 Q HA -0.356 3.625 4.340 -0.599 0.000 0.202 187 Q C 2.210 178.143 176.000 -0.113 0.000 0.977 187 Q CA 2.905 58.422 55.803 -0.477 0.000 0.850 187 Q CB -0.214 28.022 28.738 -0.838 0.000 0.901 187 Q HN -0.329 7.776 8.270 -0.276 0.000 0.429 188 W N 0.940 122.127 121.300 -0.188 0.000 2.358 188 W HA -0.351 4.302 4.660 -0.011 0.000 0.303 188 W C 1.555 178.029 176.519 -0.075 0.000 1.208 188 W CA 4.294 61.585 57.345 -0.090 0.000 1.274 188 W CB 0.115 29.494 29.460 -0.134 0.000 1.138 188 W HN -0.078 8.076 8.180 0.085 0.076 0.515 189 V N -1.264 118.777 119.914 0.212 0.000 2.295 189 V HA -0.723 3.449 4.120 0.087 0.000 0.246 189 V C 1.955 178.023 176.094 -0.043 0.000 1.049 189 V CA 4.240 66.590 62.300 0.084 0.000 1.024 189 V CB -0.342 31.530 31.823 0.083 0.000 0.648 189 V HN -0.138 8.181 8.190 0.214 0.000 0.447 190 A N -0.829 121.995 122.820 0.007 0.000 1.917 190 A HA -0.372 3.973 4.320 0.043 0.000 0.219 190 A C 1.373 178.967 177.584 0.017 0.000 1.182 190 A CA 3.109 55.181 52.037 0.059 0.000 0.633 190 A CB -0.738 18.388 19.000 0.210 0.000 0.819 190 A HN -0.313 7.845 8.150 0.013 0.000 0.448 191 D N -3.345 117.043 120.400 -0.020 0.000 2.213 191 D HA -0.032 4.594 4.640 -0.023 0.000 0.205 191 D C 0.745 176.912 176.300 -0.222 0.000 0.961 191 D CA 2.112 56.066 54.000 -0.077 0.000 0.853 191 D CB 0.511 41.288 40.800 -0.038 0.000 0.967 191 D HN -0.392 7.948 8.370 -0.024 0.016 0.496 192 N N -3.861 114.589 118.700 -0.417 0.000 2.257 192 N HA 0.078 4.608 4.740 -0.350 0.000 0.200 192 N C 1.130 176.512 175.510 -0.214 0.000 1.163 192 N CA 0.597 53.344 53.050 -0.504 0.000 0.891 192 N CB 2.454 40.182 38.487 -1.265 0.000 1.067 192 N HN -0.377 7.738 8.380 -0.442 0.000 0.497 193 I N 2.022 122.501 120.570 -0.153 0.000 2.493 193 I HA -0.341 3.904 4.170 0.126 0.000 0.254 193 I C 0.226 176.417 176.117 0.123 0.000 1.160 193 I CA 1.562 62.883 61.300 0.036 0.000 1.445 193 I CB -0.258 37.734 38.000 -0.013 0.000 1.086 193 I HN 0.043 8.140 8.210 -0.188 0.000 0.433 194 A N -0.586 122.250 122.820 0.027 0.000 1.940 194 A HA -0.192 4.389 4.320 0.024 -0.247 0.219 194 A C 2.577 180.158 177.584 -0.006 0.000 1.176 194 A CA 2.626 54.669 52.037 0.010 0.000 0.631 194 A CB -0.907 18.079 19.000 -0.023 0.000 0.814 194 A HN 0.281 8.389 8.150 -0.017 0.032 0.446 195 G N -2.758 106.006 108.800 -0.060 0.000 2.498 195 G HA2 -0.211 3.645 3.960 -0.174 0.000 0.219 195 G HA3 -0.211 3.766 3.960 -0.317 -0.207 0.219 195 G C 0.721 175.419 174.900 -0.335 0.000 1.119 195 G CA 1.459 46.428 45.100 -0.218 0.000 0.766 195 G HN -0.398 7.846 8.290 -0.046 0.018 0.552 196 F N -1.758 118.104 119.950 -0.147 0.000 2.746 196 F HA 0.049 4.454 4.527 -0.203 0.000 0.297 196 F C 0.115 175.887 175.800 -0.047 0.000 1.113 196 F CA 0.070 57.979 58.000 -0.152 0.000 1.367 196 F CB 0.942 39.835 39.000 -0.180 0.000 1.111 196 F HN -0.514 7.725 8.300 0.193 0.177 0.590 197 G N -2.540 106.330 108.800 0.116 0.000 2.168 197 G HA2 -0.330 3.760 3.960 0.054 0.000 0.197 197 G HA3 -0.330 3.712 3.960 0.098 -0.023 0.197 197 G C -0.844 174.105 174.900 0.082 0.000 0.997 197 G CA -0.293 44.858 45.100 0.086 0.000 0.658 197 G HN -0.386 7.789 8.290 0.088 0.168 0.513 198 G N -0.782 108.072 108.800 0.090 0.000 2.412 198 G HA2 0.370 4.493 3.960 0.057 0.000 0.318 198 G HA3 0.370 4.367 3.960 0.063 0.000 0.318 198 G C -2.684 172.237 174.900 0.035 0.000 1.146 198 G CA -1.525 43.612 45.100 0.061 0.000 0.882 198 G HN -0.582 7.778 8.290 0.117 0.000 0.501 199 D N 1.249 121.663 120.400 0.023 0.000 2.396 199 D HA 0.492 5.137 4.640 0.009 0.000 0.225 199 D C -0.001 176.305 176.300 0.010 0.000 1.121 199 D CA -3.424 50.583 54.000 0.011 0.000 0.853 199 D CB 1.712 42.516 40.800 0.006 0.000 1.043 199 D HN -0.021 8.364 8.370 0.025 0.000 0.500 200 P HA -0.089 4.340 4.420 0.015 0.000 0.225 200 P C 0.181 177.489 177.300 0.013 0.000 1.148 200 P CA 1.262 64.369 63.100 0.012 0.000 0.779 200 P CB 0.264 31.968 31.700 0.007 0.000 0.780 201 S N -1.571 114.131 115.700 0.004 0.000 2.593 201 S HA -0.006 4.463 4.470 -0.001 0.000 0.217 201 S C -0.674 173.923 174.600 -0.005 0.000 0.966 201 S CA 0.519 58.717 58.200 -0.003 0.000 0.914 201 S CB 0.470 63.664 63.200 -0.009 0.000 0.776 201 S HN -0.404 8.133 8.310 0.001 -0.227 0.523 202 K N 0.838 121.237 120.400 -0.001 0.000 3.237 202 K HA 0.216 4.525 4.320 -0.019 0.000 0.197 202 K C -2.273 174.326 176.600 -0.001 0.000 1.133 202 K CA -1.295 54.986 56.287 -0.011 0.000 0.944 202 K CB 0.325 32.813 32.500 -0.019 0.000 0.952 202 K HN -0.336 7.730 8.250 0.004 0.187 0.515 203 V N 2.701 122.630 119.914 0.026 0.000 2.432 203 V HA 0.404 4.720 4.120 0.026 -0.181 0.275 203 V C -0.468 175.666 176.094 0.067 0.000 1.043 203 V CA -0.979 61.349 62.300 0.047 0.000 0.925 203 V CB 0.605 32.474 31.823 0.077 0.000 0.985 203 V HN -0.049 8.161 8.190 0.033 0.000 0.466 204 T N 9.998 124.565 114.554 0.021 0.000 2.758 204 T HA 0.446 4.996 4.350 0.050 -0.169 0.285 204 T C -0.575 174.142 174.700 0.029 0.000 0.981 204 T CA -0.259 61.850 62.100 0.014 0.000 0.965 204 T CB 0.842 69.677 68.868 -0.055 0.000 0.927 204 T HN 0.628 8.868 8.240 0.001 0.000 0.448 205 I N 3.399 123.948 120.570 -0.036 0.000 2.396 205 I HA 0.770 5.118 4.170 0.011 -0.171 0.292 205 I C -1.924 174.233 176.117 0.067 0.000 0.999 205 I CA -1.565 59.685 61.300 -0.083 0.000 1.310 205 I CB 0.945 38.697 38.000 -0.415 0.000 1.404 205 I HN 0.096 8.266 8.210 -0.066 0.000 0.496 206 F N 1.604 121.461 119.950 -0.156 0.000 2.631 206 F HA 1.146 5.804 4.527 -0.153 -0.222 0.308 206 F C -1.906 173.760 175.800 -0.223 0.000 1.097 206 F CA -3.255 54.687 58.000 -0.096 0.000 0.952 206 F CB 3.340 42.380 39.000 0.066 0.000 1.307 206 F HN 0.575 9.018 8.300 0.238 0.000 0.450 207 G N -2.643 105.935 108.800 -0.370 0.000 2.576 207 G HA2 0.230 3.108 3.960 -1.891 0.000 0.290 207 G HA3 0.230 3.767 3.960 -0.918 -0.128 0.290 207 G C -3.461 171.173 174.900 -0.442 0.000 1.442 207 G CA 0.282 44.821 45.100 -0.935 0.000 0.792 207 G HN -0.200 8.034 8.290 -0.093 0.000 0.491 208 E N 0.224 120.111 120.200 -0.521 0.000 2.222 208 E HA 0.922 5.468 4.350 -0.058 -0.231 0.267 208 E C 0.224 176.708 176.600 -0.194 0.000 0.884 208 E CA -2.988 53.325 56.400 -0.145 0.000 0.764 208 E CB 4.019 33.779 29.700 0.101 0.000 1.169 208 E HN -0.335 7.477 8.360 -0.912 0.000 0.413 209 S N 6.742 122.399 115.700 -0.072 0.000 4.150 209 S HA -0.528 4.307 4.470 0.262 -0.208 0.575 209 S C 0.686 175.231 174.600 -0.091 0.000 1.878 209 S CA 3.286 61.532 58.200 0.076 0.000 4.245 209 S CB -1.188 62.106 63.200 0.157 0.000 0.231 209 S HN 0.804 9.091 8.310 -0.037 0.000 0.469 210 A N 3.486 126.108 122.820 -0.329 0.000 2.019 210 A HA -0.228 3.619 4.320 -0.788 0.000 0.219 210 A C 1.606 178.793 177.584 -0.661 0.000 1.164 210 A CA 2.551 54.066 52.037 -0.870 0.000 0.644 210 A CB -0.374 17.647 19.000 -1.632 0.000 0.805 210 A HN 0.463 8.454 8.150 -0.266 0.000 0.449 211 G N -3.404 105.065 108.800 -0.552 0.000 2.448 211 G HA2 -0.289 3.295 3.960 -0.627 0.000 0.218 211 G HA3 -0.289 3.423 3.960 -0.784 -0.222 0.218 211 G C 1.290 175.914 174.900 -0.460 0.000 1.135 211 G CA 1.841 46.574 45.100 -0.612 0.000 0.784 211 G HN 0.043 8.011 8.290 -0.505 0.019 0.543 212 S N 2.537 118.045 115.700 -0.320 0.000 2.357 212 S HA -0.197 4.131 4.470 -0.237 0.000 0.221 212 S C 1.985 176.473 174.600 -0.187 0.000 1.031 212 S CA 3.216 61.289 58.200 -0.212 0.000 0.982 212 S CB -0.205 62.934 63.200 -0.102 0.000 0.853 212 S HN -0.793 7.181 8.310 -0.297 0.158 0.458 213 M N 1.696 121.224 119.600 -0.119 0.000 2.149 213 M HA -0.273 4.307 4.480 -0.115 -0.169 0.261 213 M C 2.558 178.805 176.300 -0.089 0.000 1.064 213 M CA 4.102 59.363 55.300 -0.066 0.000 1.102 213 M CB -0.017 32.636 32.600 0.089 0.000 1.369 213 M HN 0.003 8.233 8.290 -0.100 0.000 0.408 214 S N -0.167 115.465 115.700 -0.113 0.000 2.368 214 S HA -0.366 3.996 4.470 -0.180 0.000 0.225 214 S C 1.643 176.118 174.600 -0.209 0.000 1.030 214 S CA 4.216 62.302 58.200 -0.191 0.000 0.999 214 S CB -0.609 62.421 63.200 -0.283 0.000 0.844 214 S HN -0.263 7.875 8.310 -0.144 0.086 0.459 215 V N 2.090 121.880 119.914 -0.207 0.000 2.287 215 V HA -0.443 3.579 4.120 -0.164 0.000 0.248 215 V C 1.436 177.407 176.094 -0.207 0.000 1.053 215 V CA 4.076 66.250 62.300 -0.210 0.000 1.027 215 V CB -0.673 30.995 31.823 -0.258 0.000 0.646 215 V HN -0.609 7.360 8.190 -0.245 0.075 0.447 216 L N 0.443 121.522 121.223 -0.240 0.000 2.012 216 L HA -0.370 3.810 4.340 -0.266 0.000 0.210 216 L C 2.032 178.844 176.870 -0.097 0.000 1.073 216 L CA 3.271 57.972 54.840 -0.231 0.000 0.748 216 L CB -1.538 40.341 42.059 -0.301 0.000 0.891 216 L HN -0.426 7.654 8.230 -0.250 0.000 0.431 217 C N -2.068 117.155 119.300 -0.129 0.000 2.413 217 C HA -0.455 4.011 4.460 0.010 0.000 0.277 217 C C 2.284 177.254 174.990 -0.033 0.000 1.265 217 C CA 4.405 63.375 59.018 -0.081 0.000 1.752 217 C CB -2.015 25.623 27.740 -0.170 0.000 1.998 217 C HN -0.124 8.005 8.230 -0.168 0.000 0.489 218 H N -1.132 117.929 119.070 -0.015 0.000 2.457 218 H HA -0.193 4.397 4.556 0.057 0.000 0.294 218 H C 2.769 178.253 175.328 0.259 0.000 1.064 218 H CA 3.141 59.196 56.048 0.011 0.000 1.330 218 H CB -0.723 28.867 29.762 -0.287 0.000 1.395 218 H HN -0.160 7.866 8.280 -0.279 0.088 0.541 219 L N -1.829 119.570 121.223 0.293 0.000 2.093 219 L HA -0.231 4.461 4.340 0.587 0.000 0.208 219 L C 1.758 178.886 176.870 0.430 0.000 1.085 219 L CA 3.227 58.317 54.840 0.416 0.000 0.755 219 L CB -0.266 41.963 42.059 0.282 0.000 0.904 219 L HN -0.497 7.694 8.230 0.138 0.122 0.435 220 I N -8.773 112.001 120.570 0.339 0.000 3.883 220 I HA 0.274 4.801 4.170 0.332 -0.158 0.326 220 I C -0.724 175.558 176.117 0.275 0.000 1.283 220 I CA -1.722 59.760 61.300 0.303 0.000 1.161 220 I CB 0.247 38.387 38.000 0.233 0.000 1.012 220 I HN -0.631 7.742 8.210 0.272 0.000 0.421 221 W N 2.365 123.738 121.300 0.121 0.000 2.314 221 W HA -0.303 4.552 4.660 0.053 -0.163 0.339 221 W C -0.171 176.410 176.519 0.102 0.000 1.293 221 W CA 2.152 59.554 57.345 0.094 0.000 1.288 221 W CB 0.287 29.823 29.460 0.127 0.000 1.186 221 W HN -0.506 7.917 8.180 0.499 0.057 0.566 222 N N 5.965 124.524 118.700 -0.235 0.000 2.727 222 N HA -0.464 4.145 4.740 -0.217 0.000 0.249 222 N C -0.735 174.776 175.510 0.002 0.000 1.048 222 N CA 1.810 54.788 53.050 -0.120 0.000 0.714 222 N CB -1.956 36.544 38.487 0.020 0.000 0.959 222 N HN 0.752 8.668 8.380 -0.600 0.104 0.544 223 D N -6.945 113.455 120.400 0.000 0.000 2.882 223 D HA -0.403 4.304 4.640 0.033 -0.048 0.229 223 D C -0.046 176.295 176.300 0.068 0.000 1.167 223 D CA 2.025 56.040 54.000 0.026 0.000 0.759 223 D CB -1.631 39.162 40.800 -0.011 0.000 1.088 223 D HN -0.000 8.330 8.370 -0.036 0.018 0.425 224 G N -6.319 102.571 108.800 0.150 0.000 2.176 224 G HA2 -0.521 3.837 3.960 0.282 0.000 0.232 224 G HA3 -0.521 3.467 3.960 0.161 0.069 0.232 224 G C -1.489 173.505 174.900 0.158 0.000 0.986 224 G CA -0.175 45.042 45.100 0.196 0.000 0.643 224 G HN -0.112 8.111 8.290 0.175 0.172 0.522 225 D N 1.508 121.987 120.400 0.132 0.000 2.374 225 D HA 0.010 4.696 4.640 0.076 0.000 0.240 225 D C -0.601 175.789 176.300 0.149 0.000 1.229 225 D CA -0.830 53.235 54.000 0.107 0.000 0.895 225 D CB -0.101 40.751 40.800 0.086 0.000 1.046 225 D HN -0.687 7.699 8.370 0.124 0.058 0.498 226 N N 5.336 124.078 118.700 0.070 0.000 2.295 226 N HA 0.011 4.842 4.740 0.152 0.000 0.221 226 N C -0.478 175.015 175.510 -0.028 0.000 1.129 226 N CA -1.259 51.795 53.050 0.007 0.000 0.836 226 N CB -0.044 38.245 38.487 -0.331 0.000 1.040 226 N HN -0.137 8.259 8.380 0.027 0.000 0.494 227 T N -0.353 114.228 114.554 0.045 0.000 2.918 227 T HA 0.280 4.752 4.350 0.028 -0.105 0.283 227 T C -1.013 173.793 174.700 0.177 0.000 1.001 227 T CA -0.688 61.450 62.100 0.063 0.000 1.041 227 T CB 1.438 70.328 68.868 0.037 0.000 1.028 227 T HN -0.388 8.107 8.240 0.067 -0.215 0.511 228 Y N 3.227 123.532 120.300 0.008 0.000 2.396 228 Y HA 0.077 4.651 4.550 0.041 0.000 0.332 228 Y C -0.895 175.011 175.900 0.010 0.000 1.034 228 Y CA -0.171 57.943 58.100 0.024 0.000 1.057 228 Y CB 3.147 41.623 38.460 0.026 0.000 1.220 228 Y HN 0.271 8.648 8.280 0.163 0.000 0.440 229 K N 8.240 128.441 120.400 -0.331 0.000 3.016 229 K HA -0.364 3.812 4.320 -0.241 0.000 0.262 229 K C -0.604 175.913 176.600 -0.138 0.000 1.043 229 K CA 1.007 57.110 56.287 -0.305 0.000 0.761 229 K CB -2.224 29.991 32.500 -0.474 0.000 1.230 229 K HN 0.916 9.017 8.250 -0.249 0.000 0.485 230 G N -6.692 102.070 108.800 -0.062 0.000 2.184 230 G HA2 -0.410 3.541 3.960 -0.015 0.000 0.264 230 G HA3 -0.410 3.526 3.960 -0.041 0.000 0.264 230 G C -0.603 174.281 174.900 -0.026 0.000 0.975 230 G CA -0.033 45.048 45.100 -0.033 0.000 0.642 230 G HN 0.353 8.587 8.290 -0.039 0.033 0.536 231 K N 0.737 121.124 120.400 -0.022 0.000 2.270 231 K HA 0.446 4.751 4.320 -0.025 0.000 0.255 231 K C -2.674 173.921 176.600 -0.008 0.000 0.936 231 K CA -3.600 52.677 56.287 -0.017 0.000 0.809 231 K CB 1.155 33.645 32.500 -0.017 0.000 1.131 231 K HN -0.545 7.510 8.250 -0.024 0.180 0.427 232 P HA -0.214 4.257 4.420 -0.149 -0.141 0.265 232 P C -0.672 176.570 177.300 -0.097 0.000 1.187 232 P CA 0.281 63.305 63.100 -0.127 0.000 0.766 232 P CB 0.358 31.955 31.700 -0.173 0.000 0.820 233 L N 0.534 121.670 121.223 -0.144 0.000 2.395 233 L HA -0.103 4.269 4.340 0.053 0.000 0.218 233 L C -1.055 175.868 176.870 0.087 0.000 1.130 233 L CA 1.027 55.866 54.840 -0.001 0.000 0.826 233 L CB 0.598 42.699 42.059 0.070 0.000 0.941 233 L HN 0.270 8.363 8.230 -0.228 0.000 0.451 234 F N -9.001 110.949 119.950 0.001 0.000 2.719 234 F HA 0.303 4.904 4.527 -0.021 -0.087 0.309 234 F C -1.842 173.963 175.800 0.008 0.000 1.138 234 F CA -2.028 55.965 58.000 -0.012 0.000 0.943 234 F CB 2.009 40.991 39.000 -0.030 0.000 1.304 234 F HN -1.079 6.853 8.300 -0.532 0.049 0.445 235 R N -2.579 118.024 120.500 0.172 0.000 2.476 235 R HA 0.300 4.651 4.340 0.019 0.000 0.276 235 R C -1.387 174.983 176.300 0.118 0.000 0.941 235 R CA -0.823 55.320 56.100 0.072 0.000 1.088 235 R CB 2.430 32.729 30.300 -0.001 0.000 1.216 235 R HN 0.589 8.990 8.270 0.219 0.000 0.533 236 A N -2.729 120.227 122.820 0.226 0.000 2.586 236 A HA 0.469 5.063 4.320 0.220 -0.142 0.291 236 A C -2.710 174.996 177.584 0.204 0.000 1.062 236 A CA -0.269 51.863 52.037 0.158 0.000 0.666 236 A CB 2.858 21.741 19.000 -0.194 0.000 1.281 236 A HN -0.930 7.427 8.150 0.345 0.000 0.421 237 G N -2.178 106.756 108.800 0.224 0.000 2.620 237 G HA2 0.972 5.140 3.960 -0.002 0.000 0.301 237 G HA3 0.972 4.921 3.960 -0.020 0.000 0.301 237 G C -2.878 172.076 174.900 0.091 0.000 1.347 237 G CA -0.996 44.146 45.100 0.069 0.000 0.971 237 G HN -0.175 8.309 8.290 0.323 0.000 0.488 238 I N 2.611 123.182 120.570 0.000 0.000 2.447 238 I HA 0.585 4.873 4.170 -0.154 -0.211 0.287 238 I C -1.478 174.600 176.117 -0.065 0.000 1.023 238 I CA -1.197 60.040 61.300 -0.105 0.000 1.083 238 I CB 3.520 41.353 38.000 -0.279 0.000 1.245 238 I HN 0.548 8.766 8.210 0.012 0.000 0.434 239 M N 7.419 126.969 119.600 -0.084 0.000 2.036 239 M HA 0.396 4.819 4.480 -0.095 0.000 0.337 239 M C -1.777 174.554 176.300 0.052 0.000 1.012 239 M CA -0.820 54.430 55.300 -0.084 0.000 0.962 239 M CB 1.708 34.174 32.600 -0.223 0.000 1.423 239 M HN 0.664 8.897 8.290 -0.095 0.000 0.405 240 Q N 5.504 125.392 119.800 0.146 0.000 2.423 240 Q HA 0.139 4.743 4.340 0.440 0.000 0.235 240 Q C -0.949 175.115 176.000 0.107 0.000 1.100 240 Q CA 0.004 55.975 55.803 0.280 0.000 0.908 240 Q CB -0.026 28.932 28.738 0.366 0.000 1.312 240 Q HN 0.464 8.795 8.270 0.101 0.000 0.497 241 S N 3.236 118.977 115.700 0.068 0.000 3.644 241 S HA -0.413 4.346 4.470 0.075 -0.244 0.584 241 S C -1.341 173.393 174.600 0.224 0.000 0.658 241 S CA 1.173 59.413 58.200 0.066 0.000 1.414 241 S CB -1.083 62.071 63.200 -0.077 0.000 0.901 241 S HN 0.631 8.966 8.310 0.042 0.000 0.867 242 G N -1.729 107.214 108.800 0.237 0.000 2.634 242 G HA2 -0.162 3.976 3.960 0.295 0.000 0.568 242 G HA3 -0.162 3.944 3.960 0.242 0.000 0.568 242 G C -2.818 172.056 174.900 -0.044 0.000 1.495 242 G CA -0.129 45.099 45.100 0.213 0.000 0.903 242 G HN -0.315 8.066 8.290 0.151 0.000 0.646 243 A N 3.945 126.701 122.820 -0.105 0.000 2.905 243 A HA 0.557 4.658 4.320 -0.366 0.000 0.193 243 A C -1.268 176.182 177.584 -0.223 0.000 1.268 243 A CA -1.044 50.827 52.037 -0.277 0.000 1.416 243 A CB 1.821 20.613 19.000 -0.347 0.000 1.753 243 A HN 0.407 8.526 8.150 -0.051 0.000 0.583 244 M N -0.358 119.087 119.600 -0.259 0.000 2.250 244 M HA -0.248 4.109 4.480 -0.205 0.000 0.337 244 M C 0.134 176.336 176.300 -0.162 0.000 1.161 244 M CA 0.822 55.968 55.300 -0.257 0.000 1.088 244 M CB -0.118 32.153 32.600 -0.549 0.000 1.639 244 M HN 0.014 8.133 8.290 -0.285 0.000 0.447 245 V N 3.069 122.887 119.914 -0.161 0.000 2.455 245 V HA 0.087 4.110 4.120 -0.162 0.000 0.273 245 V C -1.099 174.820 176.094 -0.292 0.000 1.045 245 V CA -2.732 59.453 62.300 -0.193 0.000 0.976 245 V CB -0.546 31.135 31.823 -0.237 0.000 0.993 245 V HN 0.030 8.123 8.190 -0.162 0.000 0.475 246 P HA 0.209 3.973 4.420 -1.094 0.000 0.225 246 P C -1.665 175.107 177.300 -0.881 0.000 1.830 246 P CA -0.498 62.197 63.100 -0.676 0.000 1.051 246 P CB -1.850 29.778 31.700 -0.119 0.000 1.929 247 S N 1.177 116.254 115.700 -1.037 0.000 2.526 247 S HA 0.235 4.543 4.470 -0.270 0.000 0.293 247 S C -1.241 173.188 174.600 -0.284 0.000 1.092 247 S CA -2.375 55.544 58.200 -0.467 0.000 0.980 247 S CB 2.804 65.838 63.200 -0.276 0.000 1.048 247 S HN -0.412 7.170 8.310 -1.148 0.040 0.483 248 D N 3.355 123.785 120.400 0.050 0.000 2.362 248 D HA 0.118 4.883 4.640 0.209 0.000 0.238 248 D C -0.579 175.746 176.300 0.043 0.000 1.212 248 D CA -0.535 53.548 54.000 0.138 0.000 0.902 248 D CB -0.374 40.544 40.800 0.196 0.000 1.180 248 D HN 0.375 8.803 8.370 0.096 0.000 0.445 249 P HA 0.007 4.577 4.420 -0.008 -0.155 0.271 249 P C 1.564 178.864 177.300 -0.001 0.000 1.244 249 P CA -0.230 62.874 63.100 0.006 0.000 0.793 249 P CB 0.900 32.602 31.700 0.003 0.000 0.984 250 V N -0.101 119.802 119.914 -0.018 0.000 2.317 250 V HA -0.469 3.638 4.120 -0.022 0.000 0.251 250 V C 0.605 176.675 176.094 -0.041 0.000 1.065 250 V CA 4.591 66.874 62.300 -0.029 0.000 1.049 250 V CB -0.167 31.632 31.823 -0.040 0.000 0.651 250 V HN 0.239 8.415 8.190 -0.023 0.000 0.450 251 D N -6.120 114.258 120.400 -0.036 0.000 2.395 251 D HA -0.004 4.599 4.640 -0.061 0.000 0.226 251 D C 0.218 176.514 176.300 -0.007 0.000 1.146 251 D CA -1.420 52.557 54.000 -0.039 0.000 0.830 251 D CB -1.509 39.264 40.800 -0.045 0.000 0.958 251 D HN -0.046 8.283 8.370 -0.030 0.023 0.501 252 G N 0.210 109.021 108.800 0.018 0.000 2.508 252 G HA2 0.056 4.045 3.960 0.048 0.000 0.278 252 G HA3 0.056 4.062 3.960 0.077 0.000 0.278 252 G C 0.497 175.440 174.900 0.071 0.000 1.389 252 G CA -0.659 44.474 45.100 0.055 0.000 1.050 252 G HN -0.447 7.668 8.290 0.015 0.183 0.522 253 T N 2.341 116.963 114.554 0.112 0.000 2.643 253 T HA -0.322 4.080 4.350 0.086 0.000 0.264 253 T C 1.528 176.318 174.700 0.150 0.000 1.045 253 T CA 4.813 66.982 62.100 0.114 0.000 1.155 253 T CB 0.073 69.009 68.868 0.113 0.000 0.863 253 T HN 0.447 8.770 8.240 0.138 0.000 0.420 254 Y N 1.043 121.346 120.300 0.006 0.000 2.395 254 Y HA -0.055 4.485 4.550 -0.017 0.000 0.293 254 Y C 1.709 177.599 175.900 -0.017 0.000 1.123 254 Y CA 2.523 60.614 58.100 -0.016 0.000 1.227 254 Y CB -0.586 37.855 38.460 -0.031 0.000 1.012 254 Y HN 0.134 8.563 8.280 0.248 0.000 0.552 255 G N -1.045 107.765 108.800 0.016 0.000 2.440 255 G HA2 -0.517 3.376 3.960 -0.112 0.000 0.218 255 G HA3 -0.517 3.424 3.960 -0.033 0.000 0.218 255 G C 1.415 176.285 174.900 -0.051 0.000 1.154 255 G CA 2.016 47.080 45.100 -0.060 0.000 0.767 255 G HN 0.495 8.835 8.290 0.084 0.000 0.552 256 N N 1.167 119.862 118.700 -0.007 0.000 2.216 256 N HA -0.281 4.502 4.740 0.071 0.000 0.183 256 N C 1.590 177.127 175.510 0.045 0.000 1.017 256 N CA 3.187 56.262 53.050 0.042 0.000 0.861 256 N CB 0.071 38.581 38.487 0.039 0.000 0.986 256 N HN -0.526 7.858 8.380 0.007 0.000 0.428 257 E N 1.672 121.860 120.200 -0.019 0.000 2.047 257 E HA -0.273 4.070 4.350 -0.013 0.000 0.191 257 E C 2.292 178.810 176.600 -0.137 0.000 0.987 257 E CA 3.051 59.420 56.400 -0.052 0.000 0.799 257 E CB 0.012 29.720 29.700 0.014 0.000 0.752 257 E HN -0.343 7.922 8.360 -0.014 0.088 0.449 258 I N -1.192 119.203 120.570 -0.291 0.000 2.252 258 I HA -0.356 3.665 4.170 -0.248 0.000 0.245 258 I C 1.647 177.744 176.117 -0.033 0.000 1.102 258 I CA 1.506 62.644 61.300 -0.270 0.000 1.385 258 I CB -1.271 36.420 38.000 -0.514 0.000 1.064 258 I HN -0.155 7.823 8.210 -0.388 0.000 0.414 259 Y N 1.350 121.585 120.300 -0.109 0.000 2.128 259 Y HA -0.593 3.972 4.550 0.025 0.000 0.284 259 Y C 1.567 177.484 175.900 0.029 0.000 1.154 259 Y CA 4.253 62.343 58.100 -0.017 0.000 1.149 259 Y CB -0.356 38.075 38.460 -0.049 0.000 0.976 259 Y HN -0.331 7.999 8.280 0.083 0.000 0.505 260 D N -1.393 119.001 120.400 -0.010 0.000 2.117 260 D HA -0.315 4.192 4.640 -0.222 0.000 0.197 260 D C 2.395 178.623 176.300 -0.121 0.000 0.987 260 D CA 3.380 57.311 54.000 -0.115 0.000 0.829 260 D CB -0.440 40.340 40.800 -0.033 0.000 0.961 260 D HN -0.167 8.254 8.370 0.085 0.000 0.460 261 L N -0.074 121.110 121.223 -0.064 0.000 2.017 261 L HA -0.305 3.994 4.340 -0.070 0.000 0.208 261 L C 1.079 177.954 176.870 0.008 0.000 1.073 261 L CA 2.854 57.670 54.840 -0.040 0.000 0.745 261 L CB -0.310 41.734 42.059 -0.026 0.000 0.894 261 L HN -0.556 7.642 8.230 -0.052 0.000 0.432 262 F N -0.039 119.837 119.950 -0.124 0.000 2.069 262 F HA -0.405 4.086 4.527 -0.059 0.000 0.298 262 F C 1.630 177.319 175.800 -0.186 0.000 1.113 262 F CA 3.489 61.418 58.000 -0.117 0.000 1.214 262 F CB -0.163 38.779 39.000 -0.097 0.000 0.978 262 F HN -0.113 8.280 8.300 0.155 0.000 0.474 263 V N -1.302 118.410 119.914 -0.337 0.000 2.282 263 V HA -0.623 3.181 4.120 -0.525 0.000 0.249 263 V C 2.132 178.037 176.094 -0.314 0.000 1.057 263 V CA 4.490 66.524 62.300 -0.444 0.000 1.032 263 V CB -1.070 30.439 31.823 -0.524 0.000 0.645 263 V HN 0.304 8.335 8.190 -0.265 0.000 0.447 264 S N 0.215 115.782 115.700 -0.222 0.000 2.368 264 S HA -0.253 4.130 4.470 -0.145 0.000 0.225 264 S C 3.030 177.545 174.600 -0.143 0.000 1.030 264 S CA 4.036 62.144 58.200 -0.153 0.000 0.999 264 S CB -0.478 62.655 63.200 -0.111 0.000 0.844 264 S HN -0.234 7.950 8.310 -0.209 0.000 0.459 265 S N 2.881 118.494 115.700 -0.145 0.000 2.423 265 S HA -0.182 4.245 4.470 -0.070 0.000 0.231 265 S C 0.752 175.251 174.600 -0.168 0.000 1.014 265 S CA 2.874 61.008 58.200 -0.111 0.000 0.965 265 S CB -0.080 63.091 63.200 -0.048 0.000 0.785 265 S HN -0.026 8.197 8.310 -0.145 0.000 0.495 266 A N -2.213 120.429 122.820 -0.297 0.000 2.238 266 A HA 0.094 4.267 4.320 -0.245 0.000 0.208 266 A C 0.342 177.813 177.584 -0.187 0.000 1.177 266 A CA -0.193 51.660 52.037 -0.306 0.000 0.804 266 A CB -0.157 18.517 19.000 -0.542 0.000 0.823 266 A HN -0.585 7.216 8.150 -0.362 0.132 0.482 267 G N -2.697 106.014 108.800 -0.148 0.000 2.136 267 G HA2 -0.237 3.672 3.960 -0.086 0.000 0.242 267 G HA3 -0.237 3.673 3.960 -0.082 0.000 0.242 267 G C 0.369 175.209 174.900 -0.100 0.000 0.989 267 G CA 0.445 45.485 45.100 -0.101 0.000 0.682 267 G HN -0.534 7.480 8.290 -0.156 0.183 0.522 268 c N -0.360 118.158 118.600 -0.136 0.000 2.778 268 c HA 0.331 4.851 4.570 -0.083 0.000 0.294 268 c C 1.214 175.239 174.090 -0.109 0.000 1.331 268 c CA -1.250 55.010 56.329 -0.116 0.000 1.741 268 c CB -1.573 40.850 42.510 -0.143 0.000 2.106 268 c HN -0.078 8.013 8.230 -0.174 0.034 0.603 269 G N 1.303 110.040 108.800 -0.105 0.000 2.471 269 G HA2 -0.213 3.681 3.960 -0.109 0.000 0.219 269 G HA3 -0.213 3.695 3.960 -0.086 0.000 0.219 269 G C 0.235 175.099 174.900 -0.060 0.000 1.125 269 G CA 1.742 46.788 45.100 -0.091 0.000 0.775 269 G HN 0.344 8.506 8.290 -0.105 0.065 0.548 270 S N -1.168 114.504 115.700 -0.047 0.000 2.605 270 S HA 0.089 4.543 4.470 -0.028 0.000 0.217 270 S C -0.864 173.723 174.600 -0.023 0.000 0.958 270 S CA 0.089 58.271 58.200 -0.030 0.000 0.919 270 S CB 0.041 63.225 63.200 -0.025 0.000 0.780 270 S HN -0.061 8.181 8.310 -0.052 0.037 0.507 271 A N 1.888 124.692 122.820 -0.027 0.000 2.401 271 A HA 0.105 4.420 4.320 -0.008 0.000 0.259 271 A C -0.192 177.392 177.584 0.001 0.000 1.103 271 A CA 0.306 52.335 52.037 -0.012 0.000 0.789 271 A CB 0.624 19.615 19.000 -0.014 0.000 1.035 271 A HN -0.674 7.376 8.150 -0.040 0.076 0.491 272 S N 1.056 116.761 115.700 0.009 0.000 2.436 272 S HA -0.178 4.302 4.470 0.017 0.000 0.228 272 S C 0.124 174.742 174.600 0.029 0.000 1.014 272 S CA 1.112 59.322 58.200 0.017 0.000 0.950 272 S CB 0.170 63.379 63.200 0.015 0.000 0.784 272 S HN 0.215 8.529 8.310 0.007 0.000 0.504 273 D N 1.344 121.763 120.400 0.032 0.000 2.458 273 D HA 0.227 4.900 4.640 0.054 0.000 0.258 273 D C -0.426 175.909 176.300 0.057 0.000 1.134 273 D CA -1.324 52.705 54.000 0.048 0.000 0.915 273 D CB -0.182 40.646 40.800 0.045 0.000 1.028 273 D HN 0.000 8.360 8.370 0.025 0.025 0.508 274 K N 3.151 123.595 120.400 0.074 0.000 2.097 274 K HA -0.263 4.067 4.320 0.018 0.000 0.205 274 K C 1.604 178.267 176.600 0.104 0.000 1.050 274 K CA 2.817 59.142 56.287 0.063 0.000 0.938 274 K CB 0.172 32.712 32.500 0.066 0.000 0.718 274 K HN 0.343 8.644 8.250 0.086 0.000 0.442 275 L N -1.761 119.558 121.223 0.159 0.000 2.056 275 L HA -0.278 4.192 4.340 0.217 0.000 0.207 275 L C 1.751 178.734 176.870 0.188 0.000 1.078 275 L CA 2.746 57.702 54.840 0.194 0.000 0.749 275 L CB -0.430 41.737 42.059 0.179 0.000 0.901 275 L HN -0.167 8.157 8.230 0.157 0.000 0.433 276 A N -1.144 121.753 122.820 0.127 0.000 1.933 276 A HA -0.334 4.056 4.320 0.117 0.000 0.218 276 A C 1.641 179.280 177.584 0.091 0.000 1.175 276 A CA 2.948 55.048 52.037 0.104 0.000 0.628 276 A CB -0.983 18.061 19.000 0.073 0.000 0.814 276 A HN -0.395 8.090 8.150 0.110 -0.269 0.444 277 c N -1.402 117.239 118.600 0.069 0.000 2.432 277 c HA -0.331 4.259 4.570 0.033 0.000 0.277 277 c C 1.894 176.015 174.090 0.053 0.000 1.249 277 c CA 3.436 59.788 56.329 0.039 0.000 1.725 277 c CB -1.410 41.102 42.510 0.003 0.000 2.028 277 c HN -0.452 7.818 8.230 0.067 0.000 0.477 278 L N -1.395 119.883 121.223 0.091 0.000 2.046 278 L HA -0.374 4.001 4.340 0.057 0.000 0.208 278 L C 3.301 180.306 176.870 0.226 0.000 1.077 278 L CA 2.887 57.823 54.840 0.159 0.000 0.747 278 L CB -0.497 41.733 42.059 0.285 0.000 0.896 278 L HN -0.102 8.184 8.230 0.094 0.000 0.432 279 R N -2.931 117.710 120.500 0.234 0.000 2.189 279 R HA -0.216 4.203 4.340 0.131 0.000 0.223 279 R C 1.774 178.127 176.300 0.089 0.000 1.092 279 R CA 2.579 58.771 56.100 0.153 0.000 0.989 279 R CB -0.086 30.299 30.300 0.141 0.000 0.876 279 R HN -0.171 8.242 8.270 0.238 0.000 0.457 280 S N -2.275 113.472 115.700 0.078 0.000 2.524 280 S HA -0.091 4.408 4.470 0.048 0.000 0.216 280 S C -0.348 174.279 174.600 0.045 0.000 0.987 280 S CA 0.218 58.449 58.200 0.052 0.000 0.909 280 S CB 0.691 63.916 63.200 0.041 0.000 0.781 280 S HN -0.650 7.556 8.310 0.087 0.156 0.521 281 A N 2.117 124.968 122.820 0.051 0.000 2.366 281 A HA 0.005 4.339 4.320 0.024 0.000 0.249 281 A C -0.309 177.309 177.584 0.056 0.000 1.084 281 A CA -0.372 51.688 52.037 0.038 0.000 0.794 281 A CB 0.938 19.950 19.000 0.020 0.000 1.034 281 A HN -0.695 7.328 8.150 0.067 0.167 0.491 282 S N 0.337 116.067 115.700 0.050 0.000 2.584 282 S HA -0.106 4.400 4.470 0.059 0.000 0.270 282 S C 1.374 176.035 174.600 0.102 0.000 1.346 282 S CA -0.561 57.677 58.200 0.063 0.000 1.018 282 S CB 0.759 63.989 63.200 0.049 0.000 0.899 282 S HN 0.262 8.594 8.310 0.036 0.000 0.542 283 S N 2.300 118.067 115.700 0.112 0.000 2.359 283 S HA -0.302 4.306 4.470 0.231 0.000 0.224 283 S C 1.701 176.413 174.600 0.187 0.000 1.035 283 S CA 3.557 61.856 58.200 0.166 0.000 1.018 283 S CB -0.501 62.764 63.200 0.108 0.000 0.876 283 S HN 0.575 8.937 8.310 0.086 0.000 0.448 284 D N -0.736 119.739 120.400 0.124 0.000 2.144 284 D HA -0.215 4.505 4.640 0.135 0.000 0.199 284 D C 2.247 178.618 176.300 0.119 0.000 0.984 284 D CA 3.006 57.077 54.000 0.117 0.000 0.834 284 D CB -0.604 40.241 40.800 0.074 0.000 0.955 284 D HN 0.154 8.582 8.370 0.096 0.000 0.465 285 T N 2.815 117.423 114.554 0.090 0.000 2.708 285 T HA -0.270 4.101 4.350 0.035 0.000 0.266 285 T C 1.844 176.579 174.700 0.059 0.000 1.037 285 T CA 4.931 67.060 62.100 0.048 0.000 1.146 285 T CB -0.119 68.756 68.868 0.011 0.000 0.865 285 T HN -0.675 7.615 8.240 0.084 0.000 0.435 286 L N 0.071 121.373 121.223 0.131 0.000 2.141 286 L HA -0.293 4.048 4.340 0.003 0.000 0.209 286 L C 1.958 178.998 176.870 0.283 0.000 1.094 286 L CA 2.946 57.886 54.840 0.167 0.000 0.763 286 L CB -0.778 41.449 42.059 0.281 0.000 0.908 286 L HN -0.495 7.831 8.230 0.159 0.000 0.437 287 L N 0.569 122.043 121.223 0.418 0.000 1.994 287 L HA -0.398 4.379 4.340 0.729 0.000 0.208 287 L C 1.355 178.393 176.870 0.279 0.000 1.071 287 L CA 3.548 58.673 54.840 0.475 0.000 0.745 287 L CB -0.555 41.722 42.059 0.363 0.000 0.892 287 L HN -0.053 8.408 8.230 0.384 0.000 0.431 288 D N -1.277 119.231 120.400 0.180 0.000 2.117 288 D HA -0.361 4.353 4.640 0.124 0.000 0.197 288 D C 2.431 178.803 176.300 0.120 0.000 0.987 288 D CA 3.435 57.509 54.000 0.123 0.000 0.829 288 D CB -0.578 40.267 40.800 0.075 0.000 0.961 288 D HN -0.119 8.352 8.370 0.168 0.000 0.460 289 A N -0.910 121.965 122.820 0.093 0.000 1.902 289 A HA -0.231 4.119 4.320 0.052 0.000 0.217 289 A C 2.604 180.356 177.584 0.279 0.000 1.181 289 A CA 2.945 55.029 52.037 0.077 0.000 0.623 289 A CB -0.580 18.285 19.000 -0.225 0.000 0.818 289 A HN -0.190 8.005 8.150 0.075 0.000 0.443 290 T N 1.316 116.068 114.554 0.330 0.000 2.788 290 T HA -0.306 4.242 4.350 0.331 0.000 0.268 290 T C 1.791 176.648 174.700 0.261 0.000 1.044 290 T CA 4.168 66.426 62.100 0.263 0.000 1.139 290 T CB -0.393 68.472 68.868 -0.006 0.000 0.867 290 T HN -0.139 8.277 8.240 0.294 0.000 0.454 291 N N 0.190 119.022 118.700 0.219 0.000 2.515 291 N HA -0.133 4.714 4.740 0.179 0.000 0.185 291 N C -0.157 175.440 175.510 0.144 0.000 1.109 291 N CA 1.439 54.592 53.050 0.171 0.000 0.903 291 N CB -0.534 38.035 38.487 0.137 0.000 0.969 291 N HN -0.282 8.125 8.380 0.217 0.103 0.450 292 N N -1.859 116.943 118.700 0.170 0.000 2.322 292 N HA 0.084 5.096 4.740 0.144 -0.186 0.194 292 N C -1.072 174.583 175.510 0.241 0.000 1.126 292 N CA -0.526 52.628 53.050 0.174 0.000 0.845 292 N CB 1.323 39.900 38.487 0.151 0.000 0.976 292 N HN -0.685 7.628 8.380 0.188 0.180 0.475 293 T N -1.666 113.033 114.554 0.243 0.000 2.885 293 T HA 0.415 4.952 4.350 0.313 0.000 0.285 293 T C -2.722 172.089 174.700 0.186 0.000 1.019 293 T CA -3.376 58.874 62.100 0.249 0.000 1.010 293 T CB 1.385 70.386 68.868 0.222 0.000 1.022 293 T HN -0.580 7.620 8.240 0.239 0.184 0.466 294 P HA -0.052 4.531 4.420 0.038 -0.141 0.268 294 P C -0.582 176.804 177.300 0.144 0.000 1.204 294 P CA -0.157 63.003 63.100 0.100 0.000 0.768 294 P CB 0.587 32.362 31.700 0.127 0.000 0.842 295 G N 0.744 109.614 108.800 0.116 0.000 2.502 295 G HA2 0.482 4.706 3.960 0.246 0.000 0.305 295 G HA3 0.482 4.735 3.960 0.057 -0.259 0.305 295 G C 0.864 175.835 174.900 0.119 0.000 1.190 295 G CA -1.640 43.541 45.100 0.134 0.000 0.933 295 G HN -0.081 8.154 8.290 0.066 0.094 0.503 296 F N -1.983 118.081 119.950 0.189 0.000 2.546 296 F HA 0.086 4.705 4.527 0.153 0.000 0.298 296 F C 0.246 176.183 175.800 0.228 0.000 1.120 296 F CA 0.434 58.548 58.000 0.191 0.000 1.456 296 F CB -0.154 38.973 39.000 0.212 0.000 1.088 296 F HN -0.195 8.338 8.300 0.198 -0.113 0.572 297 L N -2.537 118.582 121.223 -0.174 0.000 2.585 297 L HA 0.286 4.730 4.340 0.173 0.000 0.226 297 L C 0.331 177.218 176.870 0.028 0.000 1.113 297 L CA -0.836 53.990 54.840 -0.024 0.000 0.876 297 L CB -0.451 41.498 42.059 -0.183 0.000 1.072 297 L HN -0.266 7.643 8.230 -0.466 0.042 0.468 298 A N -0.766 122.070 122.820 0.026 0.000 2.346 298 A HA -0.007 4.333 4.320 0.034 0.000 0.255 298 A C 0.925 178.594 177.584 0.141 0.000 1.113 298 A CA -0.649 51.422 52.037 0.056 0.000 0.798 298 A CB 0.918 19.931 19.000 0.022 0.000 1.073 298 A HN -0.656 7.389 8.150 0.004 0.108 0.502 299 Y N 0.099 120.405 120.300 0.010 0.000 2.151 299 Y HA -0.340 4.437 4.550 0.033 -0.207 0.284 299 Y C 1.864 177.865 175.900 0.168 0.000 1.166 299 Y CA 3.556 61.686 58.100 0.051 0.000 1.163 299 Y CB -0.168 38.298 38.460 0.009 0.000 0.974 299 Y HN 0.540 8.941 8.280 0.202 0.000 0.511 300 S N -2.343 113.439 115.700 0.137 0.000 2.419 300 S HA -0.396 4.054 4.470 -0.035 0.000 0.235 300 S C 0.603 175.215 174.600 0.020 0.000 1.019 300 S CA 3.206 61.433 58.200 0.044 0.000 0.982 300 S CB -0.427 62.846 63.200 0.123 0.000 0.789 300 S HN 0.235 8.651 8.310 0.198 0.013 0.490 301 S N -0.432 115.330 115.700 0.104 0.000 3.949 301 S HA -0.437 4.400 4.470 0.231 -0.228 0.626 301 S C 0.819 175.477 174.600 0.096 0.000 2.168 301 S CA 1.764 60.056 58.200 0.154 0.000 4.124 301 S CB -1.147 62.158 63.200 0.174 0.000 0.220 301 S HN -0.429 7.833 8.310 0.128 0.124 0.750 302 L N 2.130 123.348 121.223 -0.009 0.000 2.622 302 L HA -0.056 4.232 4.340 -0.086 0.000 0.233 302 L C 0.408 177.230 176.870 -0.080 0.000 1.156 302 L CA 0.340 55.114 54.840 -0.110 0.000 0.866 302 L CB -0.632 41.261 42.059 -0.277 0.000 0.980 302 L HN 0.277 8.507 8.230 -0.000 0.000 0.448 303 R N 1.830 122.280 120.500 -0.084 0.000 3.247 303 R HA -0.153 4.132 4.340 -0.092 0.000 0.212 303 R C -1.491 174.843 176.300 0.057 0.000 1.604 303 R CA -0.605 55.440 56.100 -0.092 0.000 1.279 303 R CB -1.521 28.631 30.300 -0.246 0.000 1.277 303 R HN -0.664 7.496 8.270 -0.098 0.051 0.669 304 L N 3.801 125.068 121.223 0.072 0.000 2.439 304 L HA -0.088 4.339 4.340 0.145 0.000 0.269 304 L C 0.065 176.992 176.870 0.095 0.000 1.179 304 L CA 0.528 55.436 54.840 0.114 0.000 0.828 304 L CB 0.359 42.478 42.059 0.099 0.000 1.106 304 L HN -0.438 7.792 8.230 0.025 0.015 0.467 305 S N 1.319 116.988 115.700 -0.052 0.000 2.428 305 S HA -0.155 4.054 4.470 -0.436 0.000 0.230 305 S C -0.315 173.799 174.600 -0.809 0.000 1.014 305 S CA 2.466 60.357 58.200 -0.515 0.000 0.957 305 S CB 0.680 63.429 63.200 -0.751 0.000 0.784 305 S HN 0.063 8.501 8.310 0.028 -0.112 0.499 306 Y N -2.015 118.324 120.300 0.066 0.000 2.331 306 Y HA 0.131 4.709 4.550 0.046 0.000 0.326 306 Y C -1.257 174.585 175.900 -0.097 0.000 1.020 306 Y CA -0.922 57.213 58.100 0.058 0.000 1.136 306 Y CB 2.690 41.256 38.460 0.176 0.000 1.157 306 Y HN -0.911 7.427 8.280 -0.024 -0.072 0.444 307 L N -0.850 120.248 121.223 -0.208 0.000 2.869 307 L HA 0.505 3.989 4.340 -1.426 0.000 0.265 307 L C -3.015 173.418 176.870 -0.730 0.000 1.011 307 L CA -3.382 50.979 54.840 -0.799 0.000 0.913 307 L CB 1.533 43.301 42.059 -0.485 0.000 1.490 307 L HN -0.055 8.141 8.230 -0.056 0.000 0.410 308 P HA 0.316 4.928 4.420 -0.037 -0.214 0.268 308 P C -1.161 176.005 177.300 -0.222 0.000 1.205 308 P CA -0.263 62.612 63.100 -0.374 0.000 0.771 308 P CB 0.641 32.098 31.700 -0.405 0.000 0.858 309 R N 2.104 122.559 120.500 -0.074 0.000 2.651 309 R HA 0.564 4.834 4.340 -0.118 0.000 0.278 309 R C -2.805 173.466 176.300 -0.047 0.000 1.010 309 R CA -2.684 53.373 56.100 -0.073 0.000 0.896 309 R CB 2.923 33.199 30.300 -0.041 0.000 1.211 309 R HN -0.235 8.317 8.270 0.000 -0.281 0.456 310 P HA -0.189 4.297 4.420 -0.056 -0.100 0.264 310 P C -1.135 176.138 177.300 -0.046 0.000 1.183 310 P CA 0.393 63.465 63.100 -0.046 0.000 0.763 310 P CB 0.512 32.197 31.700 -0.024 0.000 0.807 311 D N 2.004 122.361 120.400 -0.070 0.000 2.500 311 D HA 0.077 4.686 4.640 -0.052 0.000 0.217 311 D C 0.658 176.912 176.300 -0.077 0.000 1.159 311 D CA -1.649 52.310 54.000 -0.069 0.000 0.828 311 D CB 1.923 42.680 40.800 -0.073 0.000 1.039 311 D HN 0.237 8.551 8.370 -0.092 0.000 0.512 312 G N -1.078 107.673 108.800 -0.082 0.000 2.184 312 G HA2 -0.407 3.513 3.960 -0.066 0.000 0.264 312 G HA3 -0.407 3.517 3.960 -0.060 0.000 0.264 312 G C -0.618 174.225 174.900 -0.096 0.000 0.975 312 G CA 1.266 46.322 45.100 -0.074 0.000 0.642 312 G HN -0.117 8.123 8.290 -0.083 0.000 0.536 313 K N -0.676 119.641 120.400 -0.139 0.000 2.448 313 K HA 0.159 4.403 4.320 -0.126 0.000 0.220 313 K C 0.280 176.714 176.600 -0.278 0.000 1.259 313 K CA 0.898 57.088 56.287 -0.162 0.000 0.810 313 K CB 1.482 33.905 32.500 -0.127 0.000 1.540 313 K HN -0.115 8.288 8.250 -0.154 -0.245 0.434 314 N N -2.056 116.371 118.700 -0.456 0.000 2.414 314 N HA 0.182 4.594 4.740 -0.810 -0.158 0.177 314 N C -0.374 174.647 175.510 -0.816 0.000 1.062 314 N CA 1.741 54.242 53.050 -0.915 0.000 0.890 314 N CB 2.828 40.349 38.487 -1.609 0.000 1.070 314 N HN -0.445 7.924 8.380 -0.399 -0.229 0.454 315 I N -0.222 120.068 120.570 -0.467 0.000 2.428 315 I HA 0.316 4.372 4.170 -0.190 0.000 0.279 315 I C -0.679 175.354 176.117 -0.140 0.000 1.040 315 I CA -0.568 60.601 61.300 -0.219 0.000 1.171 315 I CB 0.493 38.428 38.000 -0.108 0.000 1.312 315 I HN -0.236 8.031 8.210 -0.419 -0.309 0.470 316 T N 2.137 116.626 114.554 -0.109 0.000 3.113 316 T HA -0.064 4.226 4.350 -0.100 0.000 0.256 316 T C -0.481 174.194 174.700 -0.040 0.000 1.131 316 T CA 0.755 62.806 62.100 -0.082 0.000 1.074 316 T CB 0.635 69.460 68.868 -0.071 0.000 0.944 316 T HN 0.640 8.822 8.240 -0.096 0.000 0.516 317 D N -1.473 118.917 120.400 -0.016 0.000 2.725 317 D HA -0.038 4.608 4.640 0.010 0.000 0.292 317 D C -1.757 174.572 176.300 0.048 0.000 1.288 317 D CA -0.773 53.237 54.000 0.016 0.000 0.784 317 D CB 3.297 44.111 40.800 0.024 0.000 1.308 317 D HN -0.848 7.459 8.370 -0.019 0.051 0.429 318 D N -0.346 120.113 120.400 0.098 0.000 3.264 318 D HA -0.250 4.516 4.640 0.210 0.000 0.213 318 D C 1.503 177.909 176.300 0.178 0.000 1.112 318 D CA 1.669 55.789 54.000 0.200 0.000 0.777 318 D CB 0.439 41.396 40.800 0.263 0.000 1.156 318 D HN 0.165 8.589 8.370 0.090 0.000 0.556 319 M N 4.955 124.635 119.600 0.133 0.000 2.319 319 M HA -0.320 4.214 4.480 0.089 0.000 0.265 319 M C 2.006 178.389 176.300 0.139 0.000 1.068 319 M CA 3.777 59.133 55.300 0.093 0.000 1.118 319 M CB 0.114 32.707 32.600 -0.011 0.000 1.395 319 M HN 0.578 8.912 8.290 0.074 0.000 0.435 320 Y N -1.598 118.754 120.300 0.087 0.000 2.181 320 Y HA -0.467 4.115 4.550 0.054 0.000 0.288 320 Y C 1.553 177.527 175.900 0.123 0.000 1.146 320 Y CA 4.229 62.354 58.100 0.040 0.000 1.164 320 Y CB -0.939 37.433 38.460 -0.146 0.000 0.982 320 Y HN -0.306 8.433 8.280 0.556 -0.125 0.515 321 K N 0.052 120.608 120.400 0.261 0.000 2.097 321 K HA -0.308 4.114 4.320 0.171 0.000 0.205 321 K C 2.042 178.734 176.600 0.153 0.000 1.050 321 K CA 3.192 59.583 56.287 0.173 0.000 0.938 321 K CB -0.326 32.244 32.500 0.118 0.000 0.718 321 K HN -0.562 8.132 8.250 0.289 -0.271 0.442 322 L N -1.342 119.972 121.223 0.152 0.000 2.042 322 L HA -0.429 3.971 4.340 0.101 0.000 0.210 322 L C 1.760 178.762 176.870 0.220 0.000 1.076 322 L CA 3.172 58.098 54.840 0.144 0.000 0.749 322 L CB -0.339 41.802 42.059 0.135 0.000 0.893 322 L HN -0.151 8.172 8.230 0.156 0.000 0.432 323 V N -1.796 118.295 119.914 0.296 0.000 2.379 323 V HA -0.390 4.139 4.120 0.682 0.000 0.245 323 V C 2.947 179.267 176.094 0.376 0.000 1.044 323 V CA 3.486 66.056 62.300 0.450 0.000 1.036 323 V CB -0.876 31.184 31.823 0.394 0.000 0.664 323 V HN -0.550 7.790 8.190 0.251 0.000 0.453 324 R N 0.498 121.133 120.500 0.225 0.000 2.103 324 R HA -0.305 4.124 4.340 0.149 0.000 0.242 324 R C 1.437 177.834 176.300 0.161 0.000 1.142 324 R CA 3.070 59.258 56.100 0.147 0.000 0.960 324 R CB -0.219 30.133 30.300 0.087 0.000 0.858 324 R HN -0.245 8.165 8.270 0.233 0.000 0.439 325 D N -3.640 116.828 120.400 0.113 0.000 2.339 325 D HA 0.065 4.730 4.640 0.041 0.000 0.217 325 D C 0.020 176.287 176.300 -0.055 0.000 1.050 325 D CA 0.261 54.284 54.000 0.038 0.000 0.856 325 D CB 0.425 41.242 40.800 0.028 0.000 0.922 325 D HN -0.417 8.006 8.370 0.129 0.025 0.518 326 G N -1.424 107.302 108.800 -0.124 0.000 2.136 326 G HA2 -0.455 2.929 3.960 -0.961 0.000 0.242 326 G HA3 -0.455 3.259 3.960 -0.411 0.000 0.242 326 G C 0.044 174.456 174.900 -0.813 0.000 0.989 326 G CA 0.153 44.894 45.100 -0.598 0.000 0.682 326 G HN -0.594 7.554 8.290 0.034 0.162 0.522 327 K N 1.955 122.119 120.400 -0.393 0.000 2.758 327 K HA 0.240 4.440 4.320 -0.201 0.000 0.250 327 K C -1.580 175.013 176.600 -0.012 0.000 1.268 327 K CA -0.795 55.387 56.287 -0.176 0.000 1.228 327 K CB -1.213 31.267 32.500 -0.033 0.000 1.715 327 K HN -0.287 7.841 8.250 -0.205 0.000 0.334 328 Y N -4.353 116.055 120.300 0.181 0.000 2.615 328 Y HA 0.672 5.579 4.550 0.265 -0.199 0.341 328 Y C -1.556 174.490 175.900 0.244 0.000 1.089 328 Y CA -3.419 54.844 58.100 0.272 0.000 1.049 328 Y CB 2.085 40.810 38.460 0.442 0.000 1.296 328 Y HN -0.567 7.308 8.280 -0.569 0.064 0.470 329 A N -0.482 122.660 122.820 0.537 0.000 2.462 329 A HA 0.202 4.774 4.320 0.253 -0.100 0.243 329 A C 0.298 178.161 177.584 0.465 0.000 1.076 329 A CA -0.213 52.053 52.037 0.382 0.000 0.773 329 A CB 0.576 19.758 19.000 0.304 0.000 1.010 329 A HN -0.089 8.402 8.150 0.567 0.000 0.493 330 S N 3.365 119.229 115.700 0.274 0.000 2.955 330 S HA 0.186 4.865 4.470 0.239 -0.065 0.294 330 S C -0.929 173.795 174.600 0.206 0.000 1.198 330 S CA -0.149 58.179 58.200 0.214 0.000 1.008 330 S CB -0.414 62.848 63.200 0.103 0.000 1.279 330 S HN 0.171 8.593 8.310 0.187 0.000 0.508 331 V N 0.068 120.186 119.914 0.340 0.000 3.007 331 V HA 0.462 4.706 4.120 0.206 0.000 0.311 331 V C -2.753 173.580 176.094 0.399 0.000 1.120 331 V CA -4.629 57.855 62.300 0.308 0.000 0.980 331 V CB 1.535 33.561 31.823 0.337 0.000 1.033 331 V HN -0.647 7.840 8.190 0.494 0.000 0.429 332 P HA 0.218 5.010 4.420 0.415 -0.123 0.274 332 P C -1.531 176.096 177.300 0.546 0.000 1.231 332 P CA -0.466 62.888 63.100 0.424 0.000 0.790 332 P CB 1.142 33.074 31.700 0.386 0.000 0.951 333 V N -5.864 114.336 119.914 0.477 0.000 3.049 333 V HA 1.005 5.542 4.120 0.351 -0.206 0.309 333 V C -1.840 174.230 176.094 -0.041 0.000 1.148 333 V CA -3.106 59.345 62.300 0.251 0.000 0.990 333 V CB 3.956 35.822 31.823 0.070 0.000 1.039 333 V HN 0.277 8.719 8.190 0.420 0.000 0.430 334 I N 2.064 122.468 120.570 -0.277 0.000 2.404 334 I HA 0.782 5.065 4.170 -0.180 -0.221 0.293 334 I C -1.381 174.687 176.117 -0.082 0.000 0.992 334 I CA -1.412 59.723 61.300 -0.275 0.000 1.149 334 I CB 2.506 40.195 38.000 -0.518 0.000 1.315 334 I HN -0.009 8.075 8.210 -0.210 0.000 0.446 335 I N 5.722 126.290 120.570 -0.002 0.000 2.656 335 I HA 0.919 5.248 4.170 -0.066 -0.199 0.292 335 I C -2.351 173.607 176.117 -0.265 0.000 1.144 335 I CA -2.460 58.786 61.300 -0.091 0.000 1.038 335 I CB 4.177 42.083 38.000 -0.156 0.000 1.244 335 I HN 0.532 8.770 8.210 0.046 0.000 0.420 336 G N 4.692 113.123 108.800 -0.614 0.000 2.721 336 G HA2 0.637 4.178 3.960 -0.791 0.000 0.296 336 G HA3 0.637 2.733 3.960 -3.167 -0.037 0.296 336 G C -3.163 171.326 174.900 -0.685 0.000 1.383 336 G CA -0.029 44.278 45.100 -1.321 0.000 0.788 336 G HN 0.418 8.488 8.290 -0.366 0.000 0.500 337 D N -2.540 117.581 120.400 -0.464 0.000 2.570 337 D HA 0.589 5.329 4.640 0.005 -0.097 0.244 337 D C -1.264 175.130 176.300 0.158 0.000 1.178 337 D CA -0.859 53.123 54.000 -0.030 0.000 0.881 337 D CB 5.235 46.073 40.800 0.063 0.000 1.453 337 D HN -0.123 7.884 8.370 -0.605 0.000 0.447 338 Q N -1.152 118.743 119.800 0.158 0.000 2.243 338 Q HA 0.261 4.722 4.340 0.200 0.000 0.252 338 Q C 0.616 176.712 176.000 0.160 0.000 0.909 338 Q CA -1.384 54.517 55.803 0.163 0.000 0.922 338 Q CB 0.823 29.622 28.738 0.102 0.000 1.215 338 Q HN 0.102 8.761 8.270 0.115 -0.320 0.427 339 N N 3.737 122.530 118.700 0.155 0.000 2.149 339 N HA -0.314 4.500 4.740 0.122 0.000 0.188 339 N C 0.077 175.763 175.510 0.294 0.000 1.019 339 N CA 3.021 56.175 53.050 0.173 0.000 0.857 339 N CB 0.531 39.106 38.487 0.147 0.000 0.997 339 N HN 0.266 8.733 8.380 0.145 0.000 0.426 340 D N -2.677 117.866 120.400 0.238 0.000 3.068 340 D HA 0.320 5.087 4.640 0.213 0.000 0.327 340 D C 0.259 176.686 176.300 0.211 0.000 1.361 340 D CA -0.999 53.121 54.000 0.201 0.000 0.877 340 D CB -0.649 40.230 40.800 0.132 0.000 1.088 340 D HN -0.417 8.044 8.370 0.199 0.028 0.489 341 E N 0.590 120.936 120.200 0.244 0.000 2.130 341 E HA -0.330 4.167 4.350 0.245 0.000 0.196 341 E C 1.692 178.488 176.600 0.326 0.000 0.998 341 E CA 2.881 59.427 56.400 0.243 0.000 0.806 341 E CB -0.465 29.341 29.700 0.177 0.000 0.738 341 E HN -0.618 7.836 8.360 0.261 0.063 0.459 342 G N -3.500 105.484 108.800 0.307 0.000 2.712 342 G HA2 0.008 4.314 3.960 0.577 0.000 0.212 342 G HA3 0.008 4.373 3.960 0.257 -0.250 0.212 342 G C 0.662 175.689 174.900 0.213 0.000 1.142 342 G CA 0.644 45.952 45.100 0.346 0.000 0.789 342 G HN 0.217 8.629 8.290 0.256 0.031 0.535 343 T N 0.893 115.508 114.554 0.101 0.000 2.777 343 T HA -0.266 4.052 4.350 -0.053 0.000 0.266 343 T C 1.491 176.278 174.700 0.145 0.000 1.040 343 T CA 3.597 65.747 62.100 0.083 0.000 1.141 343 T CB -0.332 68.617 68.868 0.135 0.000 0.868 343 T HN -0.619 7.645 8.240 0.124 0.050 0.444 344 I N 1.083 121.608 120.570 -0.074 0.000 2.286 344 I HA -0.382 3.731 4.170 -0.095 0.000 0.248 344 I C 2.516 178.501 176.117 -0.220 0.000 1.115 344 I CA 3.097 64.251 61.300 -0.244 0.000 1.392 344 I CB -0.123 37.595 38.000 -0.471 0.000 1.065 344 I HN -0.259 7.896 8.210 -0.091 0.000 0.418 345 F N -0.562 119.516 119.950 0.213 0.000 2.259 345 F HA -0.067 4.588 4.527 0.213 0.000 0.298 345 F C 2.441 178.359 175.800 0.197 0.000 1.088 345 F CA 1.163 59.284 58.000 0.202 0.000 1.358 345 F CB -1.080 38.031 39.000 0.184 0.000 1.040 345 F HN -0.871 7.191 8.300 -0.370 0.016 0.505 346 G N -1.757 107.245 108.800 0.336 0.000 2.498 346 G HA2 -0.278 3.847 3.960 0.274 0.000 0.219 346 G HA3 -0.278 3.840 3.960 0.264 0.000 0.219 346 G C 0.699 175.852 174.900 0.421 0.000 1.119 346 G CA 1.638 46.939 45.100 0.334 0.000 0.766 346 G HN 0.037 8.506 8.290 0.298 0.000 0.552 347 L N -0.970 120.447 121.223 0.323 0.000 2.465 347 L HA -0.142 4.234 4.340 0.059 0.000 0.224 347 L C 1.295 178.219 176.870 0.089 0.000 1.145 347 L CA 1.445 56.358 54.840 0.123 0.000 0.834 347 L CB -0.368 41.702 42.059 0.019 0.000 0.944 347 L HN -0.801 7.449 8.230 0.300 0.160 0.451 348 S N -1.868 113.915 115.700 0.139 0.000 2.558 348 S HA 0.064 4.591 4.470 0.095 0.000 0.217 348 S C -0.280 174.379 174.600 0.097 0.000 0.975 348 S CA 1.698 59.970 58.200 0.120 0.000 0.912 348 S CB 0.705 64.007 63.200 0.170 0.000 0.776 348 S HN -0.437 7.810 8.310 0.190 0.177 0.526 349 S N -0.377 115.339 115.700 0.026 0.000 2.751 349 S HA 0.389 4.899 4.470 0.067 0.000 0.247 349 S C 0.008 174.580 174.600 -0.046 0.000 1.103 349 S CA -1.282 56.860 58.200 -0.097 0.000 1.090 349 S CB -0.259 62.557 63.200 -0.641 0.000 0.928 349 S HN -0.737 7.555 8.310 0.065 0.057 0.502 350 L N 0.632 121.855 121.223 -0.000 0.000 2.622 350 L HA -0.129 4.215 4.340 0.007 0.000 0.233 350 L C 0.139 176.989 176.870 -0.034 0.000 1.156 350 L CA 1.200 56.030 54.840 -0.017 0.000 0.866 350 L CB -0.645 41.383 42.059 -0.052 0.000 0.980 350 L HN 0.011 8.249 8.230 0.013 0.000 0.448 351 N N -2.960 115.714 118.700 -0.043 0.000 2.461 351 N HA -0.089 4.617 4.740 -0.055 0.000 0.188 351 N C -0.083 175.393 175.510 -0.056 0.000 1.134 351 N CA 0.086 53.099 53.050 -0.062 0.000 0.878 351 N CB -0.458 37.966 38.487 -0.105 0.000 0.972 351 N HN -0.258 8.056 8.380 -0.032 0.047 0.456 352 V N 2.815 122.692 119.914 -0.061 0.000 2.353 352 V HA 0.014 4.099 4.120 -0.059 0.000 0.264 352 V C -0.387 175.685 176.094 -0.036 0.000 1.049 352 V CA 0.596 62.851 62.300 -0.076 0.000 0.896 352 V CB -1.725 29.987 31.823 -0.186 0.000 1.025 352 V HN -0.283 7.692 8.190 -0.064 0.177 0.475 353 T N 4.591 119.134 114.554 -0.017 0.000 2.969 353 T HA 0.258 4.619 4.350 0.018 0.000 0.258 353 T C 0.319 175.030 174.700 0.018 0.000 0.962 353 T CA 0.080 62.184 62.100 0.007 0.000 0.903 353 T CB 2.246 71.117 68.868 0.004 0.000 1.177 353 T HN 0.891 9.496 8.240 -0.020 -0.378 0.511 354 T N 0.202 114.763 114.554 0.013 0.000 2.949 354 T HA 0.234 4.605 4.350 0.034 0.000 0.287 354 T C 0.268 174.988 174.700 0.033 0.000 1.034 354 T CA -1.956 60.160 62.100 0.027 0.000 1.018 354 T CB 3.324 72.206 68.868 0.024 0.000 1.135 354 T HN -0.607 7.866 8.240 0.003 -0.231 0.532 355 N N 1.114 119.845 118.700 0.052 0.000 2.166 355 N HA -0.266 4.523 4.740 0.082 0.000 0.186 355 N C 2.148 177.697 175.510 0.065 0.000 1.019 355 N CA 3.542 56.635 53.050 0.072 0.000 0.856 355 N CB -0.953 37.585 38.487 0.086 0.000 0.993 355 N HN 0.443 8.854 8.380 0.052 0.000 0.426 356 A N -0.587 122.264 122.820 0.052 0.000 1.933 356 A HA -0.305 4.053 4.320 0.064 0.000 0.218 356 A C 1.877 179.484 177.584 0.039 0.000 1.175 356 A CA 3.138 55.206 52.037 0.050 0.000 0.628 356 A CB -0.502 18.523 19.000 0.042 0.000 0.814 356 A HN 0.296 8.475 8.150 0.048 0.000 0.444 357 Q N -1.137 118.676 119.800 0.021 0.000 2.083 357 Q HA -0.328 4.027 4.340 0.024 0.000 0.198 357 Q C 2.435 178.420 176.000 -0.025 0.000 0.969 357 Q CA 2.868 58.676 55.803 0.009 0.000 0.838 357 Q CB 0.015 28.750 28.738 -0.004 0.000 0.900 357 Q HN -0.555 7.727 8.270 0.020 0.000 0.436 358 A N -0.080 122.700 122.820 -0.067 0.000 1.902 358 A HA -0.329 3.791 4.320 -0.333 0.000 0.217 358 A C 1.624 179.041 177.584 -0.278 0.000 1.181 358 A CA 3.171 55.059 52.037 -0.248 0.000 0.623 358 A CB -0.848 18.053 19.000 -0.165 0.000 0.818 358 A HN 0.188 8.320 8.150 -0.030 0.000 0.443 359 R N -0.478 120.033 120.500 0.018 0.000 2.083 359 R HA -0.334 4.210 4.340 0.340 0.000 0.237 359 R C 1.950 178.321 176.300 0.118 0.000 1.137 359 R CA 3.305 59.505 56.100 0.167 0.000 0.951 359 R CB -0.003 30.393 30.300 0.160 0.000 0.851 359 R HN -0.067 8.228 8.270 0.041 0.000 0.434 360 A N -1.516 121.344 122.820 0.067 0.000 1.933 360 A HA -0.241 4.122 4.320 0.073 0.000 0.218 360 A C 1.966 179.594 177.584 0.073 0.000 1.175 360 A CA 2.889 54.969 52.037 0.072 0.000 0.628 360 A CB -1.018 18.024 19.000 0.070 0.000 0.814 360 A HN -0.325 7.857 8.150 0.053 0.000 0.444 361 Y N 0.177 120.399 120.300 -0.130 0.000 2.145 361 Y HA -0.376 4.090 4.550 -0.140 0.000 0.286 361 Y C 1.677 177.449 175.900 -0.214 0.000 1.145 361 Y CA 2.368 60.338 58.100 -0.216 0.000 1.148 361 Y CB -0.046 38.208 38.460 -0.342 0.000 0.981 361 Y HN -0.369 7.953 8.280 0.070 0.000 0.507 362 F N -2.438 117.444 119.950 -0.113 0.000 2.134 362 F HA -0.459 3.748 4.527 -0.534 0.000 0.299 362 F C 2.171 177.862 175.800 -0.181 0.000 1.097 362 F CA 2.896 60.775 58.000 -0.203 0.000 1.264 362 F CB -0.807 38.281 39.000 0.147 0.000 1.001 362 F HN 0.106 8.265 8.300 -0.235 0.000 0.479 363 K N -1.175 119.299 120.400 0.123 0.000 2.097 363 K HA -0.337 4.040 4.320 0.096 0.000 0.205 363 K C 2.106 178.660 176.600 -0.076 0.000 1.050 363 K CA 3.032 59.350 56.287 0.051 0.000 0.938 363 K CB -0.277 32.260 32.500 0.061 0.000 0.718 363 K HN -0.052 8.290 8.250 0.154 0.000 0.442 364 Q N -1.458 118.268 119.800 -0.123 0.000 2.119 364 Q HA -0.240 4.026 4.340 -0.123 0.000 0.201 364 Q C 1.917 177.721 176.000 -0.326 0.000 0.972 364 Q CA 2.583 58.285 55.803 -0.168 0.000 0.847 364 Q CB 0.026 28.718 28.738 -0.077 0.000 0.903 364 Q HN -0.325 7.890 8.270 -0.092 0.000 0.433 365 S N -1.010 114.367 115.700 -0.538 0.000 2.414 365 S HA -0.118 3.974 4.470 -0.631 0.000 0.227 365 S C 0.688 174.930 174.600 -0.597 0.000 1.022 365 S CA 2.900 60.642 58.200 -0.763 0.000 0.958 365 S CB 0.923 63.361 63.200 -1.270 0.000 0.797 365 S HN -0.536 7.420 8.310 -0.555 0.021 0.493 366 F N 0.143 119.990 119.950 -0.171 0.000 2.371 366 F HA 0.370 4.792 4.527 -0.175 0.000 0.343 366 F C 0.380 176.020 175.800 -0.267 0.000 1.150 366 F CA -2.557 55.334 58.000 -0.181 0.000 1.220 366 F CB -1.789 37.144 39.000 -0.111 0.000 1.475 366 F HN -0.351 7.742 8.300 -0.345 0.000 0.521 367 I N -1.561 118.867 120.570 -0.236 0.000 2.916 367 I HA -0.137 3.904 4.170 -0.215 0.000 0.267 367 I C -0.427 175.468 176.117 -0.369 0.000 1.263 367 I CA 1.776 62.874 61.300 -0.336 0.000 1.471 367 I CB -0.060 37.685 38.000 -0.424 0.000 1.089 367 I HN -0.125 7.924 8.210 -0.267 0.000 0.468 368 H N -2.944 116.060 119.070 -0.110 0.000 2.575 368 H HA 0.152 4.628 4.556 -0.132 0.000 0.267 368 H C -0.352 174.821 175.328 -0.259 0.000 0.966 368 H CA -0.240 55.705 56.048 -0.172 0.000 1.165 368 H CB 0.254 29.896 29.762 -0.200 0.000 1.433 368 H HN -0.115 7.901 8.280 -0.336 0.063 0.544 369 A N 0.204 122.884 122.820 -0.233 0.000 2.366 369 A HA 0.175 4.385 4.320 -0.469 -0.171 0.272 369 A C -0.215 177.265 177.584 -0.174 0.000 1.135 369 A CA -0.889 50.925 52.037 -0.372 0.000 0.804 369 A CB 0.806 19.453 19.000 -0.587 0.000 1.064 369 A HN -0.767 7.216 8.150 -0.197 0.050 0.499 370 S N 3.977 119.588 115.700 -0.148 0.000 2.624 370 S HA -0.039 4.397 4.470 -0.056 0.000 0.263 370 S C 1.096 175.679 174.600 -0.029 0.000 1.287 370 S CA -0.979 57.180 58.200 -0.069 0.000 0.990 370 S CB 1.651 64.814 63.200 -0.061 0.000 0.950 370 S HN 0.218 8.767 8.310 -0.189 -0.352 0.561 371 D N 1.916 122.315 120.400 -0.002 0.000 2.149 371 D HA -0.263 4.401 4.640 0.041 0.000 0.198 371 D C 1.975 178.294 176.300 0.033 0.000 0.990 371 D CA 3.861 57.877 54.000 0.026 0.000 0.839 371 D CB -0.643 40.173 40.800 0.027 0.000 0.948 371 D HN 0.540 8.906 8.370 -0.006 0.000 0.460 372 A N -0.909 121.921 122.820 0.017 0.000 1.933 372 A HA -0.185 4.155 4.320 0.033 0.000 0.218 372 A C 2.294 179.900 177.584 0.036 0.000 1.175 372 A CA 2.886 54.937 52.037 0.024 0.000 0.628 372 A CB -0.413 18.593 19.000 0.011 0.000 0.814 372 A HN 0.092 8.236 8.150 0.005 0.009 0.444 373 E N -1.010 119.201 120.200 0.019 0.000 2.150 373 E HA -0.286 4.109 4.350 0.076 0.000 0.193 373 E C 2.587 179.269 176.600 0.137 0.000 0.985 373 E CA 2.786 59.218 56.400 0.054 0.000 0.814 373 E CB -0.068 29.596 29.700 -0.059 0.000 0.752 373 E HN -0.585 7.687 8.360 -0.008 0.083 0.466 374 I N 0.056 120.689 120.570 0.106 0.000 2.315 374 I HA -0.424 3.870 4.170 0.206 0.000 0.248 374 I C 1.857 178.060 176.117 0.144 0.000 1.117 374 I CA 2.916 64.312 61.300 0.161 0.000 1.404 374 I CB -1.234 36.868 38.000 0.169 0.000 1.071 374 I HN -0.037 8.210 8.210 0.060 0.000 0.419 375 D N 0.623 121.088 120.400 0.109 0.000 2.104 375 D HA -0.275 4.432 4.640 0.113 0.000 0.194 375 D C 2.824 179.179 176.300 0.092 0.000 0.994 375 D CA 3.725 57.784 54.000 0.099 0.000 0.830 375 D CB -0.719 40.124 40.800 0.073 0.000 0.959 375 D HN 0.151 8.576 8.370 0.093 0.000 0.452 376 T N 2.162 116.766 114.554 0.082 0.000 2.746 376 T HA -0.319 4.065 4.350 0.055 0.000 0.267 376 T C 2.016 176.759 174.700 0.072 0.000 1.039 376 T CA 4.256 66.396 62.100 0.067 0.000 1.142 376 T CB -0.047 68.857 68.868 0.060 0.000 0.866 376 T HN -0.257 8.033 8.240 0.082 0.000 0.444 377 L N 2.480 123.756 121.223 0.088 0.000 2.017 377 L HA -0.328 4.050 4.340 0.063 0.000 0.208 377 L C 1.154 178.095 176.870 0.119 0.000 1.073 377 L CA 3.582 58.459 54.840 0.061 0.000 0.745 377 L CB -0.238 41.800 42.059 -0.035 0.000 0.894 377 L HN -0.244 8.055 8.230 0.114 0.000 0.432 378 M N -3.061 116.616 119.600 0.127 0.000 2.476 378 M HA -0.214 4.401 4.480 0.225 0.000 0.262 378 M C 2.472 178.866 176.300 0.157 0.000 1.079 378 M CA 3.233 58.646 55.300 0.189 0.000 1.104 378 M CB 0.013 32.753 32.600 0.234 0.000 1.409 378 M HN -0.107 8.258 8.290 0.124 0.000 0.467 379 A N -0.214 122.671 122.820 0.109 0.000 1.897 379 A HA -0.155 4.213 4.320 0.080 0.000 0.215 379 A C 1.246 178.854 177.584 0.040 0.000 1.181 379 A CA 2.660 54.741 52.037 0.073 0.000 0.620 379 A CB -0.720 18.312 19.000 0.054 0.000 0.821 379 A HN -0.064 8.148 8.150 0.103 0.000 0.443 380 A N -2.007 120.821 122.820 0.013 0.000 1.968 380 A HA -0.129 4.118 4.320 -0.123 0.000 0.217 380 A C 0.399 177.809 177.584 -0.290 0.000 1.169 380 A CA 1.456 53.413 52.037 -0.134 0.000 0.638 380 A CB 0.841 19.739 19.000 -0.170 0.000 0.812 380 A HN -0.601 7.577 8.150 0.047 0.000 0.446 381 Y N -2.175 118.161 120.300 0.061 0.000 2.919 381 Y HA 0.363 4.985 4.550 0.119 0.000 0.341 381 Y C -2.374 173.599 175.900 0.122 0.000 1.045 381 Y CA -2.984 55.174 58.100 0.096 0.000 1.218 381 Y CB -0.006 38.495 38.460 0.069 0.000 1.137 381 Y HN -0.573 7.816 8.280 0.182 0.000 0.577 382 P HA 0.298 4.980 4.420 0.169 -0.160 0.276 382 P C -0.237 177.172 177.300 0.182 0.000 1.261 382 P CA -1.205 61.995 63.100 0.166 0.000 0.800 382 P CB 1.607 33.373 31.700 0.110 0.000 1.066 383 Q N -0.456 119.438 119.800 0.156 0.000 2.124 383 Q HA -0.396 4.041 4.340 0.162 0.000 0.202 383 Q C -0.116 175.958 176.000 0.123 0.000 0.977 383 Q CA 2.419 58.308 55.803 0.143 0.000 0.850 383 Q CB -0.287 28.522 28.738 0.119 0.000 0.901 383 Q HN 0.289 8.645 8.270 0.144 0.000 0.429 384 D N -1.654 118.811 120.400 0.107 0.000 3.659 384 D HA -0.181 4.508 4.640 0.082 0.000 0.218 384 D C 1.421 177.780 176.300 0.097 0.000 1.220 384 D CA 0.647 54.702 54.000 0.092 0.000 0.803 384 D CB -0.304 40.545 40.800 0.083 0.000 1.180 384 D HN -0.157 8.259 8.370 0.105 0.017 0.610 385 I N -0.033 120.591 120.570 0.090 0.000 2.567 385 I HA -0.218 4.010 4.170 0.097 0.000 0.257 385 I C 1.244 177.410 176.117 0.081 0.000 1.184 385 I CA 1.765 63.121 61.300 0.092 0.000 1.451 385 I CB 0.024 38.083 38.000 0.099 0.000 1.089 385 I HN 0.157 8.418 8.210 0.084 0.000 0.441 386 T N -1.217 113.380 114.554 0.072 0.000 2.995 386 T HA -0.206 4.403 4.350 0.046 -0.231 0.269 386 T C 1.536 176.293 174.700 0.095 0.000 1.091 386 T CA 2.706 64.842 62.100 0.060 0.000 1.128 386 T CB -0.062 68.829 68.868 0.039 0.000 0.891 386 T HN -0.291 8.195 8.240 0.071 -0.204 0.492 387 Q N -0.391 119.481 119.800 0.120 0.000 2.392 387 Q HA 0.072 4.522 4.340 0.183 0.000 0.203 387 Q C 0.207 176.369 176.000 0.269 0.000 0.917 387 Q CA 0.095 56.005 55.803 0.178 0.000 0.939 387 Q CB 0.703 29.530 28.738 0.148 0.000 1.063 387 Q HN -0.505 7.673 8.270 0.110 0.158 0.516 388 G N -2.864 106.026 108.800 0.150 0.000 2.531 388 G HA2 0.299 4.365 3.960 0.177 0.000 0.281 388 G HA3 0.299 4.262 3.960 -0.011 -0.010 0.281 388 G C -2.230 172.442 174.900 -0.379 0.000 1.382 388 G CA -1.407 43.709 45.100 0.027 0.000 1.045 388 G HN -0.851 7.454 8.290 0.109 0.051 0.533 389 S N -1.058 114.212 115.700 -0.717 0.000 2.462 389 S HA 0.593 4.345 4.470 -1.381 -0.111 0.294 389 S C -1.989 172.317 174.600 -0.490 0.000 1.144 389 S CA -3.811 53.767 58.200 -1.038 0.000 1.088 389 S CB 1.231 63.759 63.200 -1.120 0.000 1.009 389 S HN -0.146 7.771 8.310 -0.503 0.091 0.484 390 P HA -0.069 4.444 4.420 -0.215 -0.222 0.266 390 P C -0.635 176.567 177.300 -0.163 0.000 1.215 390 P CA 0.020 63.017 63.100 -0.172 0.000 0.763 390 P CB -0.076 31.650 31.700 0.044 0.000 0.806 391 F N 4.694 124.676 119.950 0.053 0.000 2.506 391 F HA -0.137 4.605 4.527 0.037 -0.192 0.351 391 F C 0.960 176.774 175.800 0.024 0.000 1.136 391 F CA 1.455 59.473 58.000 0.031 0.000 1.298 391 F CB 0.521 39.520 39.000 -0.002 0.000 1.145 391 F HN 0.142 8.668 8.300 -0.185 -0.337 0.593 392 D N -2.979 117.554 120.400 0.221 0.000 2.907 392 D HA -0.233 4.456 4.640 0.081 0.000 0.226 392 D C -0.334 175.990 176.300 0.039 0.000 1.141 392 D CA 1.471 55.533 54.000 0.103 0.000 0.779 392 D CB -1.200 39.655 40.800 0.092 0.000 1.095 392 D HN 0.544 9.076 8.370 0.269 0.000 0.430 393 T N -5.584 108.986 114.554 0.026 0.000 3.132 393 T HA 0.232 4.530 4.350 -0.086 0.000 0.274 393 T C 0.500 175.086 174.700 -0.190 0.000 1.011 393 T CA -1.163 60.913 62.100 -0.040 0.000 0.899 393 T CB 0.822 69.757 68.868 0.111 0.000 1.089 393 T HN -0.253 7.994 8.240 0.055 0.026 0.543 394 G N 2.686 111.405 108.800 -0.135 0.000 2.611 394 G HA2 -0.459 3.446 3.960 -0.091 0.000 0.301 394 G HA3 -0.459 3.329 3.960 -0.287 0.000 0.301 394 G C 0.133 174.987 174.900 -0.076 0.000 1.233 394 G CA 1.003 46.005 45.100 -0.162 0.000 0.993 394 G HN -0.048 8.204 8.290 -0.064 0.000 0.553 395 I N -1.404 119.121 120.570 -0.075 0.000 3.684 395 I HA -0.007 4.214 4.170 0.084 0.000 0.304 395 I C -0.645 175.625 176.117 0.254 0.000 1.278 395 I CA 0.472 61.824 61.300 0.086 0.000 1.272 395 I CB -0.611 37.449 38.000 0.100 0.000 1.029 395 I HN -0.210 7.896 8.210 -0.173 0.000 0.458 396 F N 3.510 123.495 119.950 0.057 0.000 2.440 396 F HA 0.019 4.576 4.527 0.050 0.000 0.323 396 F C -0.016 175.832 175.800 0.079 0.000 1.192 396 F CA -1.440 56.595 58.000 0.058 0.000 1.252 396 F CB -0.710 38.323 39.000 0.055 0.000 1.214 396 F HN -0.370 7.897 8.300 0.060 0.069 0.578 397 N N -4.957 113.901 118.700 0.264 0.000 2.850 397 N HA -0.397 4.434 4.740 0.153 0.000 0.249 397 N C -1.049 174.609 175.510 0.247 0.000 1.060 397 N CA 1.179 54.363 53.050 0.224 0.000 0.825 397 N CB -1.805 36.848 38.487 0.277 0.000 1.132 397 N HN 0.526 9.031 8.380 0.209 0.000 0.564 398 A N -1.449 121.483 122.820 0.187 0.000 3.063 398 A HA 0.054 4.515 4.320 0.234 0.000 0.263 398 A C -0.097 177.547 177.584 0.100 0.000 1.736 398 A CA -0.735 51.406 52.037 0.173 0.000 1.408 398 A CB -1.429 17.653 19.000 0.136 0.000 1.108 398 A HN -0.109 8.096 8.150 0.172 0.048 0.621 399 I N -0.737 119.862 120.570 0.048 0.000 2.208 399 I HA -0.380 3.733 4.170 -0.095 0.000 0.245 399 I C 0.208 176.310 176.117 -0.024 0.000 1.097 399 I CA 2.173 63.415 61.300 -0.097 0.000 1.363 399 I CB 0.164 37.927 38.000 -0.394 0.000 1.051 399 I HN -0.152 8.066 8.210 0.109 0.057 0.413 400 T N -6.193 108.400 114.554 0.064 0.000 2.865 400 T HA 0.362 4.738 4.350 0.044 0.000 0.294 400 T C -1.654 173.116 174.700 0.118 0.000 1.119 400 T CA -2.801 59.343 62.100 0.074 0.000 1.007 400 T CB 0.812 69.719 68.868 0.066 0.000 1.225 400 T HN -0.779 7.542 8.240 0.136 0.000 0.515 401 P HA 0.000 4.480 4.420 0.100 0.000 0.230 401 P C -0.768 176.598 177.300 0.110 0.000 1.158 401 P CA 1.484 64.641 63.100 0.095 0.000 0.769 401 P CB 0.160 31.903 31.700 0.071 0.000 0.807 402 Q N -6.243 113.627 119.800 0.117 0.000 2.280 402 Q HA 0.111 4.522 4.340 0.117 0.000 0.228 402 Q C 0.987 177.071 176.000 0.140 0.000 0.857 402 Q CA -0.620 55.251 55.803 0.114 0.000 0.939 402 Q CB 0.753 29.528 28.738 0.061 0.000 1.114 402 Q HN -0.668 7.612 8.270 0.115 0.059 0.514 403 F N 3.416 123.389 119.950 0.039 0.000 2.095 403 F HA -0.350 4.194 4.527 0.028 0.000 0.298 403 F C 0.676 176.508 175.800 0.054 0.000 1.104 403 F CA 3.842 61.863 58.000 0.035 0.000 1.232 403 F CB -0.119 38.892 39.000 0.019 0.000 0.987 403 F HN -0.546 7.929 8.300 0.292 0.000 0.475 404 K N -2.285 117.971 120.400 -0.240 0.000 2.148 404 K HA -0.256 3.783 4.320 -0.763 -0.177 0.204 404 K C 2.451 178.940 176.600 -0.186 0.000 1.050 404 K CA 3.072 59.129 56.287 -0.383 0.000 0.942 404 K CB -0.567 31.857 32.500 -0.128 0.000 0.724 404 K HN 0.179 8.462 8.250 0.054 0.000 0.446 405 R N 0.723 121.224 120.500 0.001 0.000 2.066 405 R HA -0.273 4.177 4.340 0.183 0.000 0.232 405 R C 1.884 178.281 176.300 0.161 0.000 1.131 405 R CA 3.297 59.483 56.100 0.144 0.000 0.955 405 R CB -0.419 30.011 30.300 0.217 0.000 0.851 405 R HN -0.304 7.982 8.270 0.028 0.000 0.432 406 I N -0.866 119.789 120.570 0.143 0.000 2.252 406 I HA -0.473 3.948 4.170 0.419 0.000 0.245 406 I C 1.778 177.958 176.117 0.105 0.000 1.102 406 I CA 3.942 65.377 61.300 0.226 0.000 1.385 406 I CB -0.179 37.933 38.000 0.186 0.000 1.064 406 I HN 0.146 8.412 8.210 0.093 0.000 0.414 407 S N 0.270 115.920 115.700 -0.083 0.000 2.370 407 S HA -0.336 4.142 4.470 0.012 0.000 0.226 407 S C 1.723 176.304 174.600 -0.031 0.000 1.033 407 S CA 4.005 62.135 58.200 -0.116 0.000 1.011 407 S CB -0.593 62.342 63.200 -0.442 0.000 0.852 407 S HN -0.176 8.015 8.310 -0.199 0.000 0.457 408 A N 1.459 124.252 122.820 -0.045 0.000 1.902 408 A HA -0.307 4.131 4.320 0.198 0.000 0.217 408 A C 1.625 179.209 177.584 0.001 0.000 1.181 408 A CA 2.990 55.106 52.037 0.133 0.000 0.623 408 A CB -0.796 18.415 19.000 0.353 0.000 0.818 408 A HN -0.510 7.589 8.150 -0.085 0.000 0.443 409 V N -1.033 118.737 119.914 -0.239 0.000 2.295 409 V HA -0.498 3.022 4.120 -1.001 0.000 0.246 409 V C 2.039 178.037 176.094 -0.160 0.000 1.049 409 V CA 4.345 66.339 62.300 -0.509 0.000 1.024 409 V CB -0.615 30.956 31.823 -0.420 0.000 0.648 409 V HN -0.439 7.678 8.190 -0.121 0.000 0.447 410 L N -1.263 119.973 121.223 0.021 0.000 2.012 410 L HA -0.423 3.946 4.340 0.049 0.000 0.210 410 L C 2.436 179.359 176.870 0.088 0.000 1.073 410 L CA 3.433 58.317 54.840 0.072 0.000 0.748 410 L CB -0.716 41.440 42.059 0.163 0.000 0.891 410 L HN 0.097 8.362 8.230 0.058 0.000 0.431 411 G N -2.429 106.486 108.800 0.191 0.000 2.418 411 G HA2 -0.412 3.868 3.960 0.533 0.000 0.217 411 G HA3 -0.412 3.754 3.960 0.344 0.000 0.217 411 G C 0.862 175.919 174.900 0.261 0.000 1.158 411 G CA 2.163 47.469 45.100 0.342 0.000 0.771 411 G HN 0.008 8.397 8.290 0.166 0.000 0.545 412 D N 2.368 122.841 120.400 0.123 0.000 2.123 412 D HA -0.098 4.564 4.640 0.036 0.000 0.200 412 D C 2.512 178.844 176.300 0.054 0.000 0.976 412 D CA 3.043 57.068 54.000 0.041 0.000 0.831 412 D CB -0.080 40.722 40.800 0.004 0.000 0.974 412 D HN -0.454 7.969 8.370 0.089 0.000 0.469 413 L N -0.045 121.153 121.223 -0.041 0.000 2.044 413 L HA -0.210 4.098 4.340 -0.053 0.000 0.205 413 L C 0.599 177.407 176.870 -0.103 0.000 1.075 413 L CA 2.656 57.446 54.840 -0.084 0.000 0.747 413 L CB -0.180 41.780 42.059 -0.166 0.000 0.903 413 L HN -0.322 7.862 8.230 -0.077 0.000 0.435 414 A N -4.219 118.444 122.820 -0.262 0.000 1.968 414 A HA -0.246 3.796 4.320 -0.464 0.000 0.217 414 A C 1.162 178.333 177.584 -0.687 0.000 1.169 414 A CA 2.683 54.330 52.037 -0.650 0.000 0.638 414 A CB 0.322 18.604 19.000 -1.196 0.000 0.812 414 A HN -0.452 7.567 8.150 -0.218 0.000 0.446 415 F N -6.256 113.725 119.950 0.050 0.000 2.083 415 F HA 0.125 4.680 4.527 0.046 0.000 0.259 415 F C 1.179 177.038 175.800 0.100 0.000 0.953 415 F CA 1.713 59.753 58.000 0.068 0.000 1.156 415 F CB 1.352 40.407 39.000 0.093 0.000 1.297 415 F HN -0.747 7.559 8.300 0.010 0.000 0.733 416 I N 0.282 121.046 120.570 0.322 0.000 2.277 416 I HA -0.257 4.302 4.170 0.255 -0.236 0.243 416 I C 2.016 178.306 176.117 0.288 0.000 1.094 416 I CA 3.376 64.828 61.300 0.254 0.000 1.393 416 I CB 0.463 38.592 38.000 0.215 0.000 1.078 416 I HN -0.172 8.234 8.210 0.328 0.000 0.417 417 H N -1.061 118.177 119.070 0.279 0.000 2.482 417 H HA -0.135 4.641 4.556 0.367 0.000 0.286 417 H C 2.010 177.532 175.328 0.325 0.000 1.017 417 H CA 1.268 57.513 56.048 0.327 0.000 1.322 417 H CB -0.396 29.546 29.762 0.300 0.000 1.426 417 H HN -0.386 7.910 8.280 0.208 0.109 0.546 418 A N 1.004 124.035 122.820 0.350 0.000 1.883 418 A HA -0.310 4.207 4.320 0.328 0.000 0.217 418 A C 1.585 179.325 177.584 0.260 0.000 1.186 418 A CA 3.403 55.604 52.037 0.273 0.000 0.624 418 A CB -0.811 18.274 19.000 0.142 0.000 0.822 418 A HN -0.435 7.892 8.150 0.295 0.000 0.444 419 R N -1.388 119.247 120.500 0.224 0.000 2.083 419 R HA -0.433 3.992 4.340 0.141 0.000 0.237 419 R C 1.765 178.207 176.300 0.237 0.000 1.137 419 R CA 3.615 59.823 56.100 0.180 0.000 0.951 419 R CB -0.225 30.135 30.300 0.100 0.000 0.851 419 R HN -0.188 8.216 8.270 0.222 0.000 0.434 420 R N -1.307 119.369 120.500 0.294 0.000 2.096 420 R HA -0.327 4.076 4.340 0.104 0.000 0.235 420 R C 2.346 178.872 176.300 0.376 0.000 1.127 420 R CA 3.348 59.599 56.100 0.253 0.000 0.968 420 R CB -0.392 30.039 30.300 0.218 0.000 0.861 420 R HN -0.721 7.680 8.270 0.343 0.075 0.440 421 Y N 1.232 121.809 120.300 0.461 0.000 2.128 421 Y HA -0.376 4.548 4.550 0.624 0.000 0.284 421 Y C 1.800 177.915 175.900 0.357 0.000 1.154 421 Y CA 3.208 61.598 58.100 0.482 0.000 1.149 421 Y CB -0.002 38.694 38.460 0.393 0.000 0.976 421 Y HN -0.215 8.489 8.280 0.707 0.000 0.505 422 F N 0.082 120.216 119.950 0.307 0.000 2.065 422 F HA -0.518 4.122 4.527 0.189 0.000 0.298 422 F C 1.513 177.365 175.800 0.086 0.000 1.112 422 F CA 4.022 62.102 58.000 0.132 0.000 1.212 422 F CB 0.112 39.091 39.000 -0.035 0.000 0.975 422 F HN -0.150 8.478 8.300 0.548 0.000 0.476 423 L N -2.188 118.998 121.223 -0.062 0.000 2.083 423 L HA -0.537 3.606 4.340 -0.329 0.000 0.209 423 L C 2.112 178.926 176.870 -0.093 0.000 1.083 423 L CA 3.343 58.055 54.840 -0.214 0.000 0.752 423 L CB -0.649 41.128 42.059 -0.470 0.000 0.899 423 L HN 0.100 8.414 8.230 0.139 0.000 0.433 424 N N -2.960 115.715 118.700 -0.042 0.000 2.331 424 N HA -0.153 4.544 4.740 -0.070 0.000 0.180 424 N C 1.454 176.765 175.510 -0.331 0.000 1.019 424 N CA 2.509 55.469 53.050 -0.149 0.000 0.881 424 N CB 0.072 38.433 38.487 -0.210 0.000 0.972 424 N HN -0.326 8.043 8.380 0.016 0.020 0.435 425 H N -3.131 115.822 119.070 -0.195 0.000 2.604 425 H HA 0.073 4.558 4.556 -0.118 0.000 0.273 425 H C -0.981 174.281 175.328 -0.109 0.000 0.971 425 H CA 1.462 57.422 56.048 -0.147 0.000 1.249 425 H CB 2.155 31.827 29.762 -0.150 0.000 1.449 425 H HN -0.742 7.364 8.280 -0.063 0.136 0.512 426 F N 2.156 121.862 119.950 -0.407 0.000 2.506 426 F HA -0.178 3.944 4.527 -0.674 0.000 0.371 426 F C -1.503 174.084 175.800 -0.356 0.000 1.078 426 F CA 0.175 57.778 58.000 -0.661 0.000 1.195 426 F CB 0.631 38.823 39.000 -1.347 0.000 1.099 426 F HN 0.288 8.438 8.300 -0.251 0.000 0.548 427 Q N 5.722 125.125 119.800 -0.661 0.000 2.157 427 Q HA 0.202 4.309 4.340 -0.389 0.000 0.229 427 Q C -0.092 175.540 176.000 -0.613 0.000 0.827 427 Q CA -0.768 54.758 55.803 -0.462 0.000 1.055 427 Q CB 0.525 29.175 28.738 -0.147 0.000 1.157 427 Q HN -0.040 7.926 8.270 -0.507 0.000 0.482 428 G N -1.022 106.889 108.800 -1.483 0.000 2.572 428 G HA2 -0.107 3.708 3.960 -0.241 0.000 0.216 428 G HA3 -0.107 3.309 3.960 -0.906 0.000 0.216 428 G C -1.120 173.592 174.900 -0.314 0.000 1.133 428 G CA 0.539 45.183 45.100 -0.760 0.000 0.791 428 G HN 0.061 6.535 8.290 -3.028 0.000 0.538 429 G N -3.530 105.097 108.800 -0.287 0.000 2.441 429 G HA2 0.023 3.990 3.960 0.012 0.000 0.294 429 G HA3 0.023 4.120 3.960 0.174 -0.033 0.294 429 G C -2.304 172.651 174.900 0.092 0.000 1.393 429 G CA -0.564 44.564 45.100 0.046 0.000 0.796 429 G HN -0.827 7.084 8.290 -0.550 0.049 0.494 430 T N 2.480 117.095 114.554 0.102 0.000 2.934 430 T HA -0.164 4.163 4.350 -0.038 0.000 0.306 430 T C -0.500 174.222 174.700 0.036 0.000 1.042 430 T CA 1.583 63.697 62.100 0.024 0.000 1.145 430 T CB 0.372 69.259 68.868 0.032 0.000 0.982 430 T HN 0.098 8.407 8.240 0.115 0.000 0.544 431 K N 4.737 125.063 120.400 -0.123 0.000 2.259 431 K HA 0.811 5.330 4.320 0.029 -0.183 0.252 431 K C -0.852 175.517 176.600 -0.386 0.000 0.936 431 K CA -1.161 55.073 56.287 -0.089 0.000 0.810 431 K CB 3.257 35.780 32.500 0.038 0.000 1.143 431 K HN 0.428 8.574 8.250 -0.174 0.000 0.427 432 Y N 1.494 121.725 120.300 -0.115 0.000 2.462 432 Y HA 0.278 4.829 4.550 0.003 0.000 0.346 432 Y C -1.364 174.598 175.900 0.104 0.000 0.976 432 Y CA -1.125 56.869 58.100 -0.176 0.000 1.044 432 Y CB 3.811 41.714 38.460 -0.927 0.000 1.230 432 Y HN 0.422 8.698 8.280 -0.006 0.000 0.455 433 S N 0.213 116.295 115.700 0.638 0.000 2.548 433 S HA 1.056 5.977 4.470 0.354 -0.239 0.286 433 S C -1.480 173.530 174.600 0.684 0.000 1.098 433 S CA -2.683 55.802 58.200 0.476 0.000 0.930 433 S CB 2.745 66.006 63.200 0.101 0.000 1.070 433 S HN 0.477 9.301 8.310 0.858 0.000 0.480 434 F N 1.705 121.895 119.950 0.400 0.000 2.593 434 F HA 1.052 5.748 4.527 -0.003 -0.171 0.320 434 F C -2.815 173.062 175.800 0.129 0.000 1.060 434 F CA -2.940 55.143 58.000 0.138 0.000 0.940 434 F CB 3.687 42.710 39.000 0.038 0.000 1.268 434 F HN -0.227 8.069 8.300 -0.008 0.000 0.475 435 L N 1.036 122.387 121.223 0.212 0.000 2.439 435 L HA 0.666 5.282 4.340 0.146 -0.189 0.270 435 L C -2.021 174.942 176.870 0.155 0.000 0.972 435 L CA -1.001 53.931 54.840 0.152 0.000 0.836 435 L CB 3.940 46.047 42.059 0.081 0.000 1.255 435 L HN 0.373 8.703 8.230 0.167 0.000 0.404 436 S N 5.638 121.484 115.700 0.242 0.000 2.525 436 S HA 0.301 4.821 4.470 0.083 0.000 0.278 436 S C -0.542 174.122 174.600 0.107 0.000 1.234 436 S CA -0.694 57.605 58.200 0.165 0.000 1.058 436 S CB 0.826 64.188 63.200 0.270 0.000 0.983 436 S HN 0.736 9.226 8.310 0.299 0.000 0.495 437 K N 7.018 127.460 120.400 0.071 0.000 2.758 437 K HA 0.359 4.736 4.320 0.094 0.000 0.208 437 K C 0.808 177.445 176.600 0.062 0.000 1.091 437 K CA -0.741 55.597 56.287 0.084 0.000 1.059 437 K CB 0.127 32.690 32.500 0.105 0.000 0.801 437 K HN 0.847 9.125 8.250 0.046 0.000 0.470 438 Q N 1.440 121.257 119.800 0.030 0.000 2.170 438 Q HA -0.274 3.916 4.340 -0.064 0.113 0.203 438 Q C 0.211 176.199 176.000 -0.020 0.000 0.976 438 Q CA 3.223 58.998 55.803 -0.046 0.000 0.858 438 Q CB 0.240 28.892 28.738 -0.143 0.000 0.907 438 Q HN -0.472 7.760 8.270 0.048 0.067 0.433 439 L N -2.857 118.397 121.223 0.051 0.000 2.928 439 L HA 0.253 4.647 4.340 0.090 0.000 0.246 439 L C -0.911 176.032 176.870 0.121 0.000 1.239 439 L CA -2.257 52.646 54.840 0.105 0.000 1.035 439 L CB -0.365 41.799 42.059 0.175 0.000 1.360 439 L HN -0.842 7.392 8.230 0.065 0.034 0.529 440 S N 1.349 117.107 115.700 0.097 0.000 2.563 440 S HA -0.184 4.359 4.470 0.123 0.000 0.294 440 S C 1.270 175.936 174.600 0.109 0.000 1.279 440 S CA 2.966 61.229 58.200 0.106 0.000 1.069 440 S CB 0.006 63.258 63.200 0.087 0.000 0.828 440 S HN -0.672 7.621 8.310 0.080 0.065 0.497 441 G N 3.752 112.630 108.800 0.131 0.000 2.234 441 G HA2 -0.387 3.672 3.960 0.165 0.000 0.235 441 G HA3 -0.387 3.645 3.960 0.121 0.000 0.235 441 G C -0.532 174.449 174.900 0.135 0.000 0.997 441 G CA -0.205 44.979 45.100 0.139 0.000 0.623 441 G HN 0.422 8.796 8.290 0.139 0.000 0.514 442 L N 3.557 124.867 121.223 0.145 0.000 2.562 442 L HA 0.218 4.632 4.340 0.122 0.000 0.271 442 L C -1.777 175.171 176.870 0.130 0.000 1.167 442 L CA -1.856 53.072 54.840 0.147 0.000 0.917 442 L CB 0.488 42.675 42.059 0.213 0.000 1.187 442 L HN -0.541 7.712 8.230 0.153 0.070 0.482 443 P HA -0.055 4.418 4.420 0.087 0.000 0.266 443 P C 0.887 178.227 177.300 0.067 0.000 1.195 443 P CA 0.493 63.632 63.100 0.064 0.000 0.768 443 P CB 0.278 31.982 31.700 0.006 0.000 0.838 444 I N -1.252 119.377 120.570 0.099 0.000 4.300 444 I HA -0.593 3.690 4.170 0.189 0.000 0.079 444 I C -0.201 176.037 176.117 0.202 0.000 0.562 444 I CA 3.448 64.824 61.300 0.126 0.000 1.126 444 I CB -1.237 36.756 38.000 -0.011 0.000 1.002 444 I HN 0.609 9.232 8.210 0.117 -0.342 0.174 445 M N -2.196 117.485 119.600 0.135 0.000 2.486 445 M HA -0.095 4.490 4.480 0.175 0.000 0.264 445 M C 0.688 177.139 176.300 0.251 0.000 1.125 445 M CA 1.354 56.754 55.300 0.166 0.000 1.144 445 M CB 1.979 34.587 32.600 0.014 0.000 1.353 445 M HN -0.301 7.943 8.290 0.097 0.105 0.466 446 G N -1.744 107.196 108.800 0.233 0.000 2.574 446 G HA2 -0.439 3.702 3.960 0.201 0.000 0.282 446 G HA3 -0.439 3.791 3.960 0.184 -0.160 0.282 446 G C -0.278 174.797 174.900 0.292 0.000 1.257 446 G CA 0.088 45.323 45.100 0.225 0.000 0.956 446 G HN -0.325 8.087 8.290 0.203 0.000 0.560 447 T N 7.337 122.015 114.554 0.207 0.000 3.176 447 T HA 0.149 4.558 4.350 0.098 0.000 0.301 447 T C -0.857 173.912 174.700 0.115 0.000 1.115 447 T CA 0.697 62.875 62.100 0.130 0.000 1.027 447 T CB -1.693 67.242 68.868 0.110 0.000 1.063 447 T HN -0.219 8.431 8.240 0.184 -0.299 0.669 448 F N 3.661 123.691 119.950 0.133 0.000 2.370 448 F HA 0.324 5.100 4.527 0.115 -0.179 0.319 448 F C -0.331 175.540 175.800 0.117 0.000 1.129 448 F CA -2.895 55.172 58.000 0.112 0.000 1.109 448 F CB 1.066 40.111 39.000 0.076 0.000 1.262 448 F HN -0.585 7.650 8.300 -0.109 0.000 0.534 449 H N 3.377 122.576 119.070 0.214 0.000 3.125 449 H HA -0.339 4.364 4.556 -0.025 -0.162 0.310 449 H C 0.388 175.788 175.328 0.119 0.000 0.980 449 H CA 2.561 58.660 56.048 0.085 0.000 1.422 449 H CB 0.247 30.083 29.762 0.122 0.000 1.432 449 H HN 0.157 8.712 8.280 0.458 0.000 0.577 450 A N 3.494 126.061 122.820 -0.422 0.000 3.201 450 A HA -0.434 3.922 4.320 -0.312 -0.224 0.260 450 A C -0.203 177.258 177.584 -0.205 0.000 1.222 450 A CA 1.498 53.368 52.037 -0.278 0.000 1.124 450 A CB -2.000 16.919 19.000 -0.134 0.000 1.155 450 A HN 0.512 8.347 8.150 -0.525 0.000 0.924 451 N N -1.422 117.024 118.700 -0.424 0.000 2.289 451 N HA -0.350 4.104 4.740 -0.475 0.000 0.184 451 N C 1.053 176.373 175.510 -0.315 0.000 1.016 451 N CA 2.940 55.654 53.050 -0.559 0.000 0.872 451 N CB -0.345 37.547 38.487 -0.992 0.000 0.973 451 N HN -0.330 7.701 8.380 -0.483 0.059 0.433 452 D N -2.043 118.217 120.400 -0.234 0.000 2.221 452 D HA -0.264 4.265 4.640 -0.184 0.000 0.204 452 D C 1.182 177.283 176.300 -0.332 0.000 0.982 452 D CA 2.329 56.078 54.000 -0.418 0.000 0.857 452 D CB -0.963 39.295 40.800 -0.902 0.000 0.934 452 D HN 0.061 8.264 8.370 -0.237 0.024 0.475 453 I N -0.720 119.743 120.570 -0.178 0.000 2.208 453 I HA -0.352 3.826 4.170 0.014 0.000 0.245 453 I C 1.952 178.041 176.117 -0.047 0.000 1.097 453 I CA 1.609 62.901 61.300 -0.014 0.000 1.363 453 I CB -1.216 36.883 38.000 0.165 0.000 1.051 453 I HN -0.514 7.469 8.210 -0.166 0.127 0.413 454 V N -0.470 119.268 119.914 -0.294 0.000 2.287 454 V HA -0.458 3.547 4.120 -0.192 0.000 0.248 454 V C 2.052 177.901 176.094 -0.408 0.000 1.053 454 V CA 4.451 66.456 62.300 -0.492 0.000 1.027 454 V CB -0.847 30.350 31.823 -1.044 0.000 0.646 454 V HN -0.478 7.398 8.190 -0.356 0.100 0.447 455 W N -4.760 116.584 121.300 0.074 0.000 2.800 455 W HA 0.143 5.070 4.660 0.096 -0.209 0.249 455 W C 2.646 179.239 176.519 0.123 0.000 1.294 455 W CA 0.352 57.767 57.345 0.117 0.000 1.402 455 W CB -0.590 28.988 29.460 0.197 0.000 1.126 455 W HN -0.719 7.117 8.180 -0.573 0.000 0.652 456 Q N -0.583 119.327 119.800 0.183 0.000 2.259 456 Q HA -0.170 4.281 4.340 0.185 0.000 0.201 456 Q C 0.017 176.028 176.000 0.019 0.000 0.938 456 Q CA 2.922 58.799 55.803 0.123 0.000 0.872 456 Q CB 0.798 29.574 28.738 0.063 0.000 0.971 456 Q HN -0.517 7.633 8.270 0.077 0.166 0.494 457 D N -5.245 115.125 120.400 -0.050 0.000 2.489 457 D HA 0.204 4.701 4.640 -0.239 0.000 0.231 457 D C 0.443 176.493 176.300 -0.418 0.000 1.114 457 D CA 1.051 54.892 54.000 -0.264 0.000 0.842 457 D CB 2.249 42.811 40.800 -0.396 0.000 1.133 457 D HN -0.357 8.014 8.370 0.002 0.000 0.506 458 Y N -2.557 117.681 120.300 -0.103 0.000 2.701 458 Y HA 0.104 4.594 4.550 -0.100 0.000 0.275 458 Y C -0.334 175.528 175.900 -0.064 0.000 1.133 458 Y CA 1.597 59.629 58.100 -0.114 0.000 1.241 458 Y CB 3.255 41.607 38.460 -0.180 0.000 1.389 458 Y HN -0.373 7.942 8.280 0.058 0.000 0.486 459 L N -4.040 117.256 121.223 0.123 0.000 2.376 459 L HA 0.309 4.737 4.340 0.146 0.000 0.258 459 L C -2.013 175.044 176.870 0.311 0.000 1.013 459 L CA -1.300 53.649 54.840 0.182 0.000 0.822 459 L CB 4.566 46.733 42.059 0.180 0.000 1.388 459 L HN -0.072 8.221 8.230 0.105 0.000 0.413 460 L N 1.148 122.529 121.223 0.264 0.000 2.290 460 L HA 0.423 4.893 4.340 0.217 0.000 0.284 460 L C -0.719 176.289 176.870 0.231 0.000 1.078 460 L CA -0.669 54.302 54.840 0.219 0.000 0.815 460 L CB 0.721 42.842 42.059 0.103 0.000 1.162 460 L HN 0.092 8.447 8.230 0.207 0.000 0.435 461 G N 4.501 113.367 108.800 0.110 0.000 2.866 461 G HA2 0.471 4.280 3.960 -0.251 0.000 0.289 461 G HA3 0.471 3.983 3.960 -0.745 0.000 0.289 461 G C -0.390 174.324 174.900 -0.310 0.000 1.396 461 G CA -0.271 44.651 45.100 -0.297 0.000 0.848 461 G HN 0.265 8.648 8.290 0.155 0.000 0.515 462 S N 0.645 116.106 115.700 -0.399 0.000 2.383 462 S HA -0.285 4.048 4.470 -0.229 0.000 0.229 462 S C 2.309 176.703 174.600 -0.343 0.000 1.030 462 S CA 2.677 60.696 58.200 -0.302 0.000 1.002 462 S CB -0.122 62.919 63.200 -0.265 0.000 0.829 462 S HN 0.521 8.538 8.310 -0.488 0.000 0.467 463 G N -0.474 108.066 108.800 -0.433 0.000 2.598 463 G HA2 -0.099 3.484 3.960 -0.628 0.000 0.215 463 G HA3 -0.099 3.559 3.960 -0.503 0.000 0.215 463 G C 0.773 175.329 174.900 -0.573 0.000 1.131 463 G CA 0.864 45.631 45.100 -0.555 0.000 0.785 463 G HN -0.509 7.615 8.290 -0.530 -0.152 0.539 464 S N 1.972 117.549 115.700 -0.205 0.000 2.442 464 S HA -0.199 4.291 4.470 0.034 0.000 0.236 464 S C 1.729 176.199 174.600 -0.217 0.000 1.007 464 S CA 3.366 61.516 58.200 -0.084 0.000 0.965 464 S CB -0.221 63.004 63.200 0.042 0.000 0.773 464 S HN -0.333 7.712 8.310 -0.170 0.163 0.504 465 V N -2.179 117.575 119.914 -0.267 0.000 2.759 465 V HA -0.092 4.140 4.120 -0.163 -0.210 0.256 465 V C 0.919 176.822 176.094 -0.319 0.000 1.080 465 V CA 2.778 64.940 62.300 -0.230 0.000 1.101 465 V CB -0.998 30.714 31.823 -0.184 0.000 0.698 465 V HN -0.813 7.178 8.190 -0.278 0.032 0.477 466 I N 1.026 121.257 120.570 -0.564 0.000 2.385 466 I HA -0.221 3.690 4.170 -0.432 0.000 0.244 466 I C 1.991 177.475 176.117 -1.054 0.000 1.089 466 I CA 2.059 62.922 61.300 -0.728 0.000 1.410 466 I CB -0.902 36.497 38.000 -1.001 0.000 1.117 466 I HN -0.469 7.221 8.210 -0.652 0.130 0.429 467 Y N -3.008 116.790 120.300 -0.837 0.000 2.421 467 Y HA -0.263 3.083 4.550 -2.006 0.000 0.292 467 Y C 1.624 177.191 175.900 -0.554 0.000 1.136 467 Y CA 1.847 59.349 58.100 -0.997 0.000 1.255 467 Y CB -0.444 37.804 38.460 -0.354 0.000 0.991 467 Y HN -0.249 7.355 8.280 -1.127 0.000 0.552 468 N N -1.029 117.547 118.700 -0.206 0.000 2.660 468 N HA 0.165 4.914 4.740 0.015 0.000 0.231 468 N C 1.422 176.896 175.510 -0.060 0.000 1.022 468 N CA 0.960 53.977 53.050 -0.055 0.000 1.178 468 N CB 0.522 39.005 38.487 -0.006 0.000 1.536 468 N HN -0.108 8.101 8.380 -0.244 0.025 0.582 469 N N 2.594 121.247 118.700 -0.078 0.000 2.043 469 N HA -0.274 4.466 4.740 -0.001 0.000 0.193 469 N C 2.041 177.564 175.510 0.022 0.000 1.037 469 N CA 3.380 56.415 53.050 -0.026 0.000 0.851 469 N CB -0.412 38.051 38.487 -0.039 0.000 1.027 469 N HN -0.547 7.768 8.380 -0.109 0.000 0.422 470 A N 0.554 123.378 122.820 0.008 0.000 1.930 470 A HA -0.126 4.271 4.320 0.130 0.000 0.217 470 A C 2.050 179.814 177.584 0.300 0.000 1.175 470 A CA 2.617 54.745 52.037 0.151 0.000 0.627 470 A CB -0.452 18.720 19.000 0.286 0.000 0.815 470 A HN -0.209 7.887 8.150 -0.089 0.000 0.443 471 F N -2.162 117.818 119.950 0.049 0.000 2.186 471 F HA -0.240 4.332 4.527 0.075 0.000 0.299 471 F C 2.218 178.028 175.800 0.015 0.000 1.090 471 F CA 0.975 59.000 58.000 0.043 0.000 1.307 471 F CB -1.035 37.975 39.000 0.018 0.000 1.019 471 F HN -0.661 7.746 8.300 0.177 0.000 0.489 472 I N 0.352 121.031 120.570 0.180 0.000 2.179 472 I HA -0.515 3.681 4.170 0.043 0.000 0.242 472 I C 1.932 178.094 176.117 0.075 0.000 1.088 472 I CA 4.221 65.568 61.300 0.080 0.000 1.357 472 I CB -0.161 37.871 38.000 0.053 0.000 1.051 472 I HN 0.094 8.407 8.210 0.173 0.000 0.409 473 A N -0.290 122.588 122.820 0.095 0.000 1.933 473 A HA -0.305 4.043 4.320 0.047 0.000 0.218 473 A C 1.661 179.301 177.584 0.094 0.000 1.175 473 A CA 3.180 55.262 52.037 0.074 0.000 0.628 473 A CB -0.705 18.337 19.000 0.069 0.000 0.814 473 A HN -0.031 8.183 8.150 0.107 0.000 0.444 474 F N -0.006 119.920 119.950 -0.041 0.000 2.146 474 F HA -0.395 4.156 4.527 -0.105 -0.086 0.298 474 F C 1.532 177.298 175.800 -0.056 0.000 1.096 474 F CA 2.305 60.255 58.000 -0.083 0.000 1.275 474 F CB 0.028 38.955 39.000 -0.122 0.000 1.008 474 F HN -0.114 8.345 8.300 0.265 0.000 0.480 475 A N -1.642 121.159 122.820 -0.031 0.000 2.015 475 A HA -0.174 4.002 4.320 -0.240 0.000 0.219 475 A C 1.799 179.309 177.584 -0.124 0.000 1.163 475 A CA 2.682 54.635 52.037 -0.140 0.000 0.646 475 A CB -0.622 18.324 19.000 -0.089 0.000 0.806 475 A HN 0.111 8.316 8.150 0.093 0.000 0.448 476 T N -1.102 113.410 114.554 -0.070 0.000 2.852 476 T HA -0.157 4.165 4.350 -0.046 0.000 0.256 476 T C 0.844 175.505 174.700 -0.065 0.000 1.038 476 T CA 4.756 66.827 62.100 -0.048 0.000 1.141 476 T CB 0.274 69.134 68.868 -0.013 0.000 0.869 476 T HN -0.330 7.756 8.240 -0.039 0.131 0.439 477 D N -1.229 119.130 120.400 -0.069 0.000 2.500 477 D HA 0.167 4.779 4.640 -0.047 0.000 0.217 477 D C -0.076 176.175 176.300 -0.082 0.000 1.159 477 D CA 0.092 54.060 54.000 -0.053 0.000 0.828 477 D CB 1.817 42.611 40.800 -0.009 0.000 1.039 477 D HN -0.121 8.210 8.370 -0.064 0.000 0.512 478 L N -3.663 117.433 121.223 -0.212 0.000 4.040 478 L HA -0.445 3.471 4.340 -0.885 -0.107 0.410 478 L C -1.249 175.654 176.870 0.055 0.000 1.187 478 L CA 1.192 55.828 54.840 -0.340 0.000 0.956 478 L CB -2.318 39.609 42.059 -0.220 0.000 2.022 478 L HN -0.229 7.757 8.230 -0.263 0.086 0.897 479 D N -1.358 119.118 120.400 0.127 0.000 2.613 479 D HA 0.344 5.038 4.640 0.091 0.000 0.230 479 D C -1.526 174.766 176.300 -0.015 0.000 1.365 479 D CA -2.107 51.947 54.000 0.089 0.000 0.976 479 D CB 1.777 42.624 40.800 0.078 0.000 1.415 479 D HN -0.695 7.670 8.370 0.061 0.042 0.589 480 P HA 0.019 4.563 4.420 -0.011 -0.131 0.223 480 P C 0.528 177.809 177.300 -0.033 0.000 1.151 480 P CA 1.307 64.304 63.100 -0.171 0.000 0.787 480 P CB 0.799 32.185 31.700 -0.524 0.000 0.788 481 N N -1.301 117.370 118.700 -0.047 0.000 2.512 481 N HA -0.117 4.673 4.740 0.084 0.000 0.183 481 N C 1.056 176.594 175.510 0.046 0.000 1.073 481 N CA 2.338 55.416 53.050 0.048 0.000 0.911 481 N CB 0.070 38.603 38.487 0.078 0.000 0.964 481 N HN 0.054 8.604 8.380 -0.129 -0.248 0.447 482 T N -1.652 112.923 114.554 0.035 0.000 3.160 482 T HA -0.103 4.269 4.350 0.036 0.000 0.257 482 T C 0.365 175.086 174.700 0.034 0.000 1.147 482 T CA 2.009 64.129 62.100 0.035 0.000 1.064 482 T CB -0.501 68.384 68.868 0.029 0.000 0.949 482 T HN -0.618 7.589 8.240 0.026 0.048 0.526 483 A N 0.728 123.572 122.820 0.040 0.000 2.168 483 A HA -0.075 4.262 4.320 0.030 0.000 0.215 483 A C 0.647 178.247 177.584 0.027 0.000 1.152 483 A CA 0.479 52.537 52.037 0.034 0.000 0.716 483 A CB -0.069 18.956 19.000 0.041 0.000 0.794 483 A HN -0.648 7.475 8.150 0.046 0.055 0.465 484 G N -0.387 108.432 108.800 0.032 0.000 2.333 484 G HA2 -0.299 3.680 3.960 0.032 0.000 0.296 484 G HA3 -0.299 3.673 3.960 0.021 0.000 0.296 484 G C -0.055 174.857 174.900 0.020 0.000 1.059 484 G CA 0.301 45.417 45.100 0.027 0.000 1.050 484 G HN -0.615 7.629 8.290 0.039 0.069 0.508 485 L N -1.576 119.664 121.223 0.030 0.000 2.483 485 L HA -0.135 4.201 4.340 -0.007 0.000 0.275 485 L C 1.564 178.439 176.870 0.009 0.000 1.220 485 L CA 0.220 55.068 54.840 0.013 0.000 0.833 485 L CB 0.296 42.374 42.059 0.032 0.000 1.102 485 L HN -0.299 7.958 8.230 0.045 0.000 0.490 486 L N -0.299 120.917 121.223 -0.011 0.000 2.478 486 L HA -0.087 4.254 4.340 0.001 0.000 0.223 486 L C -0.643 176.229 176.870 0.004 0.000 1.140 486 L CA 0.867 55.704 54.840 -0.006 0.000 0.842 486 L CB 0.068 42.116 42.059 -0.018 0.000 0.953 486 L HN 0.014 8.227 8.230 -0.027 0.000 0.452 487 V N -0.917 118.999 119.914 0.003 0.000 2.577 487 V HA 0.090 4.226 4.120 0.026 0.000 0.303 487 V C -1.186 174.937 176.094 0.048 0.000 1.042 487 V CA -1.514 60.794 62.300 0.015 0.000 0.872 487 V CB 1.772 33.587 31.823 -0.014 0.000 0.998 487 V HN -0.633 7.491 8.190 -0.006 0.062 0.423 488 N N 6.130 124.879 118.700 0.082 0.000 2.492 488 N HA -0.215 4.734 4.740 0.152 -0.118 0.260 488 N C -0.491 175.151 175.510 0.220 0.000 1.215 488 N CA 0.752 53.888 53.050 0.143 0.000 0.923 488 N CB 0.877 39.442 38.487 0.130 0.000 1.092 488 N HN -0.016 8.406 8.380 0.070 0.000 0.448 489 W N 6.803 128.149 121.300 0.078 0.000 2.308 489 W HA 0.318 5.047 4.660 0.113 0.000 0.311 489 W C -2.304 174.354 176.519 0.232 0.000 1.088 489 W CA -3.394 54.029 57.345 0.130 0.000 1.309 489 W CB 0.509 30.018 29.460 0.081 0.000 1.229 489 W HN 0.112 8.878 8.180 0.381 -0.357 0.427 490 P HA 0.065 4.662 4.420 0.295 0.000 0.274 490 P C -1.676 175.844 177.300 0.367 0.000 1.231 490 P CA -0.675 62.650 63.100 0.374 0.000 0.790 490 P CB 0.877 32.719 31.700 0.237 0.000 0.951 491 K N -0.292 120.178 120.400 0.116 0.000 2.326 491 K HA -0.068 4.069 4.320 -0.481 -0.106 0.275 491 K C -0.246 176.347 176.600 -0.012 0.000 1.018 491 K CA 0.382 56.571 56.287 -0.163 0.000 0.962 491 K CB 0.841 33.211 32.500 -0.217 0.000 0.953 491 K HN -0.105 8.216 8.250 0.118 0.000 0.475 492 Y N 6.720 126.933 120.300 -0.145 0.000 2.326 492 Y HA -0.019 4.654 4.550 -0.008 -0.127 0.337 492 Y C -0.370 175.479 175.900 -0.085 0.000 1.023 492 Y CA 0.115 58.185 58.100 -0.050 0.000 1.143 492 Y CB 2.035 40.499 38.460 0.006 0.000 1.183 492 Y HN 0.157 8.398 8.280 -0.064 0.000 0.485 493 T N 4.430 118.920 114.554 -0.107 0.000 3.085 493 T HA 0.061 4.430 4.350 0.031 0.000 0.241 493 T C -0.581 174.097 174.700 -0.036 0.000 0.988 493 T CA -0.022 62.052 62.100 -0.044 0.000 1.117 493 T CB 2.150 70.958 68.868 -0.099 0.000 0.978 493 T HN 0.756 9.178 8.240 -0.344 -0.389 0.454 494 S N -0.202 115.339 115.700 -0.266 0.000 2.587 494 S HA 0.307 4.953 4.470 0.132 -0.097 0.269 494 S C 0.608 175.006 174.600 -0.338 0.000 1.154 494 S CA -0.909 57.209 58.200 -0.137 0.000 0.824 494 S CB 2.943 66.068 63.200 -0.125 0.000 1.118 494 S HN -0.689 7.576 8.310 -0.461 -0.231 0.462 495 S N 0.677 116.292 115.700 -0.141 0.000 2.515 495 S HA -0.080 4.261 4.470 -0.215 0.000 0.231 495 S C 0.470 174.944 174.600 -0.210 0.000 0.987 495 S CA 2.737 60.828 58.200 -0.181 0.000 0.936 495 S CB -0.129 62.962 63.200 -0.181 0.000 0.766 495 S HN 0.522 9.143 8.310 -0.047 -0.339 0.528 496 S N -1.125 114.460 115.700 -0.192 0.000 2.556 496 S HA 0.128 4.511 4.470 -0.145 0.000 0.216 496 S C 0.345 174.856 174.600 -0.148 0.000 0.970 496 S CA 0.017 58.125 58.200 -0.155 0.000 0.912 496 S CB 0.536 63.658 63.200 -0.129 0.000 0.790 496 S HN -0.525 7.625 8.310 -0.187 0.047 0.504 497 Q N 2.360 122.047 119.800 -0.189 0.000 2.474 497 Q HA -0.102 4.159 4.340 -0.132 0.000 0.256 497 Q C 0.978 176.903 176.000 -0.124 0.000 1.048 497 Q CA 0.727 56.432 55.803 -0.162 0.000 0.922 497 Q CB 0.930 29.543 28.738 -0.209 0.000 1.288 497 Q HN -0.732 7.393 8.270 -0.241 0.000 0.484 498 S N 1.358 117.004 115.700 -0.090 0.000 2.414 498 S HA -0.123 4.310 4.470 -0.062 0.000 0.227 498 S C 0.427 174.996 174.600 -0.051 0.000 1.022 498 S CA 1.916 60.078 58.200 -0.063 0.000 0.958 498 S CB -0.038 63.135 63.200 -0.046 0.000 0.797 498 S HN 0.391 8.649 8.310 -0.087 0.000 0.493 499 G N 1.688 110.456 108.800 -0.054 0.000 2.601 499 G HA2 0.029 3.978 3.960 -0.018 0.000 0.317 499 G HA3 0.029 3.977 3.960 -0.019 0.000 0.317 499 G C -1.533 173.349 174.900 -0.030 0.000 1.246 499 G CA -1.724 43.358 45.100 -0.029 0.000 1.012 499 G HN -0.275 7.975 8.290 -0.067 0.000 0.494 500 N N -0.931 117.770 118.700 0.003 0.000 2.412 500 N HA -0.215 4.605 4.740 0.017 -0.070 0.258 500 N C -0.664 174.861 175.510 0.025 0.000 1.236 500 N CA 0.982 54.045 53.050 0.021 0.000 0.882 500 N CB -0.040 38.474 38.487 0.045 0.000 1.066 500 N HN 0.024 8.412 8.380 0.012 0.000 0.465 501 N N 0.565 119.283 118.700 0.029 0.000 2.143 501 N HA 0.057 4.854 4.740 0.095 0.000 0.229 501 N C -1.130 174.536 175.510 0.260 0.000 1.294 501 N CA -0.351 52.735 53.050 0.061 0.000 0.883 501 N CB 1.564 39.903 38.487 -0.247 0.000 1.148 501 N HN 0.183 8.584 8.380 0.035 0.000 0.511 502 L N 0.789 122.128 121.223 0.193 0.000 2.341 502 L HA 0.330 5.017 4.340 0.321 -0.155 0.278 502 L C -1.508 175.348 176.870 -0.023 0.000 1.005 502 L CA -1.073 53.880 54.840 0.188 0.000 0.818 502 L CB 2.808 44.965 42.059 0.164 0.000 1.259 502 L HN -0.157 8.147 8.230 0.123 0.000 0.418 503 M N 5.613 125.093 119.600 -0.199 0.000 2.227 503 M HA 0.105 4.286 4.480 -0.498 0.000 0.349 503 M C -1.808 174.248 176.300 -0.407 0.000 1.443 503 M CA -0.470 54.481 55.300 -0.581 0.000 1.110 503 M CB 0.636 32.339 32.600 -1.495 0.000 1.773 503 M HN 0.201 8.461 8.290 -0.049 0.000 0.463 504 M N 5.996 125.280 119.600 -0.526 0.000 2.472 504 M HA 0.845 5.324 4.480 -0.388 -0.232 0.331 504 M C -0.563 175.412 176.300 -0.540 0.000 1.170 504 M CA -2.523 52.396 55.300 -0.636 0.000 1.009 504 M CB 2.083 33.844 32.600 -1.399 0.000 1.672 504 M HN 0.555 8.506 8.290 -0.566 0.000 0.453 505 I N 1.766 122.156 120.570 -0.300 0.000 2.433 505 I HA 0.560 4.777 4.170 -0.176 -0.153 0.292 505 I C -1.405 174.712 176.117 0.001 0.000 1.001 505 I CA -1.046 60.153 61.300 -0.169 0.000 1.119 505 I CB 2.041 39.912 38.000 -0.215 0.000 1.289 505 I HN -0.079 7.994 8.210 -0.228 0.000 0.438 506 N N 6.302 125.049 118.700 0.079 0.000 2.966 506 N HA 0.413 5.330 4.740 0.049 -0.148 0.314 506 N C 0.148 175.631 175.510 -0.046 0.000 1.397 506 N CA -2.281 50.810 53.050 0.068 0.000 0.776 506 N CB 1.167 39.741 38.487 0.145 0.000 1.576 506 N HN 0.474 8.900 8.380 0.077 0.000 0.592 507 A N -1.512 121.274 122.820 -0.056 0.000 2.019 507 A HA -0.118 4.101 4.320 -0.169 0.000 0.219 507 A C 0.407 177.927 177.584 -0.107 0.000 1.164 507 A CA 2.382 54.354 52.037 -0.109 0.000 0.644 507 A CB -0.298 18.658 19.000 -0.073 0.000 0.805 507 A HN 0.435 8.569 8.150 -0.027 0.000 0.449 508 L N -5.650 115.530 121.223 -0.071 0.000 2.607 508 L HA 0.042 4.337 4.340 -0.075 0.000 0.228 508 L C -0.150 176.683 176.870 -0.063 0.000 1.123 508 L CA -0.642 54.157 54.840 -0.067 0.000 0.890 508 L CB 0.112 42.136 42.059 -0.057 0.000 1.103 508 L HN -0.758 7.569 8.230 -0.053 -0.129 0.468 509 G N -2.383 106.380 108.800 -0.062 0.000 2.236 509 G HA2 -0.102 3.791 3.960 -0.111 0.000 0.231 509 G HA3 -0.102 3.824 3.960 -0.057 0.000 0.231 509 G C -2.743 172.143 174.900 -0.023 0.000 1.334 509 G CA -0.655 44.405 45.100 -0.068 0.000 1.137 509 G HN -0.664 7.526 8.290 -0.060 0.064 0.482 510 L N 0.902 122.111 121.223 -0.023 0.000 2.344 510 L HA 0.985 5.454 4.340 -0.094 -0.185 0.272 510 L C 0.002 176.948 176.870 0.127 0.000 1.035 510 L CA -1.452 53.366 54.840 -0.038 0.000 0.807 510 L CB 1.990 43.972 42.059 -0.128 0.000 1.237 510 L HN 0.062 8.272 8.230 -0.034 0.000 0.442 511 Y N -1.123 119.110 120.300 -0.111 0.000 2.853 511 Y HA 0.426 4.938 4.550 -0.064 0.000 0.326 511 Y C -2.376 173.479 175.900 -0.074 0.000 1.384 511 Y CA -1.424 56.632 58.100 -0.074 0.000 1.077 511 Y CB 1.355 39.784 38.460 -0.052 0.000 1.395 511 Y HN 0.503 8.647 8.280 -0.227 0.000 0.451 512 T N -1.691 112.862 114.554 -0.002 0.000 2.916 512 T HA 0.878 5.241 4.350 -0.237 -0.155 0.292 512 T C -1.161 173.543 174.700 0.006 0.000 1.064 512 T CA -2.496 59.548 62.100 -0.094 0.000 1.011 512 T CB 3.510 72.375 68.868 -0.005 0.000 1.152 512 T HN -0.091 8.264 8.240 0.191 0.000 0.510 513 G N -0.546 108.247 108.800 -0.011 0.000 2.706 513 G HA2 0.286 4.303 3.960 0.096 0.000 0.307 513 G HA3 0.286 4.289 3.960 0.072 0.000 0.307 513 G C -2.937 172.012 174.900 0.081 0.000 1.307 513 G CA -0.453 44.686 45.100 0.065 0.000 0.790 513 G HN 0.037 8.304 8.290 -0.037 0.000 0.503 514 K N -1.179 119.291 120.400 0.117 0.000 2.318 514 K HA 0.654 5.216 4.320 0.071 -0.199 0.249 514 K C -0.832 175.883 176.600 0.193 0.000 0.942 514 K CA -1.523 54.827 56.287 0.105 0.000 0.808 514 K CB 3.526 36.061 32.500 0.059 0.000 1.189 514 K HN 0.086 8.418 8.250 0.136 0.000 0.428 515 D N 3.680 124.152 120.400 0.121 0.000 3.057 515 D HA -0.002 4.713 4.640 0.125 0.000 0.246 515 D C -0.952 175.209 176.300 -0.232 0.000 1.238 515 D CA -1.025 52.995 54.000 0.033 0.000 0.949 515 D CB -0.970 39.949 40.800 0.198 0.000 1.086 515 D HN -0.005 8.637 8.370 0.065 -0.233 0.487 516 N N -0.985 117.623 118.700 -0.154 0.000 2.291 516 N HA 0.002 4.592 4.740 -0.251 0.000 0.244 516 N C -1.175 174.267 175.510 -0.112 0.000 1.216 516 N CA -1.124 51.826 53.050 -0.167 0.000 0.879 516 N CB 0.146 38.595 38.487 -0.064 0.000 1.167 516 N HN -0.643 7.697 8.380 0.047 0.067 0.515 517 F N -2.151 117.804 119.950 0.008 0.000 2.403 517 F HA 0.346 4.862 4.527 -0.020 0.000 0.326 517 F C 0.308 176.138 175.800 0.050 0.000 1.081 517 F CA -1.589 56.409 58.000 -0.004 0.000 1.041 517 F CB 1.310 40.282 39.000 -0.045 0.000 1.234 517 F HN -0.772 7.039 8.300 -0.816 0.000 0.503 518 R N -0.657 119.969 120.500 0.210 0.000 3.322 518 R HA -0.372 4.006 4.340 0.063 0.000 0.253 518 R C 0.534 176.888 176.300 0.089 0.000 0.987 518 R CA 0.549 56.745 56.100 0.160 0.000 0.666 518 R CB -1.913 28.555 30.300 0.280 0.000 1.072 518 R HN 0.679 9.067 8.270 0.197 0.000 0.447 519 T N -3.339 111.200 114.554 -0.025 0.000 2.867 519 T HA -0.304 3.958 4.350 -0.147 0.000 0.268 519 T C 1.299 175.978 174.700 -0.034 0.000 1.057 519 T CA 3.102 65.152 62.100 -0.082 0.000 1.136 519 T CB -0.095 68.713 68.868 -0.100 0.000 0.874 519 T HN 0.184 8.404 8.240 -0.017 0.010 0.466 520 A N 2.155 124.947 122.820 -0.046 0.000 1.933 520 A HA -0.224 4.077 4.320 -0.032 0.000 0.218 520 A C 1.879 179.415 177.584 -0.080 0.000 1.175 520 A CA 2.787 54.789 52.037 -0.058 0.000 0.628 520 A CB -1.116 17.838 19.000 -0.076 0.000 0.814 520 A HN 0.285 8.406 8.150 -0.048 0.000 0.444 521 G N -1.455 107.263 108.800 -0.138 0.000 2.403 521 G HA2 -0.276 3.621 3.960 -0.106 0.000 0.216 521 G HA3 -0.276 3.539 3.960 -0.242 0.000 0.216 521 G C 0.834 175.808 174.900 0.123 0.000 1.154 521 G CA 1.336 46.387 45.100 -0.082 0.000 0.784 521 G HN -0.178 8.026 8.290 -0.144 0.000 0.538 522 Y N 2.706 122.865 120.300 -0.236 0.000 2.128 522 Y HA -0.501 3.762 4.550 -0.477 0.000 0.284 522 Y C 1.371 177.171 175.900 -0.165 0.000 1.154 522 Y CA 4.055 61.881 58.100 -0.457 0.000 1.149 522 Y CB 0.183 38.224 38.460 -0.700 0.000 0.976 522 Y HN -0.335 7.927 8.280 -0.029 0.000 0.505 523 D N -0.923 119.504 120.400 0.045 0.000 2.144 523 D HA -0.339 4.318 4.640 0.029 0.000 0.199 523 D C 2.450 178.709 176.300 -0.067 0.000 0.984 523 D CA 3.072 57.079 54.000 0.011 0.000 0.834 523 D CB -0.647 40.179 40.800 0.045 0.000 0.955 523 D HN -0.236 8.185 8.370 0.085 0.000 0.465 524 A N -0.526 122.253 122.820 -0.068 0.000 1.933 524 A HA -0.147 4.153 4.320 -0.034 0.000 0.218 524 A C 1.645 179.089 177.584 -0.234 0.000 1.175 524 A CA 2.757 54.743 52.037 -0.085 0.000 0.628 524 A CB -0.394 18.579 19.000 -0.046 0.000 0.814 524 A HN -0.319 7.804 8.150 -0.046 0.000 0.444 525 L N -4.563 116.444 121.223 -0.361 0.000 2.202 525 L HA -0.137 3.519 4.340 -1.140 0.000 0.205 525 L C 1.172 177.800 176.870 -0.404 0.000 1.083 525 L CA 2.287 56.748 54.840 -0.630 0.000 0.790 525 L CB 0.642 42.393 42.059 -0.514 0.000 0.942 525 L HN -0.637 7.422 8.230 -0.254 0.018 0.452 526 M N -5.721 113.649 119.600 -0.382 0.000 2.333 526 M HA 0.141 4.393 4.480 -0.379 0.000 0.257 526 M C 1.590 177.799 176.300 -0.153 0.000 1.078 526 M CA -1.043 54.036 55.300 -0.367 0.000 1.005 526 M CB -0.716 31.467 32.600 -0.694 0.000 1.444 526 M HN -0.068 7.990 8.290 -0.385 0.000 0.496 527 T N 2.421 116.910 114.554 -0.108 0.000 2.777 527 T HA -0.215 4.155 4.350 0.033 0.000 0.266 527 T C 0.114 174.793 174.700 -0.035 0.000 1.040 527 T CA 3.346 65.435 62.100 -0.017 0.000 1.141 527 T CB 0.279 69.144 68.868 -0.006 0.000 0.868 527 T HN -0.585 7.575 8.240 -0.133 0.000 0.444 528 N N -1.381 117.267 118.700 -0.086 0.000 2.762 528 N HA 0.446 5.095 4.740 -0.151 0.000 0.252 528 N C -1.861 173.487 175.510 -0.270 0.000 1.269 528 N CA -1.273 51.682 53.050 -0.157 0.000 0.799 528 N CB 1.263 39.663 38.487 -0.145 0.000 1.173 528 N HN -0.103 8.235 8.380 -0.069 0.000 0.516 529 P HA -0.101 4.227 4.420 -0.487 -0.200 0.218 529 P C 1.162 177.936 177.300 -0.876 0.000 1.148 529 P CA 1.743 64.449 63.100 -0.657 0.000 0.822 529 P CB 0.404 31.385 31.700 -1.198 0.000 0.784 530 S N -3.848 111.151 115.700 -1.169 0.000 2.474 530 S HA -0.256 1.989 4.470 -3.709 0.000 0.235 530 S C 1.893 175.944 174.600 -0.915 0.000 0.997 530 S CA 2.625 59.750 58.200 -1.791 0.000 0.949 530 S CB -1.104 61.390 63.200 -1.177 0.000 0.766 530 S HN 0.333 8.101 8.310 -0.858 0.027 0.517 531 S N 2.983 118.327 115.700 -0.593 0.000 2.469 531 S HA -0.180 4.042 4.470 -0.415 0.000 0.238 531 S C 0.046 174.206 174.600 -0.732 0.000 0.998 531 S CA 2.929 60.795 58.200 -0.556 0.000 0.957 531 S CB 0.029 62.872 63.200 -0.595 0.000 0.764 531 S HN -0.404 7.553 8.310 -0.534 0.032 0.514 532 F N -2.777 116.969 119.950 -0.340 0.000 2.668 532 F HA 0.074 4.367 4.527 -0.391 0.000 0.301 532 F C -0.633 175.202 175.800 0.058 0.000 1.106 532 F CA -0.299 57.488 58.000 -0.355 0.000 1.289 532 F CB 0.497 39.092 39.000 -0.675 0.000 1.006 532 F HN -0.652 7.291 8.300 -0.308 0.172 0.535 533 F N -0.227 119.738 119.950 0.026 0.000 2.406 533 F HA 0.052 4.749 4.527 0.021 -0.157 0.327 533 F C 0.199 176.069 175.800 0.116 0.000 1.153 533 F CA -2.182 55.854 58.000 0.060 0.000 1.218 533 F CB 0.968 39.986 39.000 0.029 0.000 1.215 533 F HN -0.812 7.495 8.300 0.122 0.066 0.570 534 V N 0.000 120.046 119.914 0.221 0.000 2.409 534 V HA 0.000 4.139 4.120 0.032 0.000 0.244 534 V CA 0.000 62.348 62.300 0.080 0.000 1.235 534 V CB 0.000 31.821 31.823 -0.004 0.000 1.184 534 V HN 0.000 8.276 8.190 0.143 0.000 0.556