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 2pcf_1_B DATA FIRST_RESID 1 DATA SEQUENCE YPIFAQQNYE NPREATGRIV CANCHLASKP VDIEVPQAVL PDTVFEAVVK DATA SEQUENCE IPYDMQLKQV LANGKKGALN VGAVLILPEG FELAPPDRIS PEMKEKIGNL DATA SEQUENCE SFQNYRPNKK NILVIGPVPG QKYSEITFPI LAPDPATNKD VHFLKYPIYV DATA SEQUENCE GGNRGRGQIY PDGSKSNNTV YNATAGGIIS KILRKEKGGY EITIVDASNE DATA SEQUENCE RQVIDIIPRG LELLVSEGES IKLDQPLTSN PNVGGFGQGD AEIVLQDPLR 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 Y HA 0.000 4.614 4.550 0.107 0.000 0.201 1 Y C 0.000 175.953 175.900 0.089 0.000 1.272 1 Y CA 0.000 58.165 58.100 0.108 0.000 1.940 1 Y CB 0.000 38.359 38.460 -0.169 0.000 1.050 2 P HA 0.005 4.522 4.420 0.162 0.000 0.220 2 P C 0.650 177.990 177.300 0.066 0.000 1.148 2 P CA 1.672 64.855 63.100 0.139 0.000 0.803 2 P CB 0.641 32.410 31.700 0.116 0.000 0.782 3 I N -2.902 117.671 120.570 0.004 0.000 2.676 3 I HA -0.250 3.857 4.170 -0.106 0.000 0.259 3 I C 0.455 176.582 176.117 0.016 0.000 1.194 3 I CA 1.965 63.213 61.300 -0.087 0.000 1.473 3 I CB -0.293 37.588 38.000 -0.199 0.000 1.096 3 I HN -0.079 8.114 8.210 0.021 0.030 0.443 4 F N 0.133 120.164 119.950 0.136 0.000 2.146 4 F HA -0.265 4.331 4.527 0.115 0.000 0.298 4 F C 1.736 177.639 175.800 0.172 0.000 1.096 4 F CA 2.019 60.108 58.000 0.148 0.000 1.275 4 F CB -0.986 38.129 39.000 0.193 0.000 1.008 4 F HN -0.668 7.561 8.300 0.119 0.142 0.480 5 A N -1.991 121.072 122.820 0.405 0.000 1.897 5 A HA -0.409 4.359 4.320 0.747 0.000 0.215 5 A C 1.560 179.350 177.584 0.344 0.000 1.181 5 A CA 3.080 55.404 52.037 0.479 0.000 0.620 5 A CB -0.688 18.539 19.000 0.379 0.000 0.821 5 A HN -0.429 7.935 8.150 0.356 0.000 0.443 6 Q N -1.235 118.530 119.800 -0.059 0.000 2.084 6 Q HA -0.411 3.334 4.340 -0.991 0.000 0.202 6 Q C 2.922 178.863 176.000 -0.098 0.000 0.978 6 Q CA 3.158 58.668 55.803 -0.488 0.000 0.844 6 Q CB 0.097 28.457 28.738 -0.631 0.000 0.898 6 Q HN -0.409 7.835 8.270 -0.043 0.000 0.426 7 Q N -1.886 117.913 119.800 -0.001 0.000 2.224 7 Q HA -0.224 4.115 4.340 -0.001 0.000 0.203 7 Q C 1.317 177.341 176.000 0.041 0.000 0.970 7 Q CA 2.537 58.359 55.803 0.032 0.000 0.865 7 Q CB 0.222 29.006 28.738 0.078 0.000 0.922 7 Q HN -0.033 8.252 8.270 0.025 0.000 0.445 8 N N -4.502 114.230 118.700 0.054 0.000 2.143 8 N HA 0.072 4.751 4.740 -0.100 0.000 0.222 8 N C -0.448 174.877 175.510 -0.308 0.000 1.264 8 N CA 0.483 53.455 53.050 -0.129 0.000 0.897 8 N CB 2.097 40.451 38.487 -0.222 0.000 1.092 8 N HN -0.641 7.703 8.380 0.142 0.121 0.516 9 Y N 0.672 121.063 120.300 0.151 0.000 2.350 9 Y HA 0.113 4.724 4.550 0.101 0.000 0.338 9 Y C -0.195 175.840 175.900 0.224 0.000 0.961 9 Y CA -0.615 57.581 58.100 0.160 0.000 1.100 9 Y CB 1.853 40.418 38.460 0.176 0.000 1.179 9 Y HN 0.046 8.502 8.280 0.293 0.000 0.454 10 E N 3.049 123.405 120.200 0.259 0.000 2.047 10 E HA -0.369 4.123 4.350 0.236 0.000 0.191 10 E C -0.178 176.539 176.600 0.194 0.000 0.987 10 E CA 2.024 58.552 56.400 0.215 0.000 0.799 10 E CB 0.485 30.255 29.700 0.117 0.000 0.752 10 E HN 0.452 8.929 8.360 0.195 0.000 0.449 11 N N -1.547 117.203 118.700 0.084 0.000 2.346 11 N HA 0.216 4.797 4.740 -0.265 0.000 0.289 11 N C -1.955 173.455 175.510 -0.166 0.000 1.027 11 N CA -2.835 50.145 53.050 -0.117 0.000 0.864 11 N CB 1.669 40.114 38.487 -0.070 0.000 1.370 11 N HN -0.430 8.027 8.380 0.128 0.000 0.481 12 P HA -0.050 4.258 4.420 -0.186 0.000 0.242 12 P C -1.458 175.710 177.300 -0.219 0.000 1.197 12 P CA 0.603 63.519 63.100 -0.308 0.000 0.765 12 P CB 0.342 31.774 31.700 -0.447 0.000 0.936 13 R N -0.954 119.428 120.500 -0.196 0.000 2.229 13 R HA 0.108 4.345 4.340 -0.172 0.000 0.328 13 R C -0.425 175.791 176.300 -0.139 0.000 1.009 13 R CA -0.645 55.348 56.100 -0.178 0.000 0.864 13 R CB 1.042 31.214 30.300 -0.213 0.000 1.085 13 R HN -0.878 7.374 8.270 -0.204 -0.103 0.453 14 E N 5.168 125.291 120.200 -0.128 0.000 2.351 14 E HA 0.090 4.404 4.350 -0.061 0.000 0.255 14 E C 1.330 177.882 176.600 -0.079 0.000 1.188 14 E CA -0.256 56.093 56.400 -0.086 0.000 0.940 14 E CB 1.148 30.800 29.700 -0.079 0.000 1.094 14 E HN 0.262 8.436 8.360 -0.137 0.104 0.474 15 A N -0.029 122.761 122.820 -0.050 0.000 2.014 15 A HA -0.101 4.187 4.320 -0.054 0.000 0.218 15 A C 0.173 177.727 177.584 -0.049 0.000 1.163 15 A CA 2.636 54.645 52.037 -0.046 0.000 0.652 15 A CB -0.048 18.938 19.000 -0.024 0.000 0.808 15 A HN 0.367 8.497 8.150 -0.033 0.000 0.449 16 T N -7.639 106.888 114.554 -0.045 0.000 3.148 16 T HA -0.075 4.256 4.350 -0.033 0.000 0.253 16 T C 1.061 175.728 174.700 -0.055 0.000 1.134 16 T CA -0.615 61.462 62.100 -0.039 0.000 1.051 16 T CB -0.589 68.264 68.868 -0.026 0.000 0.959 16 T HN -0.637 7.551 8.240 -0.043 0.026 0.525 17 G N 1.124 109.871 108.800 -0.088 0.000 2.141 17 G HA2 -0.400 3.438 3.960 -0.203 0.000 0.242 17 G HA3 -0.400 3.492 3.960 -0.112 0.000 0.242 17 G C -0.717 174.127 174.900 -0.094 0.000 0.982 17 G CA -0.077 44.945 45.100 -0.130 0.000 0.662 17 G HN -0.464 7.565 8.290 -0.091 0.206 0.527 18 R N -0.078 120.383 120.500 -0.066 0.000 2.357 18 R HA 0.117 4.465 4.340 0.014 0.000 0.296 18 R C -0.637 175.632 176.300 -0.051 0.000 1.052 18 R CA -1.023 55.060 56.100 -0.027 0.000 0.988 18 R CB 1.311 31.595 30.300 -0.025 0.000 1.025 18 R HN -0.698 7.485 8.270 -0.069 0.046 0.469 19 I N 4.059 124.647 120.570 0.030 0.000 2.529 19 I HA 0.108 4.435 4.170 -0.071 -0.200 0.284 19 I C 1.820 177.825 176.117 -0.186 0.000 1.082 19 I CA 0.544 61.840 61.300 -0.007 0.000 1.406 19 I CB 0.685 38.838 38.000 0.255 0.000 1.405 19 I HN 0.447 8.738 8.210 0.136 0.000 0.548 20 V N 4.645 124.372 119.914 -0.310 0.000 2.688 20 V HA -0.341 3.426 4.120 -0.588 0.000 0.256 20 V C 1.080 176.894 176.094 -0.466 0.000 1.084 20 V CA 3.393 65.354 62.300 -0.565 0.000 1.103 20 V CB -1.066 30.198 31.823 -0.932 0.000 0.688 20 V HN 0.397 8.431 8.190 -0.261 0.000 0.480 21 C N -1.304 117.701 119.300 -0.491 0.000 2.422 21 C HA -0.246 4.091 4.460 -0.205 0.000 0.286 21 C C 1.557 176.189 174.990 -0.597 0.000 1.412 21 C CA 2.183 60.874 59.018 -0.546 0.000 1.786 21 C CB -2.947 24.231 27.740 -0.936 0.000 1.835 21 C HN 0.060 7.978 8.230 -0.458 0.038 0.533 22 A N -0.839 121.609 122.820 -0.621 0.000 2.239 22 A HA 0.015 4.416 4.320 -0.209 -0.206 0.209 22 A C 0.609 178.106 177.584 -0.145 0.000 1.171 22 A CA 1.847 53.726 52.037 -0.263 0.000 0.768 22 A CB -0.635 18.336 19.000 -0.048 0.000 0.790 22 A HN -0.176 7.563 8.150 -0.613 0.043 0.478 23 N N -2.557 116.038 118.700 -0.174 0.000 2.333 23 N HA -0.115 4.580 4.740 -0.076 0.000 0.178 23 N C 0.281 175.723 175.510 -0.113 0.000 1.018 23 N CA 2.559 55.548 53.050 -0.103 0.000 0.882 23 N CB 0.595 39.045 38.487 -0.062 0.000 0.984 23 N HN -0.264 7.776 8.380 -0.243 0.194 0.434 24 C N -4.233 114.967 119.300 -0.168 0.000 3.123 24 C HA 0.109 4.434 4.460 -0.226 0.000 0.399 24 C C -0.939 173.817 174.990 -0.389 0.000 1.320 24 C CA 0.011 58.862 59.018 -0.279 0.000 1.949 24 C CB 1.284 28.816 27.740 -0.346 0.000 2.692 24 C HN -0.680 7.451 8.230 -0.165 0.000 0.623 25 H N 2.353 121.324 119.070 -0.164 0.000 2.882 25 H HA 0.249 4.752 4.556 -0.087 0.000 0.258 25 H C -0.287 175.016 175.328 -0.043 0.000 1.579 25 H CA -0.487 55.495 56.048 -0.110 0.000 1.340 25 H CB -1.486 28.191 29.762 -0.142 0.000 1.645 25 H HN 0.363 8.553 8.280 -0.150 0.000 0.541 26 L N 1.066 122.297 121.223 0.014 0.000 2.599 26 L HA -0.035 4.325 4.340 0.033 0.000 0.230 26 L C -0.595 176.312 176.870 0.062 0.000 1.141 26 L CA 0.589 55.445 54.840 0.026 0.000 0.877 26 L CB -0.034 42.013 42.059 -0.019 0.000 1.009 26 L HN -0.786 7.517 8.230 -0.059 -0.109 0.447 27 A N -1.530 121.344 122.820 0.091 0.000 2.310 27 A HA 0.116 4.472 4.320 0.060 0.000 0.299 27 A C -1.289 176.360 177.584 0.108 0.000 1.147 27 A CA -0.825 51.262 52.037 0.082 0.000 0.818 27 A CB 1.054 20.099 19.000 0.075 0.000 1.096 27 A HN -0.477 7.690 8.150 0.114 0.052 0.495 28 S N 1.707 117.455 115.700 0.079 0.000 2.422 28 S HA 0.466 5.200 4.470 0.103 -0.202 0.298 28 S C -0.462 174.163 174.600 0.042 0.000 1.118 28 S CA -0.812 57.430 58.200 0.071 0.000 1.083 28 S CB 0.643 63.873 63.200 0.051 0.000 0.971 28 S HN 0.292 8.638 8.310 0.061 0.000 0.478 29 K N 7.238 127.650 120.400 0.020 0.000 2.371 29 K HA 0.539 4.872 4.320 0.021 0.000 0.251 29 K C -2.490 174.091 176.600 -0.032 0.000 0.934 29 K CA -3.564 52.729 56.287 0.010 0.000 0.798 29 K CB 2.658 35.177 32.500 0.032 0.000 1.204 29 K HN -0.030 8.087 8.250 0.009 0.138 0.427 30 P HA -0.043 4.349 4.420 -0.046 0.000 0.268 30 P C -1.791 175.482 177.300 -0.046 0.000 1.204 30 P CA -0.007 63.075 63.100 -0.031 0.000 0.768 30 P CB 0.438 32.134 31.700 -0.007 0.000 0.842 31 V N 3.604 123.474 119.914 -0.073 0.000 2.680 31 V HA 0.502 4.744 4.120 -0.042 -0.147 0.309 31 V C -0.725 175.347 176.094 -0.036 0.000 1.052 31 V CA -1.494 60.763 62.300 -0.071 0.000 0.908 31 V CB 3.699 35.430 31.823 -0.154 0.000 1.001 31 V HN 0.244 8.388 8.190 -0.077 0.000 0.431 32 D N 4.975 125.372 120.400 -0.005 0.000 2.527 32 D HA 0.343 4.979 4.640 -0.006 0.000 0.233 32 D C -1.801 174.512 176.300 0.021 0.000 1.063 32 D CA -1.010 52.994 54.000 0.006 0.000 0.880 32 D CB 4.324 45.134 40.800 0.018 0.000 1.457 32 D HN 0.498 8.771 8.370 0.010 0.103 0.475 33 I N 1.678 122.256 120.570 0.014 0.000 2.548 33 I HA 0.593 5.011 4.170 0.055 -0.215 0.287 33 I C -2.382 173.750 176.117 0.025 0.000 1.103 33 I CA -1.247 60.068 61.300 0.026 0.000 1.049 33 I CB 3.170 41.167 38.000 -0.004 0.000 1.232 33 I HN 0.268 8.481 8.210 0.004 0.000 0.429 34 E N 9.243 129.473 120.200 0.050 0.000 2.158 34 E HA 0.464 4.828 4.350 0.024 0.000 0.271 34 E C -2.284 174.355 176.600 0.064 0.000 0.911 34 E CA -1.064 55.362 56.400 0.045 0.000 0.767 34 E CB 2.691 32.422 29.700 0.051 0.000 1.120 34 E HN 0.674 8.965 8.360 0.074 0.114 0.405 35 V N 4.649 124.586 119.914 0.039 0.000 3.078 35 V HA 0.516 4.711 4.120 0.124 0.000 0.311 35 V C -2.043 174.056 176.094 0.008 0.000 1.138 35 V CA -4.401 57.929 62.300 0.051 0.000 1.007 35 V CB 3.491 35.315 31.823 0.003 0.000 1.045 35 V HN 0.345 8.543 8.190 0.013 0.000 0.432 36 P HA 0.138 4.561 4.420 0.006 0.000 0.271 36 P C -0.495 176.769 177.300 -0.061 0.000 1.218 36 P CA -0.729 62.359 63.100 -0.020 0.000 0.780 36 P CB 1.062 32.755 31.700 -0.010 0.000 0.901 37 Q N 0.389 120.166 119.800 -0.040 0.000 2.124 37 Q HA -0.298 4.011 4.340 -0.052 0.000 0.202 37 Q C 0.260 176.228 176.000 -0.053 0.000 0.977 37 Q CA 2.697 58.473 55.803 -0.045 0.000 0.850 37 Q CB 0.483 29.204 28.738 -0.028 0.000 0.901 37 Q HN 0.351 8.607 8.270 -0.022 0.000 0.429 38 A N -4.937 117.854 122.820 -0.047 0.000 2.572 38 A HA 0.324 4.835 4.320 -0.036 -0.212 0.295 38 A C -1.955 175.607 177.584 -0.036 0.000 1.072 38 A CA -1.250 50.767 52.037 -0.034 0.000 0.691 38 A CB 2.840 21.834 19.000 -0.010 0.000 1.291 38 A HN -0.705 7.406 8.150 -0.040 0.015 0.404 39 V N -4.359 115.545 119.914 -0.017 0.000 3.078 39 V HA 0.639 4.768 4.120 0.014 0.000 0.311 39 V C -1.687 174.450 176.094 0.071 0.000 1.138 39 V CA -2.616 59.686 62.300 0.004 0.000 1.007 39 V CB 3.229 35.004 31.823 -0.081 0.000 1.045 39 V HN 0.765 8.964 8.190 0.015 0.000 0.432 40 L N 1.884 123.154 121.223 0.079 0.000 2.431 40 L HA 0.708 5.277 4.340 0.122 -0.157 0.260 40 L C -1.350 175.588 176.870 0.113 0.000 1.098 40 L CA -3.667 51.234 54.840 0.101 0.000 0.800 40 L CB -0.388 41.712 42.059 0.069 0.000 1.210 40 L HN 0.169 8.444 8.230 0.074 0.000 0.465 41 P HA -0.002 4.583 4.420 0.020 -0.153 0.271 41 P C -0.960 176.357 177.300 0.027 0.000 1.218 41 P CA -0.230 62.914 63.100 0.074 0.000 0.780 41 P CB 0.673 32.450 31.700 0.128 0.000 0.901 42 D N -1.808 118.574 120.400 -0.030 0.000 2.751 42 D HA -0.460 4.242 4.640 -0.057 -0.096 0.233 42 D C -1.407 174.900 176.300 0.012 0.000 1.149 42 D CA 1.760 55.744 54.000 -0.026 0.000 0.682 42 D CB -0.376 40.415 40.800 -0.016 0.000 1.068 42 D HN 0.037 8.249 8.370 -0.085 0.107 0.429 43 T N -7.010 107.572 114.554 0.046 0.000 2.908 43 T HA 0.294 4.678 4.350 0.057 0.000 0.290 43 T C -1.237 173.543 174.700 0.134 0.000 1.034 43 T CA -2.052 60.100 62.100 0.086 0.000 1.010 43 T CB 2.582 71.515 68.868 0.109 0.000 1.068 43 T HN -0.772 7.485 8.240 0.045 0.011 0.481 44 V N 4.390 124.361 119.914 0.095 0.000 2.509 44 V HA 0.667 4.967 4.120 -0.014 -0.188 0.284 44 V C -0.165 176.019 176.094 0.151 0.000 1.047 44 V CA -0.242 62.086 62.300 0.046 0.000 0.952 44 V CB 0.685 32.498 31.823 -0.016 0.000 0.988 44 V HN 0.402 8.635 8.190 0.072 0.000 0.469 45 F N 5.199 125.176 119.950 0.044 0.000 2.650 45 F HA 0.621 5.174 4.527 0.044 0.000 0.320 45 F C -2.131 173.699 175.800 0.050 0.000 1.091 45 F CA -2.162 55.870 58.000 0.053 0.000 0.962 45 F CB 3.343 42.389 39.000 0.077 0.000 1.363 45 F HN 0.802 8.841 8.300 -0.434 0.000 0.482 46 E N -1.776 118.560 120.200 0.226 0.000 2.183 46 E HA 0.558 5.022 4.350 -0.073 -0.158 0.271 46 E C -1.279 175.473 176.600 0.254 0.000 0.919 46 E CA -2.294 54.165 56.400 0.097 0.000 0.781 46 E CB 2.253 32.006 29.700 0.088 0.000 1.140 46 E HN 0.085 8.664 8.360 0.363 0.000 0.402 47 A N 3.459 126.394 122.820 0.191 0.000 2.256 47 A HA 0.534 5.125 4.320 0.262 -0.114 0.317 47 A C -2.259 175.486 177.584 0.268 0.000 1.318 47 A CA -1.482 50.706 52.037 0.252 0.000 0.894 47 A CB 2.093 21.222 19.000 0.214 0.000 1.165 47 A HN 0.858 9.067 8.150 0.098 0.000 0.525 48 V N 7.284 127.319 119.914 0.201 0.000 2.350 48 V HA 0.884 5.354 4.120 0.221 -0.217 0.276 48 V C -2.094 174.112 176.094 0.188 0.000 1.028 48 V CA -2.497 59.917 62.300 0.190 0.000 0.860 48 V CB 2.027 33.925 31.823 0.124 0.000 0.990 48 V HN 0.562 8.852 8.190 0.166 0.000 0.453 49 V N 11.552 131.624 119.914 0.263 0.000 2.435 49 V HA 0.598 4.999 4.120 0.136 -0.199 0.290 49 V C -1.103 175.094 176.094 0.171 0.000 1.030 49 V CA -1.340 61.087 62.300 0.212 0.000 0.881 49 V CB 1.850 33.851 31.823 0.298 0.000 0.983 49 V HN 0.665 9.065 8.190 0.350 0.000 0.445 50 K N 7.006 127.473 120.400 0.112 0.000 2.307 50 K HA 0.577 5.127 4.320 0.120 -0.158 0.263 50 K C -1.022 175.629 176.600 0.086 0.000 0.973 50 K CA -1.087 55.260 56.287 0.099 0.000 0.846 50 K CB 2.126 34.669 32.500 0.071 0.000 1.100 50 K HN 0.825 9.002 8.250 0.086 0.124 0.438 51 I N 5.449 126.086 120.570 0.113 0.000 2.557 51 I HA 0.525 4.729 4.170 0.057 0.000 0.277 51 I C -2.571 173.655 176.117 0.182 0.000 1.106 51 I CA -3.017 58.343 61.300 0.101 0.000 1.180 51 I CB 0.931 38.983 38.000 0.087 0.000 1.392 51 I HN 0.582 8.875 8.210 0.138 0.000 0.506 52 P HA 0.134 4.652 4.420 0.164 0.000 0.275 52 P C -2.003 175.454 177.300 0.262 0.000 1.227 52 P CA -0.591 62.608 63.100 0.165 0.000 0.781 52 P CB 0.294 32.034 31.700 0.066 0.000 0.906 53 Y N -1.815 118.494 120.300 0.015 0.000 2.604 53 Y HA 0.251 4.809 4.550 0.015 0.000 0.331 53 Y C -2.283 173.626 175.900 0.015 0.000 1.158 53 Y CA -1.862 56.248 58.100 0.017 0.000 1.056 53 Y CB 1.353 39.826 38.460 0.023 0.000 1.330 53 Y HN -0.498 7.738 8.280 -0.072 0.000 0.457 54 D N 1.695 122.073 120.400 -0.035 0.000 2.382 54 D HA 0.011 4.548 4.640 -0.171 0.000 0.259 54 D C 0.798 177.018 176.300 -0.134 0.000 1.224 54 D CA 0.509 54.447 54.000 -0.103 0.000 0.894 54 D CB 0.379 41.186 40.800 0.011 0.000 1.127 54 D HN 0.173 8.622 8.370 0.130 0.000 0.487 55 M N 4.540 123.961 119.600 -0.297 0.000 2.296 55 M HA -0.271 4.095 4.480 -0.190 0.000 0.265 55 M C 0.433 176.752 176.300 0.032 0.000 1.064 55 M CA 2.219 57.411 55.300 -0.181 0.000 1.109 55 M CB 0.252 32.731 32.600 -0.202 0.000 1.396 55 M HN 0.426 8.527 8.290 -0.315 0.000 0.430 56 Q N -3.891 115.919 119.800 0.016 0.000 2.373 56 Q HA -0.078 4.288 4.340 0.043 0.000 0.206 56 Q C 0.326 176.367 176.000 0.068 0.000 0.942 56 Q CA -0.764 55.063 55.803 0.040 0.000 0.953 56 Q CB -0.534 28.215 28.738 0.018 0.000 1.022 56 Q HN -0.185 8.048 8.270 -0.017 0.027 0.502 57 L N 2.007 123.296 121.223 0.111 0.000 2.367 57 L HA -0.029 4.363 4.340 0.087 0.000 0.275 57 L C -0.977 175.956 176.870 0.105 0.000 1.129 57 L CA 0.298 55.209 54.840 0.119 0.000 0.839 57 L CB 0.471 42.636 42.059 0.177 0.000 1.133 57 L HN -0.892 7.298 8.230 0.137 0.123 0.453 58 K N 2.950 123.395 120.400 0.075 0.000 2.358 58 K HA 0.630 5.184 4.320 0.065 -0.195 0.260 58 K C -0.735 175.897 176.600 0.054 0.000 0.956 58 K CA -1.569 54.755 56.287 0.061 0.000 0.834 58 K CB 1.629 34.160 32.500 0.051 0.000 1.102 58 K HN 0.084 8.374 8.250 0.067 0.000 0.431 59 Q N 2.302 122.131 119.800 0.049 0.000 2.194 59 Q HA 0.342 4.709 4.340 0.045 0.000 0.245 59 Q C -0.954 175.073 176.000 0.045 0.000 0.993 59 Q CA -1.899 53.931 55.803 0.044 0.000 0.930 59 Q CB 2.440 31.199 28.738 0.035 0.000 1.238 59 Q HN 0.632 8.931 8.270 0.049 0.000 0.486 60 V N 1.083 121.024 119.914 0.046 0.000 2.372 60 V HA 0.026 4.285 4.120 0.047 -0.111 0.261 60 V C -0.991 175.137 176.094 0.056 0.000 1.055 60 V CA -0.066 62.263 62.300 0.049 0.000 0.930 60 V CB -1.554 30.299 31.823 0.052 0.000 1.031 60 V HN 0.623 8.840 8.190 0.044 0.000 0.479 61 L N 6.331 127.588 121.223 0.057 0.000 2.464 61 L HA -0.028 4.356 4.340 0.075 0.000 0.264 61 L C 1.082 178.000 176.870 0.079 0.000 1.199 61 L CA -0.674 54.207 54.840 0.069 0.000 0.818 61 L CB 1.273 43.369 42.059 0.061 0.000 1.102 61 L HN 0.578 8.839 8.230 0.051 0.000 0.473 62 A N 2.267 125.148 122.820 0.103 0.000 2.277 62 A HA -0.267 4.338 4.320 0.132 -0.206 0.208 62 A C -0.712 176.925 177.584 0.088 0.000 1.202 62 A CA 2.085 54.195 52.037 0.122 0.000 0.762 62 A CB -0.769 18.331 19.000 0.166 0.000 0.770 62 A HN 0.605 8.823 8.150 0.113 0.000 0.487 63 N N -6.510 112.229 118.700 0.065 0.000 2.197 63 N HA 0.017 4.781 4.740 0.041 0.000 0.228 63 N C 0.554 176.083 175.510 0.031 0.000 1.212 63 N CA -1.058 52.018 53.050 0.043 0.000 0.883 63 N CB -0.025 38.484 38.487 0.037 0.000 1.107 63 N HN -0.492 7.800 8.380 0.065 0.127 0.519 64 G N -0.050 108.772 108.800 0.037 0.000 2.284 64 G HA2 -0.514 3.602 3.960 0.030 0.000 0.230 64 G HA3 -0.514 3.454 3.960 0.014 0.000 0.230 64 G C -0.273 174.645 174.900 0.030 0.000 1.021 64 G CA 0.215 45.331 45.100 0.027 0.000 0.619 64 G HN 0.108 8.371 8.290 0.049 0.057 0.510 65 K N 1.563 121.981 120.400 0.031 0.000 2.230 65 K HA -0.039 4.297 4.320 0.027 0.000 0.253 65 K C -0.555 176.067 176.600 0.037 0.000 1.008 65 K CA -0.349 55.957 56.287 0.031 0.000 0.910 65 K CB 0.613 33.131 32.500 0.029 0.000 0.994 65 K HN -0.423 8.009 8.250 0.031 -0.163 0.495 66 K N -1.187 119.234 120.400 0.036 0.000 2.130 66 K HA 0.766 5.339 4.320 0.042 -0.227 0.268 66 K C 0.347 176.971 176.600 0.041 0.000 0.983 66 K CA -0.667 55.644 56.287 0.039 0.000 0.893 66 K CB 1.917 34.440 32.500 0.038 0.000 1.066 66 K HN 0.110 8.379 8.250 0.032 0.000 0.450 67 G N 0.649 109.475 108.800 0.044 0.000 2.749 67 G HA2 0.229 4.215 3.960 0.044 0.000 0.300 67 G HA3 0.229 4.216 3.960 0.046 0.000 0.300 67 G C -2.739 172.190 174.900 0.049 0.000 1.352 67 G CA -0.237 44.890 45.100 0.046 0.000 0.789 67 G HN 0.372 8.581 8.290 0.045 0.109 0.509 68 A N -2.046 120.804 122.820 0.050 0.000 2.272 68 A HA 0.286 4.647 4.320 0.068 0.000 0.275 68 A C -0.195 177.403 177.584 0.023 0.000 1.096 68 A CA -0.365 51.704 52.037 0.052 0.000 0.822 68 A CB 1.155 20.191 19.000 0.060 0.000 1.088 68 A HN 0.000 8.180 8.150 0.049 0.000 0.495 69 L N -1.444 119.767 121.223 -0.019 0.000 2.360 69 L HA 0.132 4.436 4.340 -0.060 0.000 0.271 69 L C -1.008 175.805 176.870 -0.095 0.000 1.057 69 L CA -0.386 54.390 54.840 -0.106 0.000 0.803 69 L CB 1.582 43.459 42.059 -0.303 0.000 1.207 69 L HN 0.254 8.488 8.230 0.006 0.000 0.445 70 N N 0.099 118.754 118.700 -0.074 0.000 2.314 70 N HA 0.456 5.314 4.740 0.002 -0.116 0.304 70 N C -1.650 173.826 175.510 -0.056 0.000 1.073 70 N CA -0.378 52.659 53.050 -0.021 0.000 0.822 70 N CB 3.592 42.107 38.487 0.047 0.000 1.280 70 N HN 0.236 8.571 8.380 -0.076 0.000 0.489 71 V N 1.252 121.159 119.914 -0.011 0.000 2.715 71 V HA 0.843 5.158 4.120 -0.042 -0.220 0.310 71 V C -1.085 175.033 176.094 0.040 0.000 1.054 71 V CA -2.326 59.973 62.300 -0.001 0.000 0.928 71 V CB 3.920 35.765 31.823 0.037 0.000 1.007 71 V HN 0.762 8.970 8.190 0.031 0.000 0.437 72 G N 2.964 111.792 108.800 0.048 0.000 2.672 72 G HA2 0.874 5.016 3.960 0.099 0.000 0.292 72 G HA3 0.874 4.873 3.960 0.066 0.000 0.292 72 G C -3.148 171.837 174.900 0.142 0.000 1.375 72 G CA -1.030 44.123 45.100 0.088 0.000 0.890 72 G HN 0.231 8.540 8.290 0.031 0.000 0.476 73 A N -1.435 121.501 122.820 0.193 0.000 2.612 73 A HA 0.963 5.575 4.320 0.187 -0.180 0.293 73 A C -2.886 174.808 177.584 0.183 0.000 1.075 73 A CA -0.814 51.350 52.037 0.211 0.000 0.680 73 A CB 4.355 23.544 19.000 0.316 0.000 1.279 73 A HN 0.731 8.996 8.150 0.192 0.000 0.411 74 V N 1.471 121.460 119.914 0.126 0.000 2.447 74 V HA 0.808 5.176 4.120 0.126 -0.173 0.292 74 V C -2.741 173.337 176.094 -0.027 0.000 1.021 74 V CA -2.425 59.935 62.300 0.100 0.000 0.850 74 V CB 3.432 35.353 31.823 0.162 0.000 1.005 74 V HN 0.146 8.406 8.190 0.116 0.000 0.426 75 L N 10.540 131.684 121.223 -0.132 0.000 2.272 75 L HA 0.531 4.886 4.340 -0.189 -0.128 0.289 75 L C -1.973 174.841 176.870 -0.094 0.000 1.032 75 L CA -1.183 53.525 54.840 -0.220 0.000 0.810 75 L CB 2.770 44.523 42.059 -0.509 0.000 1.205 75 L HN 1.044 9.108 8.230 -0.096 0.108 0.422 76 I N 6.875 127.423 120.570 -0.036 0.000 2.337 76 I HA 0.208 4.371 4.170 -0.012 0.000 0.285 76 I C -1.331 174.790 176.117 0.006 0.000 1.041 76 I CA -0.471 60.836 61.300 0.013 0.000 1.199 76 I CB -0.114 37.934 38.000 0.081 0.000 1.370 76 I HN 1.013 9.210 8.210 -0.021 0.000 0.470 77 L N 7.810 129.018 121.223 -0.026 0.000 2.376 77 L HA 0.500 4.745 4.340 -0.157 0.000 0.267 77 L C -1.921 174.911 176.870 -0.064 0.000 1.035 77 L CA -2.848 51.937 54.840 -0.091 0.000 0.800 77 L CB 0.290 42.314 42.059 -0.059 0.000 1.290 77 L HN 0.176 8.398 8.230 -0.012 0.000 0.462 78 P HA 0.065 4.476 4.420 -0.015 0.000 0.274 78 P C -1.079 176.235 177.300 0.024 0.000 1.246 78 P CA -1.188 61.856 63.100 -0.094 0.000 0.795 78 P CB 0.578 32.099 31.700 -0.298 0.000 1.006 79 E N -0.417 119.791 120.200 0.014 0.000 2.376 79 E HA -0.302 4.074 4.350 0.043 0.000 0.266 79 E C 0.775 177.393 176.600 0.030 0.000 1.009 79 E CA 1.706 58.123 56.400 0.028 0.000 0.902 79 E CB 0.016 29.721 29.700 0.009 0.000 0.972 79 E HN 0.216 8.575 8.360 -0.000 0.000 0.439 80 G N 2.679 111.496 108.800 0.028 0.000 2.424 80 G HA2 -0.292 3.618 3.960 -0.084 0.000 0.207 80 G HA3 -0.292 3.600 3.960 -0.113 0.000 0.207 80 G C -0.592 174.266 174.900 -0.070 0.000 1.061 80 G CA -0.478 44.587 45.100 -0.058 0.000 0.657 80 G HN 0.341 8.652 8.290 0.035 0.000 0.508 81 F N 4.232 124.136 119.950 -0.078 0.000 2.484 81 F HA 0.057 4.745 4.527 0.007 -0.157 0.360 81 F C -1.127 174.661 175.800 -0.020 0.000 1.101 81 F CA 1.043 59.034 58.000 -0.016 0.000 1.251 81 F CB 0.930 39.944 39.000 0.024 0.000 1.132 81 F HN -0.825 7.661 8.300 0.442 0.079 0.570 82 E N -1.065 119.193 120.200 0.096 0.000 2.460 82 E HA 0.511 5.058 4.350 0.061 -0.160 0.277 82 E C -1.799 174.793 176.600 -0.015 0.000 1.010 82 E CA -2.551 53.872 56.400 0.038 0.000 0.838 82 E CB 3.607 33.310 29.700 0.005 0.000 1.448 82 E HN -0.199 8.190 8.360 0.048 0.000 0.462 83 L N 1.293 122.503 121.223 -0.022 0.000 2.462 83 L HA -0.001 4.386 4.340 -0.132 -0.127 0.272 83 L C -0.220 176.607 176.870 -0.072 0.000 1.166 83 L CA 0.454 55.252 54.840 -0.069 0.000 0.880 83 L CB 0.810 42.861 42.059 -0.013 0.000 1.142 83 L HN 0.480 8.714 8.230 0.006 0.000 0.473 84 A N 7.851 130.599 122.820 -0.121 0.000 2.520 84 A HA 0.058 4.329 4.320 -0.081 0.000 0.245 84 A C -1.924 175.634 177.584 -0.044 0.000 1.072 84 A CA -1.229 50.753 52.037 -0.092 0.000 0.761 84 A CB -0.829 18.096 19.000 -0.124 0.000 1.004 84 A HN 0.440 8.375 8.150 -0.182 0.105 0.499 85 P HA 0.205 4.627 4.420 0.004 0.000 0.272 85 P C -0.821 176.479 177.300 -0.000 0.000 1.230 85 P CA -1.688 61.408 63.100 -0.007 0.000 0.788 85 P CB -0.751 30.944 31.700 -0.009 0.000 0.949 86 P HA -0.206 4.227 4.420 0.021 0.000 0.218 86 P C 0.834 178.139 177.300 0.008 0.000 1.149 86 P CA 2.322 65.431 63.100 0.015 0.000 0.817 86 P CB -0.004 31.708 31.700 0.020 0.000 0.785 87 D N -4.264 116.138 120.400 0.004 0.000 2.219 87 D HA -0.251 4.392 4.640 0.004 0.000 0.205 87 D C 0.430 176.730 176.300 0.000 0.000 0.970 87 D CA 1.971 55.973 54.000 0.003 0.000 0.851 87 D CB -1.316 39.485 40.800 0.001 0.000 0.943 87 D HN 0.276 8.629 8.370 0.003 0.019 0.488 88 R N -1.992 118.506 120.500 -0.004 0.000 2.317 88 R HA 0.068 4.406 4.340 -0.002 0.000 0.208 88 R C -0.381 175.914 176.300 -0.007 0.000 0.914 88 R CA -1.234 54.862 56.100 -0.007 0.000 1.060 88 R CB 0.279 30.570 30.300 -0.015 0.000 1.015 88 R HN -0.679 7.455 8.270 -0.006 0.132 0.498 89 I N 1.706 122.274 120.570 -0.004 0.000 2.337 89 I HA -0.050 4.114 4.170 -0.010 0.000 0.291 89 I C -0.649 175.472 176.117 0.007 0.000 1.046 89 I CA -0.153 61.146 61.300 -0.001 0.000 1.324 89 I CB 0.074 38.078 38.000 0.007 0.000 1.409 89 I HN -0.602 7.407 8.210 -0.000 0.201 0.494 90 S N 8.565 124.269 115.700 0.008 0.000 2.584 90 S HA 0.212 4.689 4.470 0.011 0.000 0.270 90 S C -0.358 174.251 174.600 0.015 0.000 1.346 90 S CA -1.638 56.569 58.200 0.012 0.000 1.018 90 S CB -0.122 63.086 63.200 0.014 0.000 0.899 90 S HN 0.208 8.521 8.310 0.005 0.000 0.542 91 P HA -0.045 4.385 4.420 0.017 0.000 0.225 91 P C 1.146 178.457 177.300 0.017 0.000 1.156 91 P CA 1.785 64.894 63.100 0.015 0.000 0.787 91 P CB 0.233 31.940 31.700 0.013 0.000 0.802 92 E N -2.629 117.582 120.200 0.017 0.000 2.274 92 E HA -0.146 4.215 4.350 0.017 0.000 0.194 92 E C 1.350 177.963 176.600 0.022 0.000 0.996 92 E CA 2.991 59.402 56.400 0.019 0.000 0.840 92 E CB -0.562 29.149 29.700 0.018 0.000 0.772 92 E HN 0.474 8.811 8.360 0.016 0.033 0.491 93 M N -2.020 117.593 119.600 0.022 0.000 2.414 93 M HA 0.043 4.540 4.480 0.028 0.000 0.251 93 M C 0.674 176.993 176.300 0.032 0.000 1.116 93 M CA 0.997 56.312 55.300 0.025 0.000 1.056 93 M CB 0.063 32.673 32.600 0.017 0.000 1.388 93 M HN -0.654 7.502 8.290 0.020 0.146 0.487 94 K N 0.783 121.201 120.400 0.030 0.000 2.097 94 K HA -0.355 3.991 4.320 0.044 0.000 0.205 94 K C 0.824 177.448 176.600 0.039 0.000 1.050 94 K CA 3.270 59.578 56.287 0.036 0.000 0.938 94 K CB -0.115 32.401 32.500 0.027 0.000 0.718 94 K HN -0.344 7.750 8.250 0.024 0.171 0.442 95 E N -4.583 115.636 120.200 0.033 0.000 2.285 95 E HA -0.157 4.213 4.350 0.033 0.000 0.194 95 E C 2.428 179.053 176.600 0.041 0.000 0.997 95 E CA 1.988 58.407 56.400 0.032 0.000 0.845 95 E CB -0.245 29.468 29.700 0.022 0.000 0.782 95 E HN -0.706 7.671 8.360 0.028 0.000 0.491 96 K N -0.688 119.738 120.400 0.043 0.000 2.031 96 K HA -0.200 4.146 4.320 0.043 0.000 0.205 96 K C 1.712 178.360 176.600 0.080 0.000 1.049 96 K CA 2.217 58.535 56.287 0.051 0.000 0.939 96 K CB 0.062 32.588 32.500 0.042 0.000 0.717 96 K HN -0.273 7.852 8.250 0.038 0.148 0.438 97 I N -8.376 112.246 120.570 0.086 0.000 3.334 97 I HA -0.108 4.139 4.170 0.128 0.000 0.282 97 I C 0.190 176.379 176.117 0.119 0.000 1.313 97 I CA 0.224 61.597 61.300 0.122 0.000 1.396 97 I CB -0.433 37.667 38.000 0.168 0.000 1.054 97 I HN -0.442 7.811 8.210 0.071 0.000 0.495 98 G N 1.088 109.964 108.800 0.128 0.000 2.646 98 G HA2 -0.507 3.519 3.960 0.110 0.000 0.324 98 G HA3 -0.507 3.633 3.960 0.299 0.000 0.324 98 G C -0.556 174.387 174.900 0.072 0.000 1.195 98 G CA 1.618 46.809 45.100 0.152 0.000 0.976 98 G HN -0.309 7.825 8.290 0.101 0.216 0.546 99 N N 2.183 120.901 118.700 0.031 0.000 2.545 99 N HA 0.023 4.735 4.740 -0.047 0.000 0.283 99 N C -0.578 174.815 175.510 -0.196 0.000 1.596 99 N CA -0.590 52.427 53.050 -0.054 0.000 0.862 99 N CB 0.663 39.141 38.487 -0.014 0.000 1.422 99 N HN -0.130 8.294 8.380 0.073 0.000 0.489 100 L N 1.202 122.207 121.223 -0.363 0.000 2.453 100 L HA 0.132 4.155 4.340 -0.528 0.000 0.261 100 L C 0.120 176.561 176.870 -0.716 0.000 1.179 100 L CA 0.381 54.834 54.840 -0.645 0.000 0.813 100 L CB 0.632 42.109 42.059 -0.969 0.000 1.110 100 L HN -0.719 7.334 8.230 -0.296 0.000 0.466 101 S N 0.796 116.120 115.700 -0.625 0.000 2.498 101 S HA 0.114 4.363 4.470 -0.368 0.000 0.324 101 S C -0.738 173.577 174.600 -0.474 0.000 1.071 101 S CA -0.827 57.110 58.200 -0.439 0.000 1.113 101 S CB 0.789 63.860 63.200 -0.214 0.000 0.976 101 S HN -0.193 7.788 8.310 -0.549 0.000 0.462 102 F N 5.082 125.028 119.950 -0.005 0.000 2.410 102 F HA 0.271 4.977 4.527 0.085 -0.128 0.348 102 F C 0.621 176.453 175.800 0.053 0.000 1.106 102 F CA -0.245 57.793 58.000 0.062 0.000 1.163 102 F CB 0.715 39.786 39.000 0.118 0.000 1.129 102 F HN 0.287 8.475 8.300 -0.187 0.000 0.516 103 Q N 1.547 121.475 119.800 0.214 0.000 2.297 103 Q HA 0.288 4.696 4.340 0.114 0.000 0.269 103 Q C -0.607 175.484 176.000 0.152 0.000 1.051 103 Q CA -1.982 53.899 55.803 0.131 0.000 0.869 103 Q CB 3.049 31.822 28.738 0.058 0.000 1.346 103 Q HN 0.691 9.103 8.270 0.236 0.000 0.457 104 N N -0.158 118.611 118.700 0.115 0.000 2.530 104 N HA 0.199 5.189 4.740 0.153 -0.158 0.277 104 N C 0.110 175.705 175.510 0.141 0.000 1.168 104 N CA -0.292 52.837 53.050 0.131 0.000 0.979 104 N CB 0.448 38.996 38.487 0.102 0.000 1.141 104 N HN 0.216 8.648 8.380 0.087 0.000 0.459 105 Y N 3.631 123.969 120.300 0.064 0.000 2.128 105 Y HA -0.355 4.435 4.550 0.071 -0.198 0.284 105 Y C -0.247 175.688 175.900 0.058 0.000 1.154 105 Y CA 3.906 62.044 58.100 0.064 0.000 1.149 105 Y CB 1.200 39.697 38.460 0.062 0.000 0.976 105 Y HN 0.310 8.766 8.280 0.294 0.000 0.505 106 R N -5.087 115.546 120.500 0.221 0.000 2.808 106 R HA 0.358 4.730 4.340 0.054 0.000 0.272 106 R C -1.736 174.621 176.300 0.094 0.000 0.995 106 R CA -2.862 53.314 56.100 0.126 0.000 0.917 106 R CB 2.249 32.658 30.300 0.182 0.000 1.217 106 R HN -0.787 7.646 8.270 0.271 0.000 0.471 107 P HA -0.105 4.344 4.420 0.048 0.000 0.220 107 P C -0.725 176.606 177.300 0.051 0.000 1.148 107 P CA 2.079 65.208 63.100 0.049 0.000 0.803 107 P CB 0.450 32.170 31.700 0.032 0.000 0.782 108 N N -6.196 112.539 118.700 0.058 0.000 2.373 108 N HA -0.130 4.634 4.740 0.040 0.000 0.181 108 N C -0.129 175.417 175.510 0.060 0.000 1.082 108 N CA 0.319 53.399 53.050 0.050 0.000 0.885 108 N CB -0.385 38.129 38.487 0.046 0.000 0.977 108 N HN -0.005 8.376 8.380 0.064 0.037 0.462 109 K N 0.834 121.284 120.400 0.083 0.000 2.229 109 K HA 0.232 4.591 4.320 0.064 0.000 0.247 109 K C -0.429 176.223 176.600 0.087 0.000 1.117 109 K CA -1.430 54.910 56.287 0.087 0.000 1.036 109 K CB -1.640 30.934 32.500 0.123 0.000 1.654 109 K HN -0.614 7.521 8.250 0.097 0.173 0.405 110 K N 1.215 121.653 120.400 0.064 0.000 2.487 110 K HA -0.220 4.143 4.320 0.071 0.000 0.192 110 K C -0.451 176.187 176.600 0.064 0.000 1.027 110 K CA 2.117 58.441 56.287 0.061 0.000 1.054 110 K CB -0.085 32.440 32.500 0.041 0.000 0.824 110 K HN -0.220 8.061 8.250 0.052 0.000 0.510 111 N N -3.765 114.973 118.700 0.064 0.000 2.236 111 N HA 0.011 4.937 4.740 0.080 -0.139 0.196 111 N C -1.578 173.960 175.510 0.046 0.000 1.114 111 N CA -0.423 52.665 53.050 0.064 0.000 0.859 111 N CB 0.548 39.072 38.487 0.061 0.000 0.982 111 N HN 0.049 8.384 8.380 0.061 0.081 0.493 112 I N 0.192 120.799 120.570 0.062 0.000 2.382 112 I HA 0.699 5.078 4.170 0.018 -0.197 0.286 112 I C -1.692 174.498 176.117 0.122 0.000 1.002 112 I CA -0.760 60.577 61.300 0.061 0.000 1.135 112 I CB 1.431 39.455 38.000 0.040 0.000 1.288 112 I HN -0.933 7.259 8.210 0.082 0.067 0.448 113 L N 7.801 129.074 121.223 0.083 0.000 2.346 113 L HA 0.914 5.542 4.340 0.177 -0.181 0.274 113 L C -1.081 175.896 176.870 0.179 0.000 1.007 113 L CA -1.480 53.441 54.840 0.136 0.000 0.818 113 L CB 3.054 45.166 42.059 0.089 0.000 1.284 113 L HN 0.751 8.991 8.230 0.016 0.000 0.424 114 V N -2.488 117.575 119.914 0.248 0.000 2.914 114 V HA 1.128 5.586 4.120 0.236 -0.196 0.314 114 V C -1.910 174.353 176.094 0.281 0.000 1.084 114 V CA -3.267 59.181 62.300 0.246 0.000 0.963 114 V CB 3.670 35.610 31.823 0.196 0.000 1.025 114 V HN 0.979 9.317 8.190 0.247 0.000 0.432 115 I N 1.893 122.623 120.570 0.267 0.000 2.841 115 I HA 0.464 4.678 4.170 0.073 0.000 0.298 115 I C -2.161 174.016 176.117 0.100 0.000 1.304 115 I CA -1.552 59.851 61.300 0.171 0.000 1.019 115 I CB 3.222 41.384 38.000 0.270 0.000 1.282 115 I HN 0.118 8.480 8.210 0.254 0.000 0.432 116 G N 5.053 113.861 108.800 0.012 0.000 2.484 116 G HA2 -0.156 3.904 3.960 0.003 0.000 0.685 116 G HA3 -0.156 3.852 3.960 0.080 0.000 0.685 116 G C -3.026 171.918 174.900 0.074 0.000 1.294 116 G CA -0.967 44.158 45.100 0.042 0.000 0.879 116 G HN 0.272 8.531 8.290 -0.053 0.000 0.646 117 P HA 0.230 4.882 4.420 0.123 -0.159 0.282 117 P C -1.270 176.061 177.300 0.052 0.000 1.262 117 P CA -0.788 62.397 63.100 0.142 0.000 0.773 117 P CB 0.477 32.361 31.700 0.307 0.000 0.879 118 V N 0.885 120.820 119.914 0.035 0.000 2.919 118 V HA 0.547 4.672 4.120 0.010 0.000 0.316 118 V C -2.381 173.795 176.094 0.136 0.000 1.077 118 V CA -4.401 57.916 62.300 0.028 0.000 0.977 118 V CB 1.607 33.352 31.823 -0.129 0.000 1.039 118 V HN 0.634 8.854 8.190 0.049 0.000 0.441 119 P HA -0.094 4.391 4.420 0.109 0.000 0.267 119 P C 0.635 178.033 177.300 0.164 0.000 1.205 119 P CA -0.062 63.139 63.100 0.167 0.000 0.765 119 P CB 0.384 32.177 31.700 0.156 0.000 0.828 120 G N 1.838 110.688 108.800 0.083 0.000 2.434 120 G HA2 -0.353 3.639 3.960 0.052 0.000 0.214 120 G HA3 -0.353 3.630 3.960 -0.086 -0.074 0.214 120 G C 0.093 175.122 174.900 0.215 0.000 1.202 120 G CA 1.340 46.478 45.100 0.062 0.000 0.788 120 G HN 0.210 8.532 8.290 0.052 0.000 0.539 121 Q N -2.036 117.886 119.800 0.204 0.000 2.443 121 Q HA -0.209 4.253 4.340 0.204 0.000 0.213 121 Q C 1.392 177.401 176.000 0.014 0.000 0.982 121 Q CA 1.989 57.880 55.803 0.146 0.000 0.894 121 Q CB -0.235 28.559 28.738 0.092 0.000 0.947 121 Q HN 0.314 8.684 8.270 0.167 0.000 0.480 122 K N -2.411 117.959 120.400 -0.051 0.000 2.225 122 K HA 0.087 4.242 4.320 -0.275 0.000 0.204 122 K C 1.140 177.462 176.600 -0.463 0.000 1.047 122 K CA 1.071 57.163 56.287 -0.325 0.000 0.970 122 K CB 1.586 33.798 32.500 -0.481 0.000 0.939 122 K HN -0.614 7.476 8.250 0.023 0.173 0.472 123 Y N -1.090 119.239 120.300 0.050 0.000 2.783 123 Y HA 0.230 4.798 4.550 0.029 0.000 0.382 123 Y C -0.075 175.872 175.900 0.079 0.000 1.076 123 Y CA -1.193 56.931 58.100 0.041 0.000 1.530 123 Y CB -1.421 37.044 38.460 0.009 0.000 1.546 123 Y HN -0.245 8.087 8.280 0.087 0.000 0.537 124 S N -0.871 114.943 115.700 0.189 0.000 2.428 124 S HA -0.141 4.479 4.470 0.251 0.000 0.230 124 S C -0.537 174.168 174.600 0.174 0.000 1.014 124 S CA 2.470 60.803 58.200 0.222 0.000 0.957 124 S CB 1.218 64.555 63.200 0.229 0.000 0.784 124 S HN -0.196 8.182 8.310 0.114 0.000 0.499 125 E N -0.994 119.294 120.200 0.147 0.000 2.165 125 E HA 0.805 5.442 4.350 0.142 -0.202 0.266 125 E C -1.321 175.372 176.600 0.155 0.000 0.889 125 E CA -1.975 54.506 56.400 0.134 0.000 0.756 125 E CB 1.919 31.673 29.700 0.091 0.000 1.131 125 E HN -0.486 7.928 8.360 0.129 0.024 0.411 126 I N 5.254 125.914 120.570 0.150 0.000 2.493 126 I HA 0.314 4.527 4.170 0.072 0.000 0.298 126 I C -1.122 174.969 176.117 -0.043 0.000 0.998 126 I CA -1.033 60.285 61.300 0.029 0.000 1.137 126 I CB 3.497 41.457 38.000 -0.067 0.000 1.310 126 I HN 0.569 8.890 8.210 0.185 0.000 0.445 127 T N 7.054 121.518 114.554 -0.150 0.000 2.772 127 T HA 0.380 4.919 4.350 0.057 -0.155 0.288 127 T C -0.992 173.522 174.700 -0.310 0.000 0.994 127 T CA -0.600 61.450 62.100 -0.082 0.000 0.951 127 T CB 0.708 69.577 68.868 0.003 0.000 0.933 127 T HN 0.312 8.475 8.240 -0.128 0.000 0.447 128 F N 6.314 126.191 119.950 -0.121 0.000 2.415 128 F HA 0.347 4.361 4.527 -0.856 0.000 0.348 128 F C -2.046 173.504 175.800 -0.417 0.000 1.119 128 F CA -2.832 54.897 58.000 -0.452 0.000 1.069 128 F CB 1.458 40.237 39.000 -0.368 0.000 1.124 128 F HN 0.503 8.995 8.300 0.320 0.000 0.472 129 P HA 0.391 4.779 4.420 -0.283 -0.137 0.288 129 P C -1.496 175.556 177.300 -0.414 0.000 1.363 129 P CA -0.601 62.306 63.100 -0.320 0.000 0.837 129 P CB -0.432 31.134 31.700 -0.224 0.000 0.981 130 I N 4.612 124.761 120.570 -0.702 0.000 2.607 130 I HA 0.565 4.650 4.170 -0.369 -0.136 0.305 130 I C -1.382 174.376 176.117 -0.598 0.000 0.995 130 I CA -2.949 57.927 61.300 -0.707 0.000 1.148 130 I CB 2.940 40.381 38.000 -0.932 0.000 1.323 130 I HN 0.633 8.284 8.210 -0.931 0.000 0.461 131 L N 4.569 125.661 121.223 -0.217 0.000 2.287 131 L HA 0.461 4.910 4.340 -0.063 -0.147 0.287 131 L C -1.947 174.892 176.870 -0.051 0.000 1.022 131 L CA -1.803 52.983 54.840 -0.090 0.000 0.814 131 L CB 3.176 45.180 42.059 -0.093 0.000 1.217 131 L HN 0.490 8.634 8.230 -0.143 0.000 0.420 132 A N 7.342 130.183 122.820 0.035 0.000 2.388 132 A HA 0.428 4.063 4.320 -1.141 0.000 0.257 132 A C -2.974 174.319 177.584 -0.485 0.000 1.095 132 A CA -2.366 49.433 52.037 -0.397 0.000 0.791 132 A CB -0.561 18.407 19.000 -0.052 0.000 1.029 132 A HN 0.639 8.892 8.150 0.172 0.000 0.489 133 P HA 0.004 4.222 4.420 -0.337 0.000 0.277 133 P C -1.804 175.320 177.300 -0.294 0.000 1.271 133 P CA -0.648 62.179 63.100 -0.455 0.000 0.795 133 P CB 1.444 32.840 31.700 -0.506 0.000 1.101 134 D N -2.799 117.466 120.400 -0.225 0.000 2.502 134 D HA 0.296 4.847 4.640 -0.149 0.000 0.249 134 D C 0.218 176.384 176.300 -0.223 0.000 1.092 134 D CA -3.610 50.289 54.000 -0.170 0.000 0.839 134 D CB 3.416 44.159 40.800 -0.095 0.000 1.264 134 D HN -0.039 8.199 8.370 -0.219 0.000 0.511 135 P HA 0.031 4.336 4.420 -0.381 -0.114 0.216 135 P C 0.601 177.791 177.300 -0.184 0.000 1.153 135 P CA 1.517 64.402 63.100 -0.358 0.000 0.844 135 P CB 0.828 32.137 31.700 -0.652 0.000 0.787 136 A N -2.911 119.850 122.820 -0.099 0.000 2.248 136 A HA -0.082 4.226 4.320 -0.021 0.000 0.210 136 A C 0.513 178.070 177.584 -0.045 0.000 1.174 136 A CA 2.164 54.182 52.037 -0.033 0.000 0.750 136 A CB -0.895 18.114 19.000 0.015 0.000 0.780 136 A HN -0.133 8.061 8.150 -0.086 -0.096 0.478 137 T N -3.136 111.371 114.554 -0.078 0.000 3.004 137 T HA 0.130 4.451 4.350 -0.050 0.000 0.266 137 T C -1.115 173.530 174.700 -0.091 0.000 0.986 137 T CA 0.216 62.274 62.100 -0.071 0.000 0.902 137 T CB 1.604 70.430 68.868 -0.071 0.000 1.118 137 T HN -0.561 7.414 8.240 -0.111 0.199 0.522 138 N N 1.897 120.521 118.700 -0.126 0.000 2.571 138 N HA 0.058 4.738 4.740 -0.100 0.000 0.286 138 N C -0.229 175.176 175.510 -0.175 0.000 1.138 138 N CA -0.509 52.457 53.050 -0.139 0.000 0.859 138 N CB 1.448 39.834 38.487 -0.168 0.000 1.414 138 N HN -0.300 7.856 8.380 -0.146 0.137 0.529 139 K N 3.487 123.821 120.400 -0.111 0.000 2.574 139 K HA -0.130 4.150 4.320 -0.066 0.000 0.193 139 K C -0.146 176.380 176.600 -0.122 0.000 1.035 139 K CA 1.934 58.176 56.287 -0.075 0.000 0.982 139 K CB -0.296 32.205 32.500 0.002 0.000 0.795 139 K HN 0.368 8.573 8.250 -0.075 0.000 0.491 140 D N -3.107 117.166 120.400 -0.210 0.000 2.392 140 D HA 0.101 4.764 4.640 0.038 0.000 0.206 140 D C -1.046 174.976 176.300 -0.463 0.000 1.046 140 D CA 1.122 55.020 54.000 -0.170 0.000 0.865 140 D CB 1.793 42.558 40.800 -0.057 0.000 0.969 140 D HN -0.693 7.663 8.370 -0.192 -0.102 0.509 141 V N -1.403 118.147 119.914 -0.607 0.000 2.567 141 V HA -0.022 3.891 4.120 -0.346 0.000 0.289 141 V C -0.833 174.732 176.094 -0.883 0.000 1.049 141 V CA -0.429 61.541 62.300 -0.549 0.000 0.969 141 V CB 0.286 31.880 31.823 -0.381 0.000 0.995 141 V HN -0.791 7.105 8.190 -0.490 0.000 0.471 142 H N 5.405 124.469 119.070 -0.009 0.000 2.977 142 H HA 0.198 4.576 4.556 -0.297 0.000 0.350 142 H C -1.094 174.233 175.328 -0.001 0.000 1.238 142 H CA -1.458 54.542 56.048 -0.080 0.000 1.124 142 H CB 4.000 33.798 29.762 0.059 0.000 1.866 142 H HN -0.251 8.062 8.280 0.056 0.000 0.550 143 F N -0.193 119.929 119.950 0.286 0.000 2.502 143 F HA -0.062 4.701 4.527 0.224 -0.102 0.371 143 F C 0.016 175.921 175.800 0.174 0.000 1.083 143 F CA 1.189 59.313 58.000 0.206 0.000 1.174 143 F CB -0.481 38.590 39.000 0.118 0.000 1.096 143 F HN 0.277 8.592 8.300 0.025 0.000 0.545 144 L N 2.804 124.227 121.223 0.332 0.000 3.170 144 L HA 0.145 4.504 4.340 0.032 0.000 0.286 144 L C -1.804 174.982 176.870 -0.141 0.000 1.006 144 L CA -0.755 54.090 54.840 0.008 0.000 0.993 144 L CB 4.491 46.431 42.059 -0.197 0.000 1.549 144 L HN -0.424 8.077 8.230 0.453 0.000 0.387 145 K N 0.096 120.320 120.400 -0.292 0.000 2.258 145 K HA 0.460 4.933 4.320 -0.094 -0.210 0.284 145 K C -0.591 175.716 176.600 -0.489 0.000 1.051 145 K CA 0.477 56.617 56.287 -0.244 0.000 0.923 145 K CB 0.586 32.989 32.500 -0.161 0.000 1.046 145 K HN 0.075 8.163 8.250 -0.271 0.000 0.474 146 Y N 3.851 124.103 120.300 -0.079 0.000 2.499 146 Y HA 0.343 4.850 4.550 -0.071 0.000 0.347 146 Y C -2.374 173.404 175.900 -0.205 0.000 0.987 146 Y CA -2.540 55.486 58.100 -0.122 0.000 1.044 146 Y CB 2.522 40.885 38.460 -0.161 0.000 1.245 146 Y HN 0.505 8.797 8.280 0.020 0.000 0.461 147 P HA 0.504 4.872 4.420 -0.316 -0.138 0.282 147 P C -1.461 175.584 177.300 -0.426 0.000 1.249 147 P CA -0.706 62.223 63.100 -0.285 0.000 0.806 147 P CB 1.074 32.646 31.700 -0.213 0.000 0.984 148 I N 0.292 120.490 120.570 -0.620 0.000 2.499 148 I HA 0.356 4.463 4.170 -0.349 -0.147 0.288 148 I C -1.467 174.269 176.117 -0.634 0.000 1.048 148 I CA -0.841 60.172 61.300 -0.478 0.000 1.062 148 I CB 3.681 41.504 38.000 -0.295 0.000 1.238 148 I HN 0.440 8.253 8.210 -0.662 0.000 0.426 149 Y N 5.527 125.780 120.300 -0.078 0.000 2.429 149 Y HA 0.549 5.214 4.550 -0.059 -0.150 0.342 149 Y C -1.530 174.322 175.900 -0.079 0.000 1.004 149 Y CA -1.708 56.352 58.100 -0.066 0.000 1.075 149 Y CB 3.137 41.565 38.460 -0.054 0.000 1.214 149 Y HN 0.568 8.811 8.280 -0.061 0.000 0.455 150 V N 1.488 121.448 119.914 0.077 0.000 2.876 150 V HA 1.013 5.334 4.120 -0.012 -0.209 0.312 150 V C -2.045 174.053 176.094 0.006 0.000 1.085 150 V CA -3.118 59.183 62.300 0.001 0.000 0.945 150 V CB 4.714 36.505 31.823 -0.053 0.000 1.017 150 V HN -0.090 8.159 8.190 0.100 0.000 0.428 151 G N 4.374 113.195 108.800 0.034 0.000 2.530 151 G HA2 0.626 4.598 3.960 -0.236 0.000 0.316 151 G HA3 0.626 4.827 3.960 0.402 0.000 0.316 151 G C -2.576 172.315 174.900 -0.016 0.000 1.298 151 G CA -1.181 43.940 45.100 0.036 0.000 0.948 151 G HN 0.216 8.531 8.290 0.042 0.000 0.486 152 G N 1.391 109.985 108.800 -0.343 0.000 2.590 152 G HA2 0.607 4.743 3.960 0.055 0.000 0.310 152 G HA3 0.607 4.502 3.960 -0.108 0.000 0.310 152 G C -3.050 171.799 174.900 -0.085 0.000 1.347 152 G CA -1.241 43.795 45.100 -0.106 0.000 0.963 152 G HN 0.356 8.126 8.290 -0.868 0.000 0.494 153 N N 3.670 122.420 118.700 0.083 0.000 2.262 153 N HA 0.868 5.861 4.740 0.107 -0.189 0.295 153 N C -2.159 173.329 175.510 -0.037 0.000 1.161 153 N CA -1.305 51.787 53.050 0.069 0.000 0.767 153 N CB 4.207 42.669 38.487 -0.042 0.000 1.499 153 N HN 0.144 8.576 8.380 0.087 0.000 0.476 154 R N 2.074 122.540 120.500 -0.056 0.000 2.512 154 R HA 0.981 5.503 4.340 -0.126 -0.258 0.291 154 R C -1.623 174.627 176.300 -0.085 0.000 1.097 154 R CA -2.121 53.909 56.100 -0.117 0.000 0.940 154 R CB 2.241 32.424 30.300 -0.196 0.000 1.198 154 R HN -0.005 8.255 8.270 -0.018 0.000 0.429 155 G N 4.459 113.212 108.800 -0.079 0.000 2.459 155 G HA2 -0.245 3.924 3.960 -0.036 0.000 0.685 155 G HA3 -0.245 3.718 3.960 0.004 0.000 0.685 155 G C -1.733 173.182 174.900 0.026 0.000 1.303 155 G CA -0.421 44.666 45.100 -0.021 0.000 0.907 155 G HN 0.257 8.489 8.290 -0.097 0.000 0.632 156 R N 0.439 120.952 120.500 0.020 0.000 2.490 156 R HA 0.121 4.438 4.340 -0.038 0.000 0.280 156 R C 0.499 176.780 176.300 -0.031 0.000 1.077 156 R CA -0.342 55.755 56.100 -0.006 0.000 1.065 156 R CB 0.720 31.018 30.300 -0.003 0.000 1.003 156 R HN -0.213 8.218 8.270 0.015 -0.153 0.470 157 G N 0.410 109.096 108.800 -0.191 0.000 2.599 157 G HA2 0.079 3.740 3.960 -0.498 0.000 0.264 157 G HA3 0.079 3.478 3.960 -0.935 0.000 0.264 157 G C -0.890 173.777 174.900 -0.389 0.000 1.200 157 G CA -0.550 44.223 45.100 -0.545 0.000 0.896 157 G HN 0.012 8.194 8.290 -0.180 0.000 0.536 158 Q N -1.408 118.171 119.800 -0.370 0.000 2.396 158 Q HA 0.243 4.448 4.340 -0.225 0.000 0.220 158 Q C 0.402 176.200 176.000 -0.338 0.000 0.900 158 Q CA 1.216 56.857 55.803 -0.270 0.000 0.925 158 Q CB 2.175 30.814 28.738 -0.164 0.000 1.065 158 Q HN 0.051 8.076 8.270 -0.409 0.000 0.535 159 I N -1.171 119.169 120.570 -0.383 0.000 2.493 159 I HA 0.162 4.321 4.170 -0.259 -0.144 0.298 159 I C -0.711 175.140 176.117 -0.444 0.000 0.998 159 I CA -0.718 60.387 61.300 -0.325 0.000 1.137 159 I CB 2.458 40.333 38.000 -0.208 0.000 1.310 159 I HN -0.966 7.000 8.210 -0.406 0.000 0.445 160 Y N 5.591 125.777 120.300 -0.190 0.000 2.418 160 Y HA 0.198 4.520 4.550 -0.380 0.000 0.327 160 Y C 0.196 175.867 175.900 -0.381 0.000 1.309 160 Y CA -1.173 56.750 58.100 -0.294 0.000 1.423 160 Y CB -0.355 38.004 38.460 -0.168 0.000 1.423 160 Y HN 0.605 8.740 8.280 -0.069 0.103 0.532 161 P HA -0.089 4.146 4.420 -0.308 0.000 0.225 161 P C -1.049 176.176 177.300 -0.125 0.000 1.156 161 P CA 1.560 64.475 63.100 -0.307 0.000 0.787 161 P CB -0.064 31.412 31.700 -0.373 0.000 0.802 162 D N -4.418 115.941 120.400 -0.069 0.000 2.339 162 D HA -0.085 4.527 4.640 -0.046 0.000 0.217 162 D C 0.809 177.094 176.300 -0.025 0.000 1.050 162 D CA -0.257 53.719 54.000 -0.040 0.000 0.856 162 D CB -0.439 40.342 40.800 -0.031 0.000 0.922 162 D HN -0.210 8.092 8.370 -0.046 0.040 0.518 163 G N 0.139 108.926 108.800 -0.021 0.000 2.176 163 G HA2 -0.368 3.567 3.960 -0.041 0.000 0.232 163 G HA3 -0.368 3.576 3.960 -0.026 0.000 0.232 163 G C -0.434 174.467 174.900 0.002 0.000 0.986 163 G CA -0.246 44.840 45.100 -0.023 0.000 0.643 163 G HN -0.486 7.617 8.290 -0.027 0.171 0.522 164 S N 1.557 117.293 115.700 0.059 0.000 2.565 164 S HA 0.018 4.517 4.470 0.048 0.000 0.274 164 S C -0.386 174.297 174.600 0.139 0.000 1.309 164 S CA 0.790 59.054 58.200 0.106 0.000 1.043 164 S CB 1.130 64.416 63.200 0.143 0.000 0.939 164 S HN -0.521 7.933 8.310 0.075 -0.098 0.504 165 K N 3.687 124.128 120.400 0.068 0.000 2.126 165 K HA 0.448 4.900 4.320 -0.082 -0.181 0.257 165 K C 0.404 177.085 176.600 0.135 0.000 1.007 165 K CA -0.120 56.168 56.287 0.002 0.000 0.928 165 K CB 1.530 33.973 32.500 -0.094 0.000 1.013 165 K HN 0.310 8.584 8.250 0.041 0.000 0.473 166 S N 1.585 117.284 115.700 -0.002 0.000 2.718 166 S HA 0.173 4.923 4.470 0.466 0.000 0.292 166 S C 0.110 174.818 174.600 0.180 0.000 1.125 166 S CA -1.200 57.077 58.200 0.129 0.000 1.013 166 S CB 2.294 65.365 63.200 -0.214 0.000 1.192 166 S HN 0.437 8.672 8.310 -0.125 0.000 0.535 167 N N -2.991 115.821 118.700 0.186 0.000 2.370 167 N HA -0.074 4.828 4.740 0.271 0.000 0.198 167 N C -0.725 174.859 175.510 0.123 0.000 1.156 167 N CA 0.306 53.464 53.050 0.179 0.000 0.839 167 N CB -0.442 38.118 38.487 0.122 0.000 0.989 167 N HN 0.345 8.839 8.380 0.191 0.000 0.468 168 N N -0.202 118.542 118.700 0.074 0.000 2.558 168 N HA 0.092 4.865 4.740 0.055 0.000 0.281 168 N C -1.332 174.195 175.510 0.029 0.000 1.219 168 N CA 0.200 53.274 53.050 0.039 0.000 0.942 168 N CB 0.583 39.070 38.487 -0.001 0.000 1.241 168 N HN -0.637 7.676 8.380 0.049 0.097 0.511 169 T N -1.962 112.635 114.554 0.072 0.000 2.762 169 T HA 0.149 4.516 4.350 0.028 0.000 0.301 169 T C -1.957 172.811 174.700 0.114 0.000 1.299 169 T CA -1.895 60.235 62.100 0.050 0.000 1.005 169 T CB 2.413 71.274 68.868 -0.011 0.000 1.377 169 T HN -0.689 7.542 8.240 0.129 0.087 0.504 170 V N -0.156 119.798 119.914 0.066 0.000 2.775 170 V HA -0.171 4.031 4.120 0.137 0.000 0.299 170 V C -1.327 174.829 176.094 0.103 0.000 1.062 170 V CA -0.126 62.233 62.300 0.097 0.000 1.063 170 V CB 0.246 32.094 31.823 0.042 0.000 0.994 170 V HN 0.002 8.206 8.190 0.023 0.000 0.483 171 Y N 5.647 125.953 120.300 0.009 0.000 2.342 171 Y HA 0.115 4.673 4.550 0.013 0.000 0.338 171 Y C -1.586 174.318 175.900 0.006 0.000 0.965 171 Y CA -0.674 57.434 58.100 0.013 0.000 1.159 171 Y CB 1.917 40.392 38.460 0.025 0.000 1.157 171 Y HN -0.237 8.205 8.280 0.270 0.000 0.486 172 N N 4.934 123.633 118.700 -0.002 0.000 2.405 172 N HA 0.489 5.413 4.740 0.036 -0.163 0.299 172 N C -1.320 174.206 175.510 0.026 0.000 1.075 172 N CA -1.292 51.765 53.050 0.011 0.000 0.884 172 N CB 2.692 41.161 38.487 -0.029 0.000 1.194 172 N HN 0.238 8.530 8.380 -0.147 0.000 0.491 173 A N 2.103 124.943 122.820 0.033 0.000 2.520 173 A HA -0.029 4.323 4.320 0.053 0.000 0.245 173 A C 0.919 178.513 177.584 0.018 0.000 1.072 173 A CA 0.494 52.552 52.037 0.034 0.000 0.761 173 A CB 0.482 19.497 19.000 0.025 0.000 1.004 173 A HN 0.589 8.756 8.150 0.029 0.000 0.499 174 T N -0.047 114.521 114.554 0.022 0.000 3.160 174 T HA -0.193 4.157 4.350 -0.000 0.000 0.257 174 T C -0.581 174.125 174.700 0.009 0.000 1.147 174 T CA 0.672 62.778 62.100 0.011 0.000 1.064 174 T CB -0.231 68.647 68.868 0.016 0.000 0.949 174 T HN -0.005 8.657 8.240 0.037 -0.401 0.526 175 A N -1.044 121.783 122.820 0.012 0.000 2.594 175 A HA 0.275 4.598 4.320 0.006 0.000 0.296 175 A C -1.892 175.697 177.584 0.009 0.000 1.061 175 A CA -0.604 51.438 52.037 0.009 0.000 0.689 175 A CB 2.681 21.688 19.000 0.011 0.000 1.280 175 A HN -0.949 7.140 8.150 0.016 0.071 0.406 176 G N -1.871 106.933 108.800 0.006 0.000 2.621 176 G HA2 0.508 4.526 3.960 0.006 0.000 0.271 176 G HA3 0.508 4.471 3.960 0.004 0.000 0.271 176 G C -1.304 173.600 174.900 0.007 0.000 1.236 176 G CA -1.261 43.843 45.100 0.006 0.000 0.958 176 G HN 0.256 8.549 8.290 0.005 0.000 0.512 177 G N -2.157 106.646 108.800 0.006 0.000 2.293 177 G HA2 -0.160 3.803 3.960 0.005 0.000 0.282 177 G HA3 -0.160 3.934 3.960 0.007 -0.130 0.282 177 G C -2.902 172.001 174.900 0.005 0.000 1.299 177 G CA -0.380 44.723 45.100 0.006 0.000 1.018 177 G HN 0.110 8.403 8.290 0.005 0.000 0.478 178 I N 0.440 121.013 120.570 0.005 0.000 2.441 178 I HA 0.804 5.183 4.170 0.003 -0.206 0.295 178 I C -1.195 174.926 176.117 0.006 0.000 0.994 178 I CA -2.893 58.410 61.300 0.004 0.000 1.144 178 I CB 3.447 41.449 38.000 0.004 0.000 1.314 178 I HN -0.370 7.843 8.210 0.006 0.000 0.445 179 I N 7.939 128.512 120.570 0.004 0.000 2.505 179 I HA 0.047 4.389 4.170 0.009 -0.166 0.287 179 I C 0.417 176.538 176.117 0.006 0.000 1.104 179 I CA 0.871 62.175 61.300 0.006 0.000 1.387 179 I CB -0.658 37.343 38.000 0.001 0.000 1.404 179 I HN 0.431 8.642 8.210 0.002 0.000 0.528 180 S N 8.580 124.286 115.700 0.009 0.000 2.456 180 S HA -0.018 4.456 4.470 0.007 0.000 0.224 180 S C -0.093 174.513 174.600 0.011 0.000 1.035 180 S CA 1.231 59.436 58.200 0.009 0.000 0.940 180 S CB 0.956 64.162 63.200 0.010 0.000 0.799 180 S HN 0.684 9.001 8.310 0.011 0.000 0.508 181 K N -0.031 120.377 120.400 0.014 0.000 2.568 181 K HA 0.233 4.813 4.320 0.016 -0.250 0.273 181 K C -2.709 173.906 176.600 0.025 0.000 0.951 181 K CA -0.353 55.946 56.287 0.018 0.000 0.854 181 K CB 3.547 36.059 32.500 0.020 0.000 1.424 181 K HN -0.859 7.401 8.250 0.015 0.000 0.427 182 I N 2.481 123.070 120.570 0.031 0.000 2.466 182 I HA 0.255 4.589 4.170 0.052 -0.133 0.279 182 I C -1.290 174.877 176.117 0.083 0.000 1.033 182 I CA -0.983 60.346 61.300 0.048 0.000 1.123 182 I CB 1.454 39.465 38.000 0.018 0.000 1.237 182 I HN 0.394 8.621 8.210 0.028 0.000 0.460 183 L N 8.769 130.049 121.223 0.095 0.000 2.312 183 L HA 0.192 4.572 4.340 0.067 0.000 0.287 183 L C -1.329 175.617 176.870 0.127 0.000 1.091 183 L CA -0.927 53.964 54.840 0.085 0.000 0.846 183 L CB 0.802 42.891 42.059 0.049 0.000 1.219 183 L HN 0.850 9.132 8.230 0.087 0.000 0.439 184 R N 6.764 127.347 120.500 0.139 0.000 2.421 184 R HA -0.084 4.387 4.340 0.219 0.000 0.305 184 R C -0.138 176.112 176.300 -0.083 0.000 1.039 184 R CA 0.711 56.873 56.100 0.104 0.000 1.003 184 R CB -0.121 30.265 30.300 0.142 0.000 0.959 184 R HN 0.039 8.377 8.270 0.113 0.000 0.427 185 K N 4.396 124.638 120.400 -0.263 0.000 2.295 185 K HA -0.005 4.245 4.320 -0.117 0.000 0.270 185 K C 1.861 178.368 176.600 -0.154 0.000 1.011 185 K CA -0.233 55.937 56.287 -0.195 0.000 0.953 185 K CB 0.983 33.334 32.500 -0.248 0.000 0.956 185 K HN 0.109 7.957 8.250 -0.515 0.093 0.477 186 E N 5.228 125.371 120.200 -0.096 0.000 2.038 186 E HA -0.264 4.051 4.350 -0.059 0.000 0.195 186 E C 0.890 177.444 176.600 -0.077 0.000 1.000 186 E CA 2.669 59.027 56.400 -0.069 0.000 0.803 186 E CB 0.208 29.881 29.700 -0.046 0.000 0.750 186 E HN 0.518 8.829 8.360 -0.080 0.000 0.448 187 K N -1.412 118.938 120.400 -0.083 0.000 2.469 187 K HA 0.073 4.357 4.320 -0.060 0.000 0.201 187 K C -2.064 174.473 176.600 -0.104 0.000 1.028 187 K CA -1.048 55.194 56.287 -0.074 0.000 1.170 187 K CB -0.078 32.389 32.500 -0.055 0.000 0.874 187 K HN -0.160 8.040 8.250 -0.083 0.000 0.507 188 G N -1.746 106.954 108.800 -0.167 0.000 2.576 188 G HA2 -0.151 3.634 3.960 -0.292 0.000 0.686 188 G HA3 -0.151 3.710 3.960 -0.166 0.000 0.686 188 G C -1.658 173.029 174.900 -0.354 0.000 1.242 188 G CA -0.467 44.487 45.100 -0.243 0.000 0.819 188 G HN -0.729 7.248 8.290 -0.175 0.209 0.655 189 G N -0.214 108.233 108.800 -0.589 0.000 2.603 189 G HA2 -0.230 3.746 3.960 -0.332 0.000 0.686 189 G HA3 -0.230 3.546 3.960 -0.307 0.000 0.686 189 G C -2.362 171.961 174.900 -0.962 0.000 1.286 189 G CA -0.420 44.356 45.100 -0.540 0.000 0.871 189 G HN -0.332 7.549 8.290 -0.681 0.000 0.568 190 Y N -3.030 117.229 120.300 -0.069 0.000 2.597 190 Y HA 0.593 5.311 4.550 -0.033 -0.187 0.340 190 Y C -1.717 174.160 175.900 -0.039 0.000 1.097 190 Y CA -1.194 56.878 58.100 -0.048 0.000 1.037 190 Y CB 4.865 43.296 38.460 -0.048 0.000 1.305 190 Y HN 0.407 8.557 8.280 -0.044 0.104 0.463 191 E N 1.365 121.652 120.200 0.145 0.000 2.182 191 E HA 0.523 5.035 4.350 0.074 -0.118 0.258 191 E C -1.795 174.857 176.600 0.087 0.000 0.879 191 E CA -1.017 55.434 56.400 0.085 0.000 0.754 191 E CB 3.082 32.811 29.700 0.049 0.000 1.162 191 E HN 0.162 8.631 8.360 0.181 0.000 0.419 192 I N 7.127 127.741 120.570 0.074 0.000 2.339 192 I HA 0.438 4.783 4.170 0.048 -0.146 0.290 192 I C -1.026 175.116 176.117 0.042 0.000 0.994 192 I CA -1.290 60.041 61.300 0.052 0.000 1.191 192 I CB 2.487 40.513 38.000 0.043 0.000 1.343 192 I HN 1.025 9.174 8.210 0.076 0.106 0.458 193 T N 10.143 124.717 114.554 0.032 0.000 2.744 193 T HA 0.419 4.936 4.350 0.028 -0.150 0.291 193 T C -0.649 174.063 174.700 0.021 0.000 0.957 193 T CA 0.203 62.319 62.100 0.026 0.000 1.002 193 T CB 0.342 69.223 68.868 0.023 0.000 0.919 193 T HN 0.751 9.010 8.240 0.031 0.000 0.468 194 I N 8.109 128.691 120.570 0.021 0.000 2.378 194 I HA 0.181 4.491 4.170 0.015 -0.132 0.291 194 I C -1.584 174.542 176.117 0.014 0.000 0.992 194 I CA -0.764 60.547 61.300 0.017 0.000 1.154 194 I CB 2.478 40.490 38.000 0.019 0.000 1.315 194 I HN 1.023 9.247 8.210 0.023 0.000 0.448 195 V N 8.371 128.292 119.914 0.011 0.000 2.304 195 V HA 0.047 4.173 4.120 0.010 0.000 0.262 195 V C -1.224 174.875 176.094 0.008 0.000 1.061 195 V CA -0.405 61.901 62.300 0.009 0.000 0.872 195 V CB -0.398 31.430 31.823 0.008 0.000 1.077 195 V HN 0.721 8.918 8.190 0.010 0.000 0.480 196 D N 8.699 129.104 120.400 0.008 0.000 2.498 196 D HA -0.032 4.734 4.640 0.006 -0.122 0.229 196 D C 0.233 176.536 176.300 0.005 0.000 1.188 196 D CA -0.362 53.642 54.000 0.007 0.000 1.028 196 D CB 0.096 40.900 40.800 0.007 0.000 1.087 196 D HN 0.343 8.719 8.370 0.009 0.000 0.510 197 A N 5.826 128.649 122.820 0.005 0.000 2.076 197 A HA -0.170 4.152 4.320 0.004 0.000 0.220 197 A C 1.069 178.655 177.584 0.003 0.000 1.160 197 A CA 2.345 54.385 52.037 0.004 0.000 0.653 197 A CB -0.298 18.704 19.000 0.004 0.000 0.801 197 A HN 0.254 8.386 8.150 0.005 0.022 0.455 198 S N -1.796 113.906 115.700 0.003 0.000 2.371 198 S HA -0.172 4.300 4.470 0.002 0.000 0.224 198 S C 1.264 175.866 174.600 0.003 0.000 1.029 198 S CA 2.449 60.650 58.200 0.003 0.000 0.978 198 S CB 0.453 63.655 63.200 0.002 0.000 0.833 198 S HN -0.022 8.327 8.310 0.004 -0.036 0.466 199 N N -1.632 117.070 118.700 0.003 0.000 2.230 199 N HA 0.139 4.881 4.740 0.003 0.000 0.202 199 N C -1.229 174.283 175.510 0.004 0.000 1.119 199 N CA -0.018 53.034 53.050 0.003 0.000 0.851 199 N CB 1.000 39.489 38.487 0.003 0.000 0.990 199 N HN -0.734 7.851 8.380 0.004 -0.203 0.497 200 E N -2.859 117.343 120.200 0.004 0.000 2.297 200 E HA -0.420 3.933 4.350 0.004 0.000 0.228 200 E C -1.812 174.791 176.600 0.005 0.000 1.213 200 E CA 1.277 57.680 56.400 0.004 0.000 0.712 200 E CB -1.606 28.096 29.700 0.003 0.000 1.202 200 E HN -0.204 7.971 8.360 0.004 0.187 0.376 201 R N -1.765 118.738 120.500 0.006 0.000 2.744 201 R HA 0.337 4.681 4.340 0.006 0.000 0.279 201 R C -2.357 173.948 176.300 0.008 0.000 0.977 201 R CA -1.235 54.869 56.100 0.007 0.000 0.906 201 R CB 3.469 33.773 30.300 0.006 0.000 1.197 201 R HN -0.604 7.669 8.270 0.006 0.001 0.463 202 Q N 4.100 123.905 119.800 0.009 0.000 2.316 202 Q HA 0.814 5.362 4.340 0.012 -0.202 0.264 202 Q C -1.066 174.942 176.000 0.014 0.000 0.987 202 Q CA -1.349 54.461 55.803 0.011 0.000 0.852 202 Q CB 2.726 31.471 28.738 0.011 0.000 1.287 202 Q HN 0.245 8.521 8.270 0.009 0.000 0.448 203 V N 0.964 120.888 119.914 0.017 0.000 2.823 203 V HA 0.501 4.633 4.120 0.019 0.000 0.312 203 V C -1.918 174.192 176.094 0.027 0.000 1.072 203 V CA -2.826 59.486 62.300 0.021 0.000 0.937 203 V CB 3.182 35.018 31.823 0.021 0.000 1.013 203 V HN 0.811 9.011 8.190 0.017 0.000 0.430 204 I N 3.828 124.417 120.570 0.031 0.000 2.354 204 I HA 0.464 4.849 4.170 0.038 -0.192 0.286 204 I C -0.979 175.170 176.117 0.053 0.000 1.007 204 I CA -1.032 60.291 61.300 0.039 0.000 1.167 204 I CB 1.497 39.517 38.000 0.034 0.000 1.320 204 I HN 0.290 8.518 8.210 0.029 0.000 0.458 205 D N 9.034 129.473 120.400 0.064 0.000 2.280 205 D HA 0.252 4.954 4.640 0.103 0.000 0.243 205 D C -1.229 175.135 176.300 0.106 0.000 1.129 205 D CA 0.235 54.293 54.000 0.097 0.000 0.848 205 D CB 2.125 42.987 40.800 0.103 0.000 1.107 205 D HN 0.631 8.940 8.370 0.057 0.096 0.471 206 I N 3.878 124.524 120.570 0.128 0.000 2.331 206 I HA 0.327 4.691 4.170 0.063 -0.156 0.292 206 I C -0.145 175.984 176.117 0.020 0.000 0.998 206 I CA -0.459 60.892 61.300 0.085 0.000 1.267 206 I CB 1.260 39.307 38.000 0.078 0.000 1.386 206 I HN 0.349 8.651 8.210 0.153 0.000 0.476 207 I N 8.276 128.798 120.570 -0.080 0.000 2.404 207 I HA 0.522 4.117 4.170 -0.958 0.000 0.293 207 I C -2.275 173.687 176.117 -0.260 0.000 0.992 207 I CA -2.955 58.128 61.300 -0.362 0.000 1.149 207 I CB 2.980 40.911 38.000 -0.115 0.000 1.315 207 I HN 0.871 8.977 8.210 0.012 0.111 0.446 208 P HA 0.199 4.541 4.420 -0.130 0.000 0.276 208 P C -1.406 175.832 177.300 -0.103 0.000 1.261 208 P CA -0.758 62.229 63.100 -0.189 0.000 0.800 208 P CB 0.887 32.502 31.700 -0.143 0.000 1.066 209 R N -1.839 118.618 120.500 -0.071 0.000 2.539 209 R HA -0.098 4.209 4.340 -0.055 0.000 0.275 209 R C 1.167 177.468 176.300 0.002 0.000 1.077 209 R CA 0.846 56.918 56.100 -0.046 0.000 1.097 209 R CB -0.007 30.258 30.300 -0.059 0.000 1.018 209 R HN 0.102 8.334 8.270 -0.063 0.000 0.483 210 G N -0.064 108.753 108.800 0.028 0.000 2.195 210 G HA2 -0.271 3.714 3.960 0.041 0.000 0.224 210 G HA3 -0.271 3.712 3.960 0.038 0.000 0.224 210 G C -1.168 173.765 174.900 0.054 0.000 0.990 210 G CA -0.144 44.980 45.100 0.041 0.000 0.639 210 G HN 0.373 8.684 8.290 0.035 0.000 0.514 211 L N 1.352 122.615 121.223 0.067 0.000 2.329 211 L HA 0.264 4.635 4.340 0.052 0.000 0.279 211 L C -1.411 175.511 176.870 0.086 0.000 1.014 211 L CA -1.155 53.722 54.840 0.061 0.000 0.814 211 L CB 1.899 43.971 42.059 0.023 0.000 1.257 211 L HN -0.742 7.443 8.230 0.071 0.088 0.424 212 E N 1.165 121.383 120.200 0.030 0.000 2.151 212 E HA 0.276 4.604 4.350 -0.038 0.000 0.275 212 E C -1.091 175.457 176.600 -0.088 0.000 0.936 212 E CA -1.607 54.777 56.400 -0.027 0.000 0.777 212 E CB 1.296 30.992 29.700 -0.005 0.000 1.108 212 E HN 0.124 8.500 8.360 0.027 0.000 0.401 213 L N 1.040 122.139 121.223 -0.205 0.000 2.399 213 L HA 0.204 4.579 4.340 -0.106 -0.099 0.266 213 L C 0.325 177.124 176.870 -0.118 0.000 1.114 213 L CA -0.330 54.405 54.840 -0.176 0.000 0.804 213 L CB 0.900 42.787 42.059 -0.286 0.000 1.146 213 L HN 0.499 8.526 8.230 -0.339 0.000 0.451 214 L N 1.100 122.279 121.223 -0.073 0.000 3.094 214 L HA 0.270 4.579 4.340 -0.053 0.000 0.254 214 L C -1.111 175.731 176.870 -0.047 0.000 1.298 214 L CA -0.352 54.458 54.840 -0.050 0.000 1.050 214 L CB -0.581 41.462 42.059 -0.025 0.000 1.420 214 L HN 0.032 8.226 8.230 -0.060 0.000 0.548 215 V N -7.044 112.829 119.914 -0.068 0.000 2.823 215 V HA 0.310 4.409 4.120 -0.035 0.000 0.312 215 V C -1.526 174.534 176.094 -0.057 0.000 1.072 215 V CA -2.904 59.366 62.300 -0.051 0.000 0.937 215 V CB 2.368 34.164 31.823 -0.045 0.000 1.013 215 V HN -0.668 7.383 8.190 -0.100 0.078 0.430 216 S N 2.992 118.670 115.700 -0.037 0.000 2.566 216 S HA 0.227 4.672 4.470 -0.041 0.000 0.298 216 S C -1.029 173.559 174.600 -0.020 0.000 1.083 216 S CA -1.305 56.876 58.200 -0.031 0.000 0.978 216 S CB 3.032 66.218 63.200 -0.023 0.000 1.073 216 S HN -0.352 8.088 8.310 -0.028 -0.147 0.491 217 E N 2.686 122.877 120.200 -0.015 0.000 2.413 217 E HA -0.435 3.912 4.350 -0.005 0.000 0.263 217 E C 0.649 177.246 176.600 -0.004 0.000 1.015 217 E CA 1.904 58.300 56.400 -0.006 0.000 0.916 217 E CB 0.042 29.742 29.700 -0.001 0.000 0.947 217 E HN 0.422 8.773 8.360 -0.016 0.000 0.440 218 G N 4.511 113.310 108.800 -0.001 0.000 2.159 218 G HA2 -0.530 3.430 3.960 0.001 0.000 0.256 218 G HA3 -0.530 3.429 3.960 -0.001 0.000 0.256 218 G C -1.001 173.898 174.900 -0.002 0.000 0.977 218 G CA -0.082 45.017 45.100 -0.001 0.000 0.652 218 G HN 0.732 8.914 8.290 -0.000 0.108 0.531 219 E N 0.409 120.607 120.200 -0.004 0.000 2.277 219 E HA 0.175 4.523 4.350 -0.004 0.000 0.274 219 E C -0.897 175.702 176.600 -0.002 0.000 1.022 219 E CA -1.568 54.829 56.400 -0.004 0.000 0.853 219 E CB 2.174 31.870 29.700 -0.008 0.000 1.086 219 E HN -0.604 7.697 8.360 -0.005 0.056 0.397 220 S N 4.368 120.068 115.700 -0.001 0.000 2.465 220 S HA 0.386 5.024 4.470 0.001 -0.167 0.279 220 S C -0.843 173.758 174.600 0.001 0.000 1.201 220 S CA 0.317 58.517 58.200 0.001 0.000 1.053 220 S CB 0.654 63.855 63.200 0.001 0.000 0.953 220 S HN 0.430 8.739 8.310 -0.002 0.000 0.488 221 I N 6.791 127.363 120.570 0.002 0.000 2.603 221 I HA 0.268 4.439 4.170 0.002 0.000 0.300 221 I C -2.510 173.609 176.117 0.004 0.000 1.017 221 I CA -1.866 59.436 61.300 0.003 0.000 1.098 221 I CB 4.351 42.355 38.000 0.006 0.000 1.279 221 I HN 1.002 9.104 8.210 0.003 0.110 0.437 222 K N 4.912 125.314 120.400 0.004 0.000 2.168 222 K HA 0.248 4.570 4.320 0.003 0.000 0.239 222 K C -1.174 175.428 176.600 0.004 0.000 0.999 222 K CA -2.001 54.288 56.287 0.003 0.000 0.900 222 K CB 1.304 33.805 32.500 0.002 0.000 1.111 222 K HN -0.225 8.293 8.250 0.004 -0.266 0.452 223 L N 1.411 122.635 121.223 0.002 0.000 2.453 223 L HA -0.378 3.964 4.340 0.004 0.000 0.272 223 L C 0.382 177.252 176.870 -0.001 0.000 1.182 223 L CA 2.150 56.991 54.840 0.001 0.000 0.858 223 L CB -0.193 41.866 42.059 -0.000 0.000 1.120 223 L HN -0.029 8.202 8.230 0.002 0.000 0.474 224 D N 0.250 120.649 120.400 -0.002 0.000 2.911 224 D HA -0.414 4.218 4.640 -0.012 0.000 0.199 224 D C -1.248 175.051 176.300 -0.001 0.000 1.041 224 D CA 2.108 56.103 54.000 -0.007 0.000 1.013 224 D CB -0.444 40.350 40.800 -0.009 0.000 1.093 224 D HN 0.554 8.924 8.370 -0.000 0.000 0.431 225 Q N -0.166 119.636 119.800 0.004 0.000 2.361 225 Q HA 0.138 4.481 4.340 0.004 0.000 0.276 225 Q C -1.985 174.023 176.000 0.013 0.000 1.022 225 Q CA -0.549 55.258 55.803 0.007 0.000 0.898 225 Q CB 1.051 29.793 28.738 0.007 0.000 1.246 225 Q HN -0.642 7.541 8.270 0.004 0.089 0.410 226 P HA 0.181 4.834 4.420 0.030 -0.215 0.271 226 P C -1.082 176.235 177.300 0.029 0.000 1.226 226 P CA 0.615 63.730 63.100 0.024 0.000 0.765 226 P CB 0.607 32.318 31.700 0.019 0.000 0.835 227 L N 2.613 123.868 121.223 0.052 0.000 2.354 227 L HA 0.055 4.405 4.340 0.017 0.000 0.212 227 L C 0.285 177.164 176.870 0.016 0.000 1.091 227 L CA 0.908 55.771 54.840 0.039 0.000 0.828 227 L CB 0.827 42.932 42.059 0.076 0.000 0.973 227 L HN 1.042 9.210 8.230 0.077 0.108 0.461 228 T N -5.170 109.409 114.554 0.042 0.000 2.838 228 T HA 0.277 4.754 4.350 -0.023 -0.141 0.292 228 T C -0.582 174.136 174.700 0.029 0.000 1.113 228 T CA -2.222 59.886 62.100 0.014 0.000 1.008 228 T CB 2.573 71.452 68.868 0.019 0.000 1.259 228 T HN -0.731 7.556 8.240 0.078 0.000 0.520 229 S N -0.542 115.170 115.700 0.020 0.000 2.624 229 S HA -0.000 4.483 4.470 0.022 0.000 0.263 229 S C -0.648 173.977 174.600 0.042 0.000 1.287 229 S CA 0.387 58.602 58.200 0.026 0.000 0.990 229 S CB 0.827 64.038 63.200 0.018 0.000 0.950 229 S HN 0.012 8.326 8.310 0.007 0.000 0.561 230 N N 0.810 119.533 118.700 0.038 0.000 2.420 230 N HA 0.117 4.891 4.740 0.056 0.000 0.249 230 N C -1.059 174.475 175.510 0.042 0.000 1.033 230 N CA -2.513 50.563 53.050 0.043 0.000 0.944 230 N CB 0.065 38.572 38.487 0.033 0.000 1.113 230 N HN 0.153 8.551 8.380 0.030 0.000 0.502 231 P HA 0.032 4.477 4.420 0.042 0.000 0.253 231 P C -1.627 175.699 177.300 0.042 0.000 1.459 231 P CA -0.510 62.618 63.100 0.045 0.000 0.908 231 P CB -0.069 31.662 31.700 0.051 0.000 1.470 232 N N 0.511 119.235 118.700 0.039 0.000 2.408 232 N HA -0.068 4.831 4.740 0.035 -0.138 0.257 232 N C 0.754 176.289 175.510 0.042 0.000 1.064 232 N CA -0.313 52.759 53.050 0.036 0.000 0.952 232 N CB 0.695 39.200 38.487 0.030 0.000 1.093 232 N HN -0.656 7.856 8.380 0.038 -0.109 0.490 233 V N 1.266 121.207 119.914 0.045 0.000 3.427 233 V HA 0.312 4.464 4.120 0.053 0.000 0.305 233 V C -1.142 174.986 176.094 0.057 0.000 1.412 233 V CA -1.573 60.759 62.300 0.053 0.000 1.086 233 V CB -0.247 31.611 31.823 0.060 0.000 0.964 233 V HN -0.011 8.204 8.190 0.041 0.000 0.439 234 G N -0.260 108.569 108.800 0.048 0.000 2.795 234 G HA2 0.306 4.288 3.960 0.037 0.000 0.267 234 G HA3 0.306 4.430 3.960 0.031 -0.146 0.267 234 G C -1.895 173.046 174.900 0.068 0.000 1.362 234 G CA -1.179 43.947 45.100 0.044 0.000 1.048 234 G HN -0.920 7.519 8.290 0.047 -0.121 0.547 235 G N -3.401 105.447 108.800 0.079 0.000 2.466 235 G HA2 0.280 4.397 3.960 0.142 0.000 0.291 235 G HA3 0.280 4.293 3.960 0.088 0.000 0.291 235 G C -3.208 171.783 174.900 0.151 0.000 1.460 235 G CA 0.476 45.644 45.100 0.115 0.000 0.791 235 G HN -0.308 8.016 8.290 0.056 0.000 0.505 236 F N 1.143 121.100 119.950 0.012 0.000 2.480 236 F HA 0.982 5.669 4.527 -0.048 -0.189 0.329 236 F C -1.120 174.682 175.800 0.003 0.000 1.091 236 F CA -2.937 55.055 58.000 -0.012 0.000 0.972 236 F CB 4.198 43.204 39.000 0.009 0.000 1.150 236 F HN 0.829 9.172 8.300 0.257 0.112 0.467 237 G N 4.308 112.563 108.800 -0.909 0.000 2.605 237 G HA2 0.501 4.253 3.960 -0.347 0.000 0.296 237 G HA3 0.501 4.373 3.960 -0.369 -0.134 0.296 237 G C -3.486 170.920 174.900 -0.823 0.000 1.304 237 G CA -1.113 43.630 45.100 -0.596 0.000 0.941 237 G HN 0.548 8.071 8.290 -1.279 0.000 0.475 238 Q N -1.395 118.177 119.800 -0.379 0.000 2.372 238 Q HA 0.877 5.217 4.340 -0.281 -0.168 0.273 238 Q C -1.630 174.311 176.000 -0.099 0.000 1.078 238 Q CA -1.949 53.722 55.803 -0.220 0.000 0.806 238 Q CB 3.450 32.148 28.738 -0.067 0.000 1.332 238 Q HN -0.039 8.087 8.270 -0.240 0.000 0.435 239 G N 0.972 109.746 108.800 -0.044 0.000 2.733 239 G HA2 0.411 4.360 3.960 -0.020 0.000 0.288 239 G HA3 0.411 4.349 3.960 -0.037 0.000 0.288 239 G C -2.945 171.965 174.900 0.018 0.000 1.373 239 G CA -1.017 44.072 45.100 -0.019 0.000 0.895 239 G HN 0.556 8.828 8.290 -0.031 0.000 0.479 240 D N -3.082 117.303 120.400 -0.024 0.000 2.753 240 D HA 0.848 5.580 4.640 -0.175 -0.197 0.224 240 D C -2.256 173.959 176.300 -0.141 0.000 1.213 240 D CA -1.369 52.570 54.000 -0.102 0.000 0.833 240 D CB 3.759 44.538 40.800 -0.034 0.000 1.607 240 D HN -0.096 8.256 8.370 -0.030 0.000 0.463 241 A N -1.625 121.058 122.820 -0.228 0.000 2.594 241 A HA 0.276 4.521 4.320 -0.125 0.000 0.291 241 A C -2.846 174.609 177.584 -0.216 0.000 1.105 241 A CA -0.616 51.317 52.037 -0.174 0.000 0.694 241 A CB 3.450 22.368 19.000 -0.137 0.000 1.291 241 A HN 0.298 8.228 8.150 -0.366 0.000 0.410 242 E N 0.178 120.283 120.200 -0.158 0.000 2.248 242 E HA 0.862 5.291 4.350 -0.180 -0.186 0.267 242 E C -1.807 174.715 176.600 -0.131 0.000 0.877 242 E CA -1.492 54.818 56.400 -0.149 0.000 0.759 242 E CB 3.443 33.075 29.700 -0.113 0.000 1.182 242 E HN 0.082 8.368 8.360 -0.124 0.000 0.418 243 I N 3.751 124.242 120.570 -0.131 0.000 2.646 243 I HA 0.297 4.391 4.170 -0.127 0.000 0.299 243 I C -2.652 173.444 176.117 -0.034 0.000 1.036 243 I CA -2.038 59.186 61.300 -0.128 0.000 1.074 243 I CB 4.722 42.574 38.000 -0.247 0.000 1.258 243 I HN 0.838 8.974 8.210 -0.123 0.000 0.430 244 V N 7.409 127.314 119.914 -0.015 0.000 2.328 244 V HA 0.180 4.468 4.120 0.067 -0.128 0.278 244 V C -1.592 174.582 176.094 0.133 0.000 1.021 244 V CA -1.123 61.209 62.300 0.053 0.000 0.838 244 V CB 0.562 32.395 31.823 0.017 0.000 0.999 244 V HN 0.040 8.199 8.190 -0.051 0.000 0.447 245 L N 8.906 130.294 121.223 0.275 0.000 2.407 245 L HA 0.150 4.776 4.340 0.285 -0.115 0.282 245 L C -1.677 175.442 176.870 0.415 0.000 1.110 245 L CA -0.036 55.021 54.840 0.361 0.000 0.863 245 L CB 0.064 42.394 42.059 0.451 0.000 1.207 245 L HN 0.162 8.587 8.230 0.326 0.000 0.454 246 Q N 7.020 126.978 119.800 0.264 0.000 2.230 246 Q HA 0.086 4.447 4.340 0.034 0.000 0.253 246 Q C -1.515 174.345 176.000 -0.234 0.000 0.919 246 Q CA -1.300 54.538 55.803 0.058 0.000 0.908 246 Q CB 3.033 31.766 28.738 -0.009 0.000 1.245 246 Q HN 0.567 8.956 8.270 0.198 0.000 0.437 247 D N 5.284 125.159 120.400 -0.875 0.000 2.389 247 D HA 0.053 3.430 4.640 -2.105 0.000 0.247 247 D C -0.480 175.532 176.300 -0.479 0.000 1.128 247 D CA -2.786 50.383 54.000 -1.384 0.000 0.884 247 D CB 1.402 41.436 40.800 -1.277 0.000 1.194 247 D HN 0.303 8.302 8.370 -0.618 0.000 0.441 248 P HA -0.018 4.352 4.420 -0.083 0.000 0.234 248 P C -1.028 176.209 177.300 -0.104 0.000 1.167 248 P CA 0.804 63.838 63.100 -0.111 0.000 0.763 248 P CB 0.226 31.908 31.700 -0.030 0.000 0.835 249 L N -2.165 118.969 121.223 -0.148 0.000 2.694 249 L HA 0.121 4.419 4.340 -0.070 0.000 0.198 249 L C 0.121 176.924 176.870 -0.112 0.000 1.903 249 L CA -1.375 53.404 54.840 -0.101 0.000 2.945 249 L CB 1.272 43.281 42.059 -0.083 0.000 2.882 249 L HN -0.449 7.809 8.230 -0.232 -0.167 0.702 250 R N 0.000 120.443 120.500 -0.095 0.000 2.786 250 R HA 0.000 4.278 4.340 -0.103 0.000 0.208 250 R CA 0.000 56.050 56.100 -0.083 0.000 0.921 250 R CB 0.000 30.265 30.300 -0.058 0.000 0.687 250 R HN 0.000 8.221 8.270 -0.082 0.000 0.535