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 2fin_1_A DATA FIRST_RESID 1 DATA SEQUENCE MPASLQQSSS SSSScTEEEN KHHMGIDVII KVTKQDQTPT NDKIcQSVTE DATA SEQUENCE ITESESDPDP EVESEDDSTS VEDVDPPTTY YSIIGGGLRM NFGFTKcPQI DATA SEQUENCE KSISESADGN TVNARLSSVS PGQGKDSPAI THEEALAMIK DcEVSIDIRc DATA SEQUENCE SEEEKDSDIK THPVLGSNIS HKKVSYEDII GSTIVDTKcV KNLEFSVRIG DATA SEQUENCE DMcKESSELE VKDGFKYVDG SASKGATDDT SLIDSTKLKA cV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.473 4.480 -0.012 0.000 0.227 1 M C 0.000 176.296 176.300 -0.007 0.000 1.140 1 M CA 0.000 55.293 55.300 -0.011 0.000 0.988 1 M CB 0.000 32.591 32.600 -0.015 0.000 1.302 2 P HA 0.020 4.437 4.420 -0.005 0.000 0.278 2 P C -0.947 176.351 177.300 -0.003 0.000 1.268 2 P CA -0.142 62.956 63.100 -0.004 0.000 0.813 2 P CB 0.460 32.158 31.700 -0.004 0.000 1.180 3 A N -1.666 121.153 122.820 -0.002 0.000 6.880 3 A HA -0.195 4.124 4.320 -0.001 0.000 0.254 3 A C -0.645 176.938 177.584 -0.001 0.000 2.140 3 A CA 0.750 52.787 52.037 -0.001 0.000 0.766 3 A CB -0.199 18.800 19.000 -0.001 0.000 0.986 3 A HN 0.047 8.196 8.150 -0.002 0.000 0.395 4 S N -2.477 113.223 115.700 -0.001 0.000 2.423 4 S HA -0.095 4.375 4.470 -0.000 0.000 0.243 4 S C -0.889 173.711 174.600 -0.000 0.000 0.939 4 S CA 0.059 58.258 58.200 -0.001 0.000 1.552 4 S CB 1.051 64.251 63.200 -0.001 0.000 1.245 4 S HN 0.074 8.384 8.310 -0.000 0.000 0.635 5 L N 4.733 125.956 121.223 -0.000 0.000 2.597 5 L HA -0.077 4.263 4.340 -0.000 0.000 0.271 5 L C -1.307 175.564 176.870 0.000 0.000 1.157 5 L CA 1.100 55.940 54.840 -0.000 0.000 0.928 5 L CB -0.339 41.720 42.059 -0.000 0.000 1.216 5 L HN -0.336 7.894 8.230 -0.000 0.000 0.481 6 Q N 3.206 123.006 119.800 0.000 0.000 2.429 6 Q HA 0.189 4.529 4.340 -0.000 0.000 0.247 6 Q C -0.606 175.394 176.000 -0.000 0.000 0.915 6 Q CA -0.140 55.664 55.803 0.000 0.000 0.971 6 Q CB 1.890 30.629 28.738 0.001 0.000 1.468 6 Q HN 0.294 8.564 8.270 -0.000 0.000 0.439 7 Q N 4.877 124.676 119.800 -0.001 0.000 2.608 7 Q HA -0.131 4.208 4.340 -0.002 0.000 0.400 7 Q C -0.644 175.356 176.000 -0.001 0.000 1.147 7 Q CA 1.416 57.217 55.803 -0.002 0.000 0.948 7 Q CB 0.484 29.220 28.738 -0.004 0.000 3.498 7 Q HN 0.530 8.799 8.270 -0.002 0.000 0.481 8 S N -4.600 111.099 115.700 -0.002 0.000 2.475 8 S HA -0.021 4.448 4.470 -0.000 0.000 0.270 8 S C 0.365 174.963 174.600 -0.004 0.000 1.026 8 S CA 0.753 58.952 58.200 -0.001 0.000 1.437 8 S CB 0.594 63.794 63.200 0.000 0.000 1.215 8 S HN 0.114 8.421 8.310 -0.004 0.000 0.648 9 S N 1.301 116.997 115.700 -0.007 0.000 2.436 9 S HA -0.165 4.300 4.470 -0.010 0.000 0.228 9 S C -0.124 174.467 174.600 -0.015 0.000 1.014 9 S CA 1.226 59.420 58.200 -0.010 0.000 0.950 9 S CB 0.017 63.211 63.200 -0.011 0.000 0.784 9 S HN 0.211 8.518 8.310 -0.006 0.000 0.504 10 S N 2.307 117.998 115.700 -0.015 0.000 2.626 10 S HA -0.115 4.340 4.470 -0.026 0.000 0.303 10 S C 0.460 175.045 174.600 -0.024 0.000 1.256 10 S CA 0.946 59.134 58.200 -0.020 0.000 1.069 10 S CB 0.522 63.713 63.200 -0.015 0.000 0.807 10 S HN -0.167 8.115 8.310 -0.011 0.022 0.500 11 S N 5.311 120.985 115.700 -0.042 0.000 2.440 11 S HA -0.309 4.277 4.470 -0.037 -0.139 0.238 11 S C 1.306 175.887 174.600 -0.032 0.000 1.010 11 S CA 2.764 60.932 58.200 -0.054 0.000 0.972 11 S CB 0.180 63.308 63.200 -0.121 0.000 0.774 11 S HN 0.391 8.670 8.310 -0.050 0.000 0.501 12 S N -0.961 114.723 115.700 -0.026 0.000 2.461 12 S HA -0.086 4.446 4.470 -0.000 -0.062 0.228 12 S C 1.160 175.764 174.600 0.005 0.000 1.005 12 S CA 1.492 59.688 58.200 -0.007 0.000 0.942 12 S CB -0.187 63.008 63.200 -0.007 0.000 0.776 12 S HN -0.017 8.228 8.310 -0.031 0.046 0.514 13 S N 2.583 118.284 115.700 0.002 0.000 2.356 13 S HA 0.070 4.545 4.470 0.009 0.000 0.219 13 S C 0.035 174.641 174.600 0.011 0.000 1.036 13 S CA 2.918 61.122 58.200 0.006 0.000 0.965 13 S CB 0.956 64.157 63.200 0.002 0.000 0.864 13 S HN 0.101 8.225 8.310 -0.006 0.182 0.471 14 S N -3.203 112.503 115.700 0.011 0.000 2.636 14 S HA 0.114 4.598 4.470 0.024 0.000 0.266 14 S C -1.727 172.886 174.600 0.020 0.000 1.147 14 S CA 0.001 58.212 58.200 0.018 0.000 0.815 14 S CB 2.708 65.916 63.200 0.014 0.000 1.119 14 S HN -0.586 7.726 8.310 0.004 0.000 0.470 15 c N 1.621 120.240 118.600 0.030 0.000 2.741 15 c HA 0.005 4.605 4.570 0.051 0.000 0.403 15 c C 0.947 175.047 174.090 0.017 0.000 1.282 15 c CA 0.246 56.597 56.329 0.038 0.000 2.053 15 c CB -0.658 41.882 42.510 0.051 0.000 2.731 15 c HN 0.445 8.694 8.230 0.031 0.000 0.680 16 T N -1.105 113.453 114.554 0.006 0.000 2.824 16 T HA 0.027 4.367 4.350 -0.017 0.000 0.277 16 T C -0.119 174.570 174.700 -0.018 0.000 0.975 16 T CA -0.470 61.618 62.100 -0.020 0.000 0.966 16 T CB 0.947 69.785 68.868 -0.050 0.000 1.054 16 T HN -0.170 8.081 8.240 0.018 0.000 0.533 17 E N -1.638 118.547 120.200 -0.026 0.000 2.583 17 E HA 0.196 4.544 4.350 -0.004 0.000 0.213 17 E C -0.812 175.771 176.600 -0.029 0.000 0.989 17 E CA -0.136 56.255 56.400 -0.016 0.000 0.991 17 E CB 0.598 30.295 29.700 -0.006 0.000 1.040 17 E HN 0.362 8.704 8.360 -0.030 0.000 0.481 18 E N 1.099 121.264 120.200 -0.058 0.000 1.865 18 E HA -0.089 4.241 4.350 -0.034 0.000 0.269 18 E C -0.363 176.181 176.600 -0.094 0.000 1.177 18 E CA -0.388 55.975 56.400 -0.062 0.000 0.932 18 E CB -0.435 29.226 29.700 -0.065 0.000 1.066 18 E HN 0.037 8.298 8.360 -0.068 0.058 0.405 19 E N 3.106 123.287 120.200 -0.032 0.000 2.170 19 E HA -0.484 3.896 4.350 0.049 0.000 0.229 19 E C 0.686 177.316 176.600 0.050 0.000 1.074 19 E CA 3.690 60.103 56.400 0.021 0.000 0.930 19 E CB -0.133 29.595 29.700 0.047 0.000 0.806 19 E HN -0.258 8.094 8.360 -0.013 0.000 0.478 20 N N -0.148 118.597 118.700 0.075 0.000 3.115 20 N HA -0.027 4.997 4.740 0.473 0.000 0.305 20 N C -1.045 174.520 175.510 0.091 0.000 1.305 20 N CA 0.260 53.443 53.050 0.222 0.000 1.154 20 N CB -1.530 37.039 38.487 0.137 0.000 1.454 20 N HN 0.143 8.546 8.380 0.038 0.000 0.551 21 K N -0.532 119.710 120.400 -0.264 0.000 2.569 21 K HA 0.333 4.688 4.320 -0.254 -0.188 0.259 21 K C -2.510 173.558 176.600 -0.886 0.000 0.932 21 K CA -0.162 55.888 56.287 -0.396 0.000 0.833 21 K CB 3.659 36.034 32.500 -0.208 0.000 1.340 21 K HN -0.114 7.767 8.250 -0.457 0.095 0.429 22 H N 0.652 119.653 119.070 -0.115 0.000 3.128 22 H HA 0.227 4.778 4.556 -0.009 0.000 0.336 22 H C -1.772 173.563 175.328 0.012 0.000 1.026 22 H CA -0.563 55.448 56.048 -0.062 0.000 1.376 22 H CB 3.191 32.876 29.762 -0.129 0.000 1.882 22 H HN 0.679 8.854 8.280 -0.175 0.000 0.479 23 H N 6.082 125.175 119.070 0.038 0.000 3.191 23 H HA -0.070 4.597 4.556 -0.008 -0.116 0.261 23 H C -0.661 174.673 175.328 0.010 0.000 1.013 23 H CA -0.242 55.811 56.048 0.009 0.000 1.457 23 H CB -0.322 29.442 29.762 0.004 0.000 1.535 23 H HN 0.252 8.670 8.280 0.230 0.000 0.518 24 M N 6.599 126.226 119.600 0.044 0.000 2.211 24 M HA -0.105 4.292 4.480 -0.139 0.000 0.356 24 M C -0.723 175.382 176.300 -0.325 0.000 1.216 24 M CA -1.178 54.047 55.300 -0.125 0.000 1.134 24 M CB 0.837 33.425 32.600 -0.020 0.000 1.564 24 M HN -0.242 8.208 8.290 0.266 0.000 0.463 25 G N 1.102 109.724 108.800 -0.298 0.000 2.574 25 G HA2 0.369 4.177 3.960 -0.254 0.000 0.299 25 G HA3 0.369 4.134 3.960 -0.325 0.000 0.299 25 G C -3.096 171.718 174.900 -0.144 0.000 1.298 25 G CA -1.816 43.121 45.100 -0.272 0.000 0.952 25 G HN -0.116 8.044 8.290 -0.216 0.000 0.477 26 I N -0.366 120.128 120.570 -0.127 0.000 2.648 26 I HA 0.262 4.399 4.170 -0.055 0.000 0.304 26 I C -2.224 173.852 176.117 -0.069 0.000 1.009 26 I CA -2.274 58.975 61.300 -0.085 0.000 1.114 26 I CB 3.730 41.665 38.000 -0.109 0.000 1.293 26 I HN 0.141 8.263 8.210 -0.147 0.000 0.449 27 D N 7.992 128.373 120.400 -0.031 0.000 2.452 27 D HA 0.343 5.124 4.640 -0.068 -0.181 0.226 27 D C -1.887 174.385 176.300 -0.046 0.000 1.366 27 D CA -0.146 53.830 54.000 -0.041 0.000 0.986 27 D CB 2.174 42.977 40.800 0.003 0.000 1.420 27 D HN -0.130 8.235 8.370 -0.008 0.000 0.583 28 V N 4.659 124.553 119.914 -0.034 0.000 2.612 28 V HA 0.911 5.236 4.120 0.029 -0.188 0.301 28 V C -2.462 173.602 176.094 -0.049 0.000 1.046 28 V CA -2.942 59.370 62.300 0.021 0.000 0.946 28 V CB 2.738 34.677 31.823 0.194 0.000 1.003 28 V HN 0.660 8.813 8.190 -0.062 0.000 0.459 29 I N 5.286 125.838 120.570 -0.030 0.000 2.603 29 I HA 0.392 4.516 4.170 -0.075 0.000 0.300 29 I C -1.101 175.033 176.117 0.029 0.000 1.017 29 I CA -1.290 59.978 61.300 -0.053 0.000 1.098 29 I CB 2.808 40.735 38.000 -0.121 0.000 1.279 29 I HN 0.664 8.787 8.210 0.023 0.101 0.437 30 I N 3.066 123.638 120.570 0.004 0.000 2.560 30 I HA 0.382 4.730 4.170 -0.008 -0.183 0.283 30 I C -2.073 174.021 176.117 -0.038 0.000 1.115 30 I CA -0.736 60.566 61.300 0.004 0.000 1.066 30 I CB 2.442 40.477 38.000 0.059 0.000 1.221 30 I HN 0.077 8.275 8.210 -0.020 0.000 0.450 31 K N 8.487 128.837 120.400 -0.084 0.000 2.354 31 K HA 0.448 4.894 4.320 -0.043 -0.152 0.257 31 K C -1.065 175.484 176.600 -0.085 0.000 1.062 31 K CA -1.334 54.911 56.287 -0.070 0.000 0.971 31 K CB 1.159 33.621 32.500 -0.064 0.000 1.305 31 K HN -0.179 7.992 8.250 -0.132 0.000 0.449 32 V N 8.974 128.859 119.914 -0.049 0.000 2.465 32 V HA 0.289 4.491 4.120 -0.052 -0.112 0.279 32 V C -0.644 175.442 176.094 -0.013 0.000 1.045 32 V CA -0.234 62.046 62.300 -0.033 0.000 0.938 32 V CB 0.922 32.740 31.823 -0.008 0.000 0.986 32 V HN 0.414 8.584 8.190 -0.033 0.000 0.467 33 T N 9.972 124.526 114.554 0.000 0.000 2.770 33 T HA 0.332 4.684 4.350 0.003 0.000 0.283 33 T C -0.988 173.726 174.700 0.023 0.000 0.988 33 T CA -0.674 61.432 62.100 0.009 0.000 0.957 33 T CB 0.823 69.696 68.868 0.009 0.000 0.930 33 T HN 0.893 9.136 8.240 0.006 0.000 0.443 34 K N 6.027 126.438 120.400 0.018 0.000 2.202 34 K HA -0.067 4.269 4.320 0.027 0.000 0.264 34 K C -0.563 176.050 176.600 0.023 0.000 1.010 34 K CA 0.011 56.311 56.287 0.022 0.000 0.940 34 K CB 0.818 33.328 32.500 0.016 0.000 0.983 34 K HN 0.485 8.743 8.250 0.012 0.000 0.475 35 Q N 1.326 121.143 119.800 0.027 0.000 2.299 35 Q HA -0.067 4.287 4.340 0.024 0.000 0.246 35 Q C 0.177 176.187 176.000 0.017 0.000 0.935 35 Q CA -0.415 55.403 55.803 0.025 0.000 0.887 35 Q CB 1.513 30.269 28.738 0.030 0.000 1.223 35 Q HN 0.324 8.612 8.270 0.029 0.000 0.439 36 D N 5.364 125.772 120.400 0.013 0.000 2.662 36 D HA -0.083 4.563 4.640 0.009 0.000 0.228 36 D C -0.555 175.751 176.300 0.010 0.000 1.093 36 D CA 1.556 55.562 54.000 0.010 0.000 1.075 36 D CB -1.628 39.176 40.800 0.007 0.000 1.122 36 D HN 0.369 8.747 8.370 0.013 0.000 0.475 37 Q N -0.393 119.414 119.800 0.012 0.000 1.466 37 Q HA 0.018 4.364 4.340 0.010 0.000 0.156 37 Q C -0.580 175.428 176.000 0.012 0.000 0.637 37 Q CA 0.358 56.167 55.803 0.012 0.000 0.669 37 Q CB 2.129 30.874 28.738 0.013 0.000 1.155 37 Q HN 0.139 8.354 8.270 0.013 0.063 0.356 38 T N 6.751 121.313 114.554 0.014 0.000 2.779 38 T HA 0.154 4.512 4.350 0.014 0.000 0.296 38 T C -1.785 172.922 174.700 0.012 0.000 0.938 38 T CA 0.086 62.195 62.100 0.014 0.000 1.119 38 T CB -0.141 68.737 68.868 0.017 0.000 0.891 38 T HN -0.568 7.681 8.240 0.015 0.000 0.526 39 P HA -0.159 4.266 4.420 0.009 0.000 0.271 39 P C -1.099 176.206 177.300 0.010 0.000 1.197 39 P CA 0.073 63.179 63.100 0.010 0.000 0.777 39 P CB 0.655 32.361 31.700 0.010 0.000 0.827 40 T N 0.115 114.674 114.554 0.008 0.000 2.918 40 T HA -0.151 4.204 4.350 0.008 0.000 0.302 40 T C -0.802 173.903 174.700 0.008 0.000 1.045 40 T CA 0.719 62.824 62.100 0.008 0.000 1.114 40 T CB 0.357 69.229 68.868 0.007 0.000 0.965 40 T HN 0.019 8.264 8.240 0.008 0.000 0.540 41 N N 6.098 124.803 118.700 0.008 0.000 3.193 41 N HA 0.157 4.902 4.740 0.008 0.000 0.234 41 N C -1.405 174.110 175.510 0.008 0.000 1.267 41 N CA -0.051 53.005 53.050 0.009 0.000 0.875 41 N CB 1.652 40.146 38.487 0.011 0.000 1.592 41 N HN 0.191 8.576 8.380 0.008 0.000 0.648 42 D N -0.111 120.293 120.400 0.007 0.000 2.559 42 D HA 0.122 4.765 4.640 0.006 0.000 0.234 42 D C 0.135 176.438 176.300 0.005 0.000 1.226 42 D CA -1.253 52.750 54.000 0.006 0.000 0.830 42 D CB 0.000 40.803 40.800 0.005 0.000 1.028 42 D HN 0.245 8.619 8.370 0.007 0.000 0.492 43 K N 0.882 121.286 120.400 0.007 0.000 3.192 43 K HA 0.052 4.375 4.320 0.005 0.000 0.269 43 K C -0.530 176.074 176.600 0.006 0.000 1.270 43 K CA -1.027 55.264 56.287 0.006 0.000 1.249 43 K CB -2.024 30.480 32.500 0.007 0.000 1.528 43 K HN -0.165 8.011 8.250 0.008 0.079 0.360 44 I N -3.015 117.558 120.570 0.005 0.000 3.543 44 I HA -0.203 4.053 4.170 0.006 -0.083 0.262 44 I C 0.373 176.491 176.117 0.001 0.000 1.301 44 I CA -0.033 61.269 61.300 0.003 0.000 1.242 44 I CB 0.141 38.141 38.000 -0.001 0.000 1.402 44 I HN -0.438 7.690 8.210 0.004 0.085 0.671 45 c N -1.252 117.347 118.600 -0.003 0.000 4.356 45 c HA -0.251 4.312 4.570 -0.011 0.000 0.296 45 c C 1.588 175.678 174.090 -0.000 0.000 1.424 45 c CA 0.878 57.203 56.329 -0.007 0.000 2.000 45 c CB -2.482 40.022 42.510 -0.010 0.000 1.262 45 c HN 0.527 8.755 8.230 -0.003 0.000 0.789 46 Q N 0.947 120.750 119.800 0.006 0.000 2.096 46 Q HA -0.242 4.102 4.340 0.008 0.000 0.204 46 Q C 0.333 176.338 176.000 0.009 0.000 0.982 46 Q CA 2.127 57.936 55.803 0.009 0.000 0.850 46 Q CB 0.622 29.369 28.738 0.015 0.000 0.901 46 Q HN -0.040 8.218 8.270 0.008 0.016 0.422 47 S N -6.200 109.506 115.700 0.010 0.000 2.688 47 S HA -0.017 4.455 4.470 0.003 0.000 0.269 47 S C -2.785 171.821 174.600 0.010 0.000 1.060 47 S CA 0.098 58.304 58.200 0.009 0.000 0.844 47 S CB 0.852 64.060 63.200 0.013 0.000 1.095 47 S HN -0.646 7.670 8.310 0.011 0.000 0.466 48 V N 1.566 121.484 119.914 0.007 0.000 2.817 48 V HA 0.289 4.610 4.120 0.022 -0.188 0.303 48 V C -1.631 174.469 176.094 0.010 0.000 1.151 48 V CA -1.216 61.090 62.300 0.011 0.000 0.929 48 V CB 3.659 35.477 31.823 -0.007 0.000 1.030 48 V HN 0.231 8.424 8.190 0.004 0.000 0.427 49 T N 10.354 124.904 114.554 -0.007 0.000 2.864 49 T HA 0.345 4.685 4.350 -0.016 0.000 0.299 49 T C -1.358 173.273 174.700 -0.115 0.000 1.011 49 T CA -0.598 61.475 62.100 -0.046 0.000 0.975 49 T CB 1.281 70.112 68.868 -0.062 0.000 0.962 49 T HN -0.039 8.193 8.240 -0.013 0.000 0.448 50 E N 6.872 127.057 120.200 -0.025 0.000 2.331 50 E HA 0.380 4.735 4.350 -0.238 -0.148 0.272 50 E C -1.198 175.272 176.600 -0.217 0.000 1.036 50 E CA -0.762 55.585 56.400 -0.088 0.000 0.864 50 E CB 0.892 30.687 29.700 0.159 0.000 1.035 50 E HN 0.323 8.695 8.360 0.021 0.000 0.408 51 I N 2.169 122.517 120.570 -0.370 0.000 2.894 51 I HA 0.360 4.445 4.170 -0.141 0.000 0.302 51 I C -1.715 174.272 176.117 -0.218 0.000 1.188 51 I CA -0.915 60.249 61.300 -0.226 0.000 1.014 51 I CB 4.336 42.237 38.000 -0.164 0.000 1.242 51 I HN 0.272 8.122 8.210 -0.599 0.000 0.430 52 T N 0.845 115.323 114.554 -0.126 0.000 3.335 52 T HA 0.469 4.926 4.350 -0.167 -0.208 0.321 52 T C -0.261 174.394 174.700 -0.074 0.000 0.960 52 T CA -1.890 60.136 62.100 -0.123 0.000 1.034 52 T CB 1.751 70.557 68.868 -0.102 0.000 1.040 52 T HN -0.022 8.165 8.240 -0.088 0.000 0.454 53 E N 7.876 128.034 120.200 -0.071 0.000 2.406 53 E HA -0.087 4.242 4.350 -0.036 0.000 0.258 53 E C 0.521 177.095 176.600 -0.042 0.000 1.043 53 E CA 0.849 57.220 56.400 -0.048 0.000 0.929 53 E CB -0.801 28.869 29.700 -0.050 0.000 0.969 53 E HN -0.153 8.153 8.360 -0.090 0.000 0.462 54 S N 2.830 118.511 115.700 -0.030 0.000 1.703 54 S HA -0.497 3.962 4.470 -0.018 0.000 0.232 54 S C 1.225 175.813 174.600 -0.020 0.000 0.865 54 S CA 3.856 62.042 58.200 -0.023 0.000 1.462 54 S CB -1.899 61.287 63.200 -0.022 0.000 1.879 54 S HN 0.575 8.868 8.310 -0.027 0.000 0.532 55 E N 2.708 122.892 120.200 -0.027 0.000 2.160 55 E HA -0.341 4.099 4.350 -0.010 -0.096 0.195 55 E C 0.460 177.051 176.600 -0.014 0.000 0.991 55 E CA 1.832 58.221 56.400 -0.019 0.000 0.810 55 E CB 0.207 29.891 29.700 -0.026 0.000 0.742 55 E HN 0.027 8.239 8.360 -0.037 0.126 0.466 56 S N -1.972 113.715 115.700 -0.022 0.000 4.155 56 S HA -0.382 4.074 4.470 -0.024 0.000 0.538 56 S C 0.286 174.882 174.600 -0.007 0.000 1.583 56 S CA 3.092 61.282 58.200 -0.017 0.000 3.950 56 S CB -0.424 62.769 63.200 -0.011 0.000 1.452 56 S HN -0.272 7.999 8.310 -0.031 0.020 0.461 57 D N -3.055 117.345 120.400 -0.000 0.000 1.791 57 D HA 0.199 4.847 4.640 0.013 0.000 0.548 57 D C -1.524 174.781 176.300 0.008 0.000 0.912 57 D CA 1.004 55.009 54.000 0.008 0.000 1.042 57 D CB -0.603 40.202 40.800 0.009 0.000 1.657 57 D HN 0.286 8.655 8.370 -0.002 0.000 0.524 58 P HA 0.234 4.658 4.420 0.006 0.000 0.196 58 P C -1.537 175.766 177.300 0.005 0.000 1.166 58 P CA 1.360 64.463 63.100 0.005 0.000 0.854 58 P CB 0.002 31.704 31.700 0.003 0.000 0.701 59 D N -5.974 114.427 120.400 0.003 0.000 4.239 59 D HA 0.098 4.740 4.640 0.003 0.000 0.242 59 D C -1.485 174.815 176.300 0.001 0.000 1.453 59 D CA -0.780 53.221 54.000 0.002 0.000 0.841 59 D CB -1.258 39.544 40.800 0.004 0.000 1.362 59 D HN -0.254 8.117 8.370 0.001 0.000 0.855 60 P HA 0.017 4.436 4.420 -0.002 0.000 0.210 60 P C -0.259 177.038 177.300 -0.004 0.000 1.130 60 P CA 0.229 63.327 63.100 -0.002 0.000 0.905 60 P CB 1.216 32.914 31.700 -0.003 0.000 0.774 61 E N -1.549 118.648 120.200 -0.006 0.000 2.260 61 E HA -0.370 4.044 4.350 -0.010 -0.070 0.204 61 E C -0.481 176.114 176.600 -0.008 0.000 1.319 61 E CA 0.433 56.828 56.400 -0.008 0.000 0.679 61 E CB -1.653 28.044 29.700 -0.006 0.000 1.158 61 E HN -0.080 8.277 8.360 -0.006 0.000 0.376 62 V N -4.827 115.081 119.914 -0.009 0.000 0.497 62 V HA -0.529 3.585 4.120 -0.009 0.000 0.072 62 V C -0.999 175.091 176.094 -0.007 0.000 2.746 62 V CA 1.557 63.851 62.300 -0.009 0.000 3.772 62 V CB -0.257 31.560 31.823 -0.010 0.000 1.136 62 V HN 0.295 8.480 8.190 -0.009 0.000 1.139 63 E N -1.314 118.883 120.200 -0.006 0.000 2.260 63 E HA -0.366 4.055 4.350 -0.004 -0.072 0.204 63 E C -0.430 176.168 176.600 -0.004 0.000 1.319 63 E CA 0.250 56.648 56.400 -0.004 0.000 0.679 63 E CB -1.134 28.564 29.700 -0.004 0.000 1.158 63 E HN -0.601 7.515 8.360 -0.006 0.241 0.376 64 S N 2.220 117.917 115.700 -0.004 0.000 3.869 64 S HA 0.081 4.548 4.470 -0.005 0.000 0.241 64 S C 0.215 174.813 174.600 -0.003 0.000 1.363 64 S CA -0.005 58.192 58.200 -0.004 0.000 0.894 64 S CB -0.712 62.485 63.200 -0.005 0.000 1.519 64 S HN 0.293 8.601 8.310 -0.004 0.000 0.470 65 E N 7.481 127.679 120.200 -0.003 0.000 2.676 65 E HA 0.032 4.380 4.350 -0.002 0.000 0.318 65 E C -1.396 175.202 176.600 -0.002 0.000 1.514 65 E CA -0.175 56.223 56.400 -0.002 0.000 1.667 65 E CB -1.830 27.869 29.700 -0.002 0.000 1.336 65 E HN -0.160 8.162 8.360 -0.003 0.036 0.492 66 D N -0.407 119.992 120.400 -0.003 0.000 2.362 66 D HA 0.053 4.691 4.640 -0.002 0.000 0.228 66 D C -1.037 175.261 176.300 -0.003 0.000 1.326 66 D CA -0.642 53.356 54.000 -0.003 0.000 0.927 66 D CB -0.061 40.738 40.800 -0.003 0.000 1.501 66 D HN -0.312 7.966 8.370 -0.003 0.090 0.519 67 D N 1.317 121.716 120.400 -0.002 0.000 2.377 67 D HA 0.132 4.771 4.640 -0.003 0.000 0.245 67 D C 0.191 176.490 176.300 -0.002 0.000 1.196 67 D CA 0.663 54.662 54.000 -0.002 0.000 0.962 67 D CB 0.811 41.610 40.800 -0.002 0.000 1.127 67 D HN 0.194 8.562 8.370 -0.002 0.000 0.471 68 S N -1.779 113.919 115.700 -0.002 0.000 3.294 68 S HA -0.047 4.422 4.470 -0.002 0.000 0.195 68 S C 0.132 174.731 174.600 -0.002 0.000 0.943 68 S CA 0.971 59.170 58.200 -0.002 0.000 1.266 68 S CB 0.540 63.738 63.200 -0.003 0.000 1.152 68 S HN 0.522 8.831 8.310 -0.002 0.000 0.386 69 T N 0.147 114.700 114.554 -0.003 0.000 3.523 69 T HA -0.026 4.323 4.350 -0.002 0.000 0.288 69 T C -0.577 174.121 174.700 -0.003 0.000 0.849 69 T CA 0.615 62.714 62.100 -0.003 0.000 0.961 69 T CB 0.325 69.191 68.868 -0.003 0.000 1.179 69 T HN -0.605 7.634 8.240 -0.003 0.000 0.598 70 S N 4.521 120.219 115.700 -0.004 0.000 2.573 70 S HA -0.140 4.328 4.470 -0.005 0.000 0.297 70 S C 0.130 174.728 174.600 -0.004 0.000 1.280 70 S CA 1.846 60.043 58.200 -0.004 0.000 1.061 70 S CB 0.268 63.465 63.200 -0.005 0.000 0.812 70 S HN -0.150 8.157 8.310 -0.004 0.000 0.500 71 V N -3.882 116.030 119.914 -0.004 0.000 3.808 71 V HA 0.236 4.355 4.120 -0.003 0.000 0.561 71 V C -0.241 175.851 176.094 -0.003 0.000 1.783 71 V CA 0.068 62.367 62.300 -0.003 0.000 2.262 71 V CB 0.087 31.909 31.823 -0.001 0.000 1.153 71 V HN -0.282 7.905 8.190 -0.004 0.000 0.614 72 E N -0.020 120.177 120.200 -0.005 0.000 2.160 72 E HA -0.341 4.005 4.350 -0.005 0.000 0.195 72 E C 1.240 177.837 176.600 -0.006 0.000 0.991 72 E CA 1.304 57.701 56.400 -0.006 0.000 0.810 72 E CB -0.509 29.185 29.700 -0.009 0.000 0.742 72 E HN 0.251 8.608 8.360 -0.006 0.000 0.466 73 D N 0.122 120.519 120.400 -0.005 0.000 2.498 73 D HA -0.305 4.331 4.640 -0.007 0.000 0.250 73 D C 1.856 178.156 176.300 -0.001 0.000 1.304 73 D CA 2.708 56.706 54.000 -0.004 0.000 1.093 73 D CB -0.351 40.448 40.800 -0.003 0.000 1.746 73 D HN -0.050 8.300 8.370 -0.006 0.017 0.594 74 V N -3.139 116.776 119.914 0.002 0.000 0.657 74 V HA -0.486 3.637 4.120 0.007 0.000 0.092 74 V C -0.057 176.042 176.094 0.009 0.000 1.242 74 V CA 2.457 64.761 62.300 0.006 0.000 3.205 74 V CB -0.947 30.879 31.823 0.005 0.000 0.430 74 V HN -0.000 8.191 8.190 0.002 0.000 0.421 75 D N 2.462 122.867 120.400 0.008 0.000 2.341 75 D HA 0.187 4.839 4.640 0.020 0.000 0.245 75 D C -1.584 174.723 176.300 0.011 0.000 1.106 75 D CA -0.751 53.257 54.000 0.014 0.000 0.905 75 D CB 0.202 41.010 40.800 0.013 0.000 1.202 75 D HN -0.095 8.259 8.370 0.005 0.019 0.426 76 P HA 0.218 4.644 4.420 0.010 0.000 0.271 76 P C -1.677 175.620 177.300 -0.005 0.000 1.218 76 P CA -1.252 61.857 63.100 0.015 0.000 0.780 76 P CB -0.644 31.080 31.700 0.039 0.000 0.901 77 P HA -0.020 4.373 4.420 -0.046 0.000 0.323 77 P C -0.955 176.289 177.300 -0.094 0.000 1.374 77 P CA 0.132 63.200 63.100 -0.053 0.000 0.798 77 P CB 0.839 32.505 31.700 -0.056 0.000 1.763 78 T N -6.450 108.016 114.554 -0.145 0.000 2.906 78 T HA 0.375 4.652 4.350 -0.313 -0.114 0.295 78 T C -1.102 173.389 174.700 -0.348 0.000 1.061 78 T CA -2.069 59.878 62.100 -0.254 0.000 1.000 78 T CB 3.241 71.996 68.868 -0.189 0.000 1.103 78 T HN -0.056 8.230 8.240 -0.120 -0.118 0.486 79 T N 4.960 119.120 114.554 -0.657 0.000 2.812 79 T HA 0.801 5.075 4.350 -0.434 -0.184 0.282 79 T C -2.043 172.311 174.700 -0.575 0.000 0.990 79 T CA -0.246 61.454 62.100 -0.667 0.000 0.960 79 T CB 2.322 70.694 68.868 -0.827 0.000 0.948 79 T HN 0.350 8.025 8.240 -0.941 0.000 0.438 80 Y N 7.584 127.529 120.300 -0.591 0.000 2.536 80 Y HA 0.327 4.760 4.550 -0.195 0.000 0.347 80 Y C -3.427 172.109 175.900 -0.606 0.000 1.000 80 Y CA -1.868 55.991 58.100 -0.402 0.000 1.051 80 Y CB 3.320 41.672 38.460 -0.180 0.000 1.259 80 Y HN 0.148 8.181 8.280 -0.412 0.000 0.468 81 Y N 0.605 120.810 120.300 -0.158 0.000 2.425 81 Y HA 0.390 4.784 4.550 -0.569 -0.186 0.344 81 Y C -0.434 175.347 175.900 -0.198 0.000 0.969 81 Y CA -2.218 55.674 58.100 -0.348 0.000 1.052 81 Y CB 3.767 42.190 38.460 -0.062 0.000 1.215 81 Y HN 0.071 8.654 8.280 0.504 0.000 0.451 82 S N 2.627 118.253 115.700 -0.124 0.000 2.912 82 S HA 0.245 4.948 4.470 0.388 0.000 0.184 82 S C -0.008 174.662 174.600 0.117 0.000 1.390 82 S CA -1.545 56.745 58.200 0.150 0.000 1.088 82 S CB -0.968 62.307 63.200 0.125 0.000 1.284 82 S HN 0.065 8.236 8.310 -0.233 0.000 0.502 83 I N -0.796 119.854 120.570 0.133 0.000 2.460 83 I HA 0.084 4.461 4.170 0.043 -0.181 0.297 83 I C -1.152 175.008 176.117 0.070 0.000 1.139 83 I CA -0.233 61.109 61.300 0.071 0.000 1.340 83 I CB -1.312 36.710 38.000 0.037 0.000 1.444 83 I HN -0.805 7.469 8.210 0.193 0.051 0.557 84 I N 5.908 126.511 120.570 0.055 0.000 2.532 84 I HA 0.317 4.639 4.170 0.059 -0.117 0.292 84 I C 0.076 176.212 176.117 0.031 0.000 1.014 84 I CA -0.635 60.695 61.300 0.049 0.000 1.340 84 I CB 0.709 38.735 38.000 0.044 0.000 1.422 84 I HN 0.307 8.545 8.210 0.046 0.000 0.528 85 G N 2.425 111.242 108.800 0.030 0.000 2.347 85 G HA2 -0.123 3.847 3.960 0.017 0.000 0.303 85 G HA3 -0.123 3.846 3.960 0.015 0.000 0.303 85 G C -1.293 173.619 174.900 0.020 0.000 1.481 85 G CA 0.410 45.522 45.100 0.020 0.000 0.914 85 G HN 0.473 8.784 8.290 0.035 0.000 0.638 86 G N -1.854 106.955 108.800 0.015 0.000 2.225 86 G HA2 -0.407 3.711 3.960 0.011 0.000 0.267 86 G HA3 -0.407 3.561 3.960 0.013 0.000 0.267 86 G C 0.565 175.475 174.900 0.017 0.000 1.024 86 G CA 0.764 45.872 45.100 0.014 0.000 0.784 86 G HN 0.371 8.740 8.290 0.012 -0.072 0.507 87 G N -4.055 104.755 108.800 0.018 0.000 2.155 87 G HA2 -0.484 3.488 3.960 0.019 0.000 0.257 87 G HA3 -0.484 3.487 3.960 0.017 0.000 0.257 87 G C -1.059 173.855 174.900 0.023 0.000 0.983 87 G CA 0.511 45.622 45.100 0.019 0.000 0.676 87 G HN 0.320 8.587 8.290 0.018 0.033 0.528 88 L N -3.446 117.793 121.223 0.027 0.000 2.327 88 L HA 0.317 4.749 4.340 0.032 -0.072 0.258 88 L C -2.478 174.419 176.870 0.045 0.000 1.024 88 L CA -1.913 52.948 54.840 0.034 0.000 0.825 88 L CB 3.660 45.739 42.059 0.033 0.000 1.386 88 L HN -0.236 7.811 8.230 0.026 0.199 0.417 89 R N 0.967 121.500 120.500 0.055 0.000 2.435 89 R HA 0.337 4.861 4.340 0.079 -0.137 0.308 89 R C -1.321 175.038 176.300 0.098 0.000 0.975 89 R CA -0.966 55.181 56.100 0.077 0.000 0.867 89 R CB 2.113 32.459 30.300 0.077 0.000 1.171 89 R HN 0.215 8.515 8.270 0.049 0.000 0.470 90 M N 6.523 126.198 119.600 0.125 0.000 2.055 90 M HA 0.269 4.834 4.480 0.141 0.000 0.347 90 M C -1.794 174.659 176.300 0.255 0.000 1.123 90 M CA -1.195 54.205 55.300 0.165 0.000 1.035 90 M CB 0.209 32.905 32.600 0.160 0.000 1.484 90 M HN -0.296 8.063 8.290 0.115 0.000 0.428 91 N N 4.083 122.930 118.700 0.244 0.000 2.444 91 N HA 0.410 5.695 4.740 0.569 -0.204 0.271 91 N C -0.852 174.888 175.510 0.383 0.000 1.069 91 N CA 0.234 53.488 53.050 0.340 0.000 0.965 91 N CB 1.468 39.988 38.487 0.055 0.000 1.092 91 N HN -0.416 8.060 8.380 0.160 0.000 0.476 92 F N 4.671 124.859 119.950 0.397 0.000 2.363 92 F HA 0.576 5.409 4.527 0.224 -0.172 0.332 92 F C 0.424 176.372 175.800 0.246 0.000 1.039 92 F CA -1.338 56.858 58.000 0.326 0.000 1.127 92 F CB 2.716 41.994 39.000 0.463 0.000 1.701 92 F HN -0.029 8.818 8.300 0.912 0.000 0.532 93 G N -0.716 108.121 108.800 0.063 0.000 3.250 93 G HA2 -0.099 4.044 3.960 0.008 0.000 0.235 93 G HA3 -0.099 3.794 3.960 -0.111 0.000 0.235 93 G C -2.036 172.788 174.900 -0.127 0.000 3.899 93 G CA 0.107 45.178 45.100 -0.048 0.000 0.435 93 G HN -0.273 7.940 8.290 -0.128 0.000 0.310 94 F N -0.358 119.609 119.950 0.030 0.000 2.370 94 F HA 0.817 5.476 4.527 -0.083 -0.182 0.324 94 F C -2.076 173.749 175.800 0.041 0.000 1.116 94 F CA -2.998 55.022 58.000 0.032 0.000 1.123 94 F CB 2.174 41.310 39.000 0.227 0.000 1.238 94 F HN -0.411 7.981 8.300 0.154 0.000 0.536 95 T N -2.494 112.232 114.554 0.286 0.000 2.991 95 T HA 0.376 4.748 4.350 0.036 0.000 0.303 95 T C -0.285 174.572 174.700 0.261 0.000 1.015 95 T CA -0.980 61.213 62.100 0.155 0.000 1.007 95 T CB 2.623 71.506 68.868 0.026 0.000 1.034 95 T HN -0.052 8.398 8.240 0.349 0.000 0.446 96 K N 3.233 123.795 120.400 0.269 0.000 3.117 96 K HA -0.494 3.939 4.320 0.188 0.000 0.269 96 K C -2.085 174.634 176.600 0.198 0.000 1.098 96 K CA 1.373 57.781 56.287 0.201 0.000 0.785 96 K CB -1.383 31.186 32.500 0.114 0.000 1.242 96 K HN 0.684 9.087 8.250 0.256 0.000 0.491 97 c N -3.223 115.544 118.600 0.279 0.000 2.561 97 c HA 0.338 4.926 4.570 0.030 0.000 0.319 97 c C -1.912 172.078 174.090 -0.168 0.000 1.198 97 c CA -2.938 53.403 56.329 0.020 0.000 1.665 97 c CB 1.810 44.288 42.510 -0.053 0.000 2.258 97 c HN -0.370 8.184 8.230 0.569 0.017 0.493 98 P HA -0.186 4.237 4.420 0.005 0.000 0.267 98 P C -0.897 176.259 177.300 -0.240 0.000 1.175 98 P CA 0.149 63.188 63.100 -0.103 0.000 0.763 98 P CB 0.393 32.040 31.700 -0.088 0.000 0.795 99 Q N 0.694 120.461 119.800 -0.055 0.000 2.395 99 Q HA -0.170 4.190 4.340 0.034 0.000 0.271 99 Q C -0.804 175.155 176.000 -0.069 0.000 1.026 99 Q CA 1.099 56.900 55.803 -0.003 0.000 0.900 99 Q CB 0.822 29.624 28.738 0.107 0.000 1.266 99 Q HN 0.198 8.492 8.270 0.040 0.000 0.430 100 I N 2.151 122.702 120.570 -0.031 0.000 2.330 100 I HA 0.139 4.334 4.170 -0.135 -0.106 0.289 100 I C -0.253 175.809 176.117 -0.091 0.000 1.001 100 I CA -0.482 60.754 61.300 -0.106 0.000 1.193 100 I CB -0.070 37.820 38.000 -0.183 0.000 1.345 100 I HN 0.491 8.780 8.210 0.132 0.000 0.461 101 K N 5.599 125.941 120.400 -0.097 0.000 2.402 101 K HA 0.274 4.545 4.320 -0.082 0.000 0.204 101 K C -0.736 175.786 176.600 -0.130 0.000 1.056 101 K CA -0.980 55.255 56.287 -0.088 0.000 1.069 101 K CB 1.141 33.619 32.500 -0.038 0.000 0.888 101 K HN 0.049 8.242 8.250 -0.094 0.000 0.546 102 S N 0.275 115.879 115.700 -0.160 0.000 2.530 102 S HA 0.169 4.545 4.470 -0.156 0.000 0.322 102 S C -1.613 172.864 174.600 -0.204 0.000 1.085 102 S CA -0.750 57.352 58.200 -0.163 0.000 1.096 102 S CB 1.406 64.529 63.200 -0.129 0.000 0.988 102 S HN -0.151 8.058 8.310 -0.169 0.000 0.466 103 I N 6.287 126.742 120.570 -0.192 0.000 2.478 103 I HA 0.594 4.762 4.170 -0.225 -0.133 0.287 103 I C -2.203 173.831 176.117 -0.137 0.000 1.042 103 I CA -1.142 60.038 61.300 -0.200 0.000 1.067 103 I CB 2.755 40.614 38.000 -0.235 0.000 1.233 103 I HN 0.511 8.620 8.210 -0.170 0.000 0.431 104 S N 8.488 124.119 115.700 -0.116 0.000 2.588 104 S HA 0.701 5.260 4.470 -0.070 -0.131 0.275 104 S C -1.733 172.830 174.600 -0.062 0.000 1.130 104 S CA -0.728 57.425 58.200 -0.078 0.000 0.855 104 S CB 4.081 67.242 63.200 -0.065 0.000 1.116 104 S HN 0.180 8.412 8.310 -0.131 0.000 0.472 105 E N -0.492 119.683 120.200 -0.041 0.000 2.449 105 E HA 0.430 4.871 4.350 -0.030 -0.109 0.278 105 E C -2.099 174.490 176.600 -0.017 0.000 0.992 105 E CA -0.862 55.521 56.400 -0.028 0.000 0.807 105 E CB 5.238 34.924 29.700 -0.023 0.000 1.350 105 E HN 0.464 8.802 8.360 -0.037 0.000 0.462 106 S N -0.956 114.737 115.700 -0.012 0.000 2.567 106 S HA 0.295 4.762 4.470 -0.005 0.000 0.270 106 S C -2.935 171.663 174.600 -0.004 0.000 1.152 106 S CA -0.622 57.575 58.200 -0.007 0.000 0.835 106 S CB 1.656 64.853 63.200 -0.006 0.000 1.115 106 S HN 0.002 8.305 8.310 -0.011 0.000 0.459 107 A N 2.336 125.156 122.820 -0.001 0.000 2.359 107 A HA 0.475 4.920 4.320 0.000 -0.125 0.303 107 A C -1.709 175.876 177.584 0.001 0.000 1.066 107 A CA -1.313 50.724 52.037 0.000 0.000 0.730 107 A CB 2.842 21.843 19.000 0.002 0.000 1.211 107 A HN 0.424 8.573 8.150 -0.001 0.000 0.439 108 D N 1.792 122.192 120.400 0.000 0.000 2.479 108 D HA 0.132 4.773 4.640 0.001 0.000 0.246 108 D C 0.342 176.643 176.300 0.001 0.000 1.336 108 D CA -0.597 53.403 54.000 0.001 0.000 0.967 108 D CB 1.470 42.270 40.800 0.000 0.000 1.275 108 D HN -0.102 8.268 8.370 0.000 0.000 0.577 109 G N 5.961 114.762 108.800 0.002 0.000 2.531 109 G HA2 -0.469 3.493 3.960 0.002 0.000 0.274 109 G HA3 -0.469 3.492 3.960 0.001 0.000 0.274 109 G C -0.922 173.980 174.900 0.003 0.000 1.159 109 G CA 1.041 46.143 45.100 0.002 0.000 0.969 109 G HN 0.362 8.653 8.290 0.002 0.000 0.554 110 N N 3.993 122.695 118.700 0.003 0.000 2.295 110 N HA 0.031 4.775 4.740 0.006 0.000 0.221 110 N C -1.425 174.088 175.510 0.005 0.000 1.129 110 N CA -0.395 52.657 53.050 0.005 0.000 0.836 110 N CB 0.253 38.743 38.487 0.005 0.000 1.040 110 N HN 0.130 8.511 8.380 0.002 0.000 0.494 111 T N -3.586 110.970 114.554 0.002 0.000 2.906 111 T HA 0.731 5.182 4.350 0.002 -0.100 0.295 111 T C -1.786 172.914 174.700 -0.000 0.000 1.075 111 T CA -1.734 60.366 62.100 0.000 0.000 1.005 111 T CB 3.399 72.265 68.868 -0.004 0.000 1.136 111 T HN -0.617 7.520 8.240 0.002 0.104 0.498 112 V N -4.366 115.547 119.914 -0.002 0.000 2.808 112 V HA 0.732 4.975 4.120 -0.002 -0.124 0.308 112 V C -2.370 173.720 176.094 -0.006 0.000 1.099 112 V CA -2.582 59.717 62.300 -0.001 0.000 0.920 112 V CB 3.348 35.173 31.823 0.004 0.000 1.014 112 V HN 0.596 8.784 8.190 -0.003 0.000 0.425 113 N N 3.318 122.013 118.700 -0.008 0.000 2.518 113 N HA 1.006 5.950 4.740 -0.015 -0.214 0.284 113 N C -1.115 174.386 175.510 -0.015 0.000 1.230 113 N CA -1.969 51.074 53.050 -0.013 0.000 0.941 113 N CB 3.757 42.236 38.487 -0.013 0.000 1.219 113 N HN 0.146 8.523 8.380 -0.007 0.000 0.560 114 A N -2.009 120.798 122.820 -0.021 0.000 2.500 114 A HA 0.334 4.805 4.320 -0.041 -0.176 0.291 114 A C -2.627 174.923 177.584 -0.057 0.000 1.048 114 A CA -0.039 51.976 52.037 -0.036 0.000 0.791 114 A CB 2.845 21.832 19.000 -0.022 0.000 1.309 114 A HN -0.044 8.093 8.150 -0.022 0.000 0.397 115 R N 4.134 124.587 120.500 -0.078 0.000 2.288 115 R HA 0.540 4.977 4.340 -0.094 -0.153 0.326 115 R C -1.773 174.438 176.300 -0.149 0.000 0.959 115 R CA -1.601 54.441 56.100 -0.096 0.000 0.834 115 R CB 1.734 31.996 30.300 -0.065 0.000 1.157 115 R HN 0.085 8.310 8.270 -0.074 0.000 0.470 116 L N 7.715 128.818 121.223 -0.200 0.000 2.333 116 L HA 0.984 5.370 4.340 -0.286 -0.218 0.280 116 L C -1.381 175.354 176.870 -0.225 0.000 1.004 116 L CA -0.932 53.731 54.840 -0.294 0.000 0.820 116 L CB 2.656 44.398 42.059 -0.528 0.000 1.247 116 L HN -0.240 7.886 8.230 -0.174 0.000 0.416 117 S N 2.627 118.208 115.700 -0.200 0.000 2.661 117 S HA 0.640 5.147 4.470 -0.142 -0.123 0.268 117 S C -1.961 172.559 174.600 -0.135 0.000 1.162 117 S CA -0.869 57.245 58.200 -0.143 0.000 0.817 117 S CB 2.470 65.616 63.200 -0.089 0.000 1.141 117 S HN 0.671 8.851 8.310 -0.218 0.000 0.477 118 S N -0.112 115.522 115.700 -0.110 0.000 2.693 118 S HA 0.373 4.799 4.470 -0.073 0.000 0.276 118 S C -0.282 174.285 174.600 -0.055 0.000 1.192 118 S CA -1.016 57.135 58.200 -0.080 0.000 0.994 118 S CB 2.087 65.234 63.200 -0.087 0.000 1.012 118 S HN 0.213 8.459 8.310 -0.108 0.000 0.550 119 V N -6.639 113.271 119.914 -0.008 0.000 2.644 119 V HA 0.288 4.396 4.120 -0.021 0.000 0.295 119 V C -0.109 176.009 176.094 0.040 0.000 1.053 119 V CA -1.806 60.497 62.300 0.005 0.000 0.987 119 V CB 1.086 32.917 31.823 0.013 0.000 1.006 119 V HN 0.049 8.252 8.190 0.023 0.000 0.472 120 S N 3.897 119.611 115.700 0.023 0.000 2.610 120 S HA 0.265 4.761 4.470 0.043 0.000 0.273 120 S C -0.882 173.762 174.600 0.074 0.000 1.274 120 S CA -2.016 56.209 58.200 0.041 0.000 1.023 120 S CB -0.355 62.852 63.200 0.011 0.000 0.962 120 S HN -0.377 7.937 8.310 0.007 0.000 0.523 121 P HA -0.238 4.370 4.420 0.074 -0.143 0.271 121 P C 0.242 177.569 177.300 0.045 0.000 1.212 121 P CA 0.810 63.955 63.100 0.075 0.000 0.788 121 P CB 0.314 32.058 31.700 0.072 0.000 0.865 122 G N -0.148 108.672 108.800 0.033 0.000 2.352 122 G HA2 -0.399 3.714 3.960 0.022 0.000 0.283 122 G HA3 -0.399 3.579 3.960 0.024 -0.003 0.283 122 G C -1.203 173.716 174.900 0.030 0.000 0.946 122 G CA 0.806 45.922 45.100 0.027 0.000 1.317 122 G HN 0.262 8.433 8.290 0.029 0.137 0.478 123 Q N 1.574 121.393 119.800 0.033 0.000 2.521 123 Q HA 0.101 4.468 4.340 0.046 0.000 0.215 123 Q C -0.353 175.676 176.000 0.049 0.000 0.750 123 Q CA 0.389 56.216 55.803 0.040 0.000 0.945 123 Q CB 3.128 31.884 28.738 0.030 0.000 1.320 123 Q HN -0.545 7.743 8.270 0.030 0.000 0.501 124 G N -3.345 105.477 108.800 0.036 0.000 2.902 124 G HA2 -0.256 3.723 3.960 0.032 0.000 0.215 124 G HA3 -0.256 3.737 3.960 0.056 0.000 0.215 124 G C -0.951 173.964 174.900 0.024 0.000 0.976 124 G CA 0.152 45.275 45.100 0.037 0.000 0.794 124 G HN 0.041 8.348 8.290 0.029 0.000 0.557 125 K N 0.235 120.645 120.400 0.017 0.000 2.312 125 K HA 0.416 4.742 4.320 0.009 0.000 0.236 125 K C -1.794 174.810 176.600 0.006 0.000 1.079 125 K CA -2.347 53.947 56.287 0.010 0.000 0.900 125 K CB 1.713 34.215 32.500 0.004 0.000 1.297 125 K HN -0.387 7.875 8.250 0.020 0.000 0.498 126 D N -0.222 120.178 120.400 0.001 0.000 2.384 126 D HA -0.079 4.542 4.640 -0.032 0.000 0.244 126 D C -0.439 175.841 176.300 -0.034 0.000 1.251 126 D CA 0.766 54.752 54.000 -0.022 0.000 0.961 126 D CB 0.636 41.423 40.800 -0.021 0.000 1.116 126 D HN -0.170 8.204 8.370 0.006 0.000 0.484 127 S N -0.953 114.656 115.700 -0.152 0.000 2.730 127 S HA 0.190 4.509 4.470 -0.252 0.000 0.150 127 S C -2.556 171.510 174.600 -0.891 0.000 1.139 127 S CA -1.061 56.885 58.200 -0.423 0.000 1.155 127 S CB 0.763 63.884 63.200 -0.131 0.000 1.682 127 S HN -0.025 8.191 8.310 -0.156 0.000 0.452 128 P HA -0.200 4.075 4.420 -0.241 0.000 0.259 128 P C -2.250 174.793 177.300 -0.428 0.000 1.163 128 P CA 0.720 63.594 63.100 -0.378 0.000 0.760 128 P CB 0.343 31.954 31.700 -0.148 0.000 0.762 129 A N 1.968 124.660 122.820 -0.213 0.000 2.303 129 A HA 0.136 4.440 4.320 -0.026 0.000 0.317 129 A C -1.567 175.997 177.584 -0.034 0.000 1.149 129 A CA -1.187 50.797 52.037 -0.089 0.000 0.822 129 A CB 2.072 21.022 19.000 -0.084 0.000 1.131 129 A HN 0.091 8.136 8.150 -0.174 0.000 0.493 130 I N -6.995 113.570 120.570 -0.009 0.000 3.102 130 I HA 0.354 4.516 4.170 -0.013 0.000 0.310 130 I C -1.962 174.129 176.117 -0.042 0.000 1.246 130 I CA -2.504 58.789 61.300 -0.011 0.000 0.979 130 I CB 3.416 41.427 38.000 0.018 0.000 1.267 130 I HN -0.499 7.713 8.210 0.004 0.000 0.451 131 T N -4.561 109.983 114.554 -0.016 0.000 2.732 131 T HA 0.225 4.746 4.350 -0.010 -0.177 0.287 131 T C 1.467 176.161 174.700 -0.010 0.000 0.993 131 T CA -1.473 60.633 62.100 0.010 0.000 0.966 131 T CB 1.661 70.573 68.868 0.072 0.000 1.047 131 T HN 0.024 8.266 8.240 0.004 0.000 0.527 132 H N 0.392 119.502 119.070 0.067 0.000 2.428 132 H HA -0.294 4.316 4.556 0.090 0.000 0.296 132 H C 1.980 177.335 175.328 0.044 0.000 1.062 132 H CA 4.816 60.907 56.048 0.072 0.000 1.350 132 H CB 0.386 30.192 29.762 0.072 0.000 1.403 132 H HN 0.608 9.120 8.280 0.386 0.000 0.533 133 E N -0.113 120.183 120.200 0.160 0.000 2.072 133 E HA -0.303 4.100 4.350 0.088 0.000 0.191 133 E C 2.141 178.779 176.600 0.062 0.000 0.985 133 E CA 2.852 59.307 56.400 0.092 0.000 0.801 133 E CB -1.154 28.588 29.700 0.071 0.000 0.750 133 E HN 0.360 8.827 8.360 0.179 0.000 0.452 134 E N -0.149 120.083 120.200 0.053 0.000 2.150 134 E HA -0.254 4.119 4.350 0.038 0.000 0.193 134 E C 2.193 178.814 176.600 0.035 0.000 0.985 134 E CA 2.150 58.574 56.400 0.039 0.000 0.814 134 E CB -0.235 29.485 29.700 0.032 0.000 0.752 134 E HN -0.705 7.691 8.360 0.059 0.000 0.466 135 A N 0.906 123.745 122.820 0.030 0.000 1.840 135 A HA -0.189 4.143 4.320 0.020 0.000 0.214 135 A C 1.555 179.155 177.584 0.026 0.000 1.198 135 A CA 2.835 54.883 52.037 0.019 0.000 0.608 135 A CB -0.287 18.707 19.000 -0.010 0.000 0.839 135 A HN -0.387 7.673 8.150 0.034 0.110 0.443 136 L N -1.504 119.743 121.223 0.040 0.000 2.129 136 L HA -0.372 3.983 4.340 0.025 0.000 0.212 136 L C 1.646 178.531 176.870 0.026 0.000 1.087 136 L CA 2.794 57.654 54.840 0.034 0.000 0.757 136 L CB -0.420 41.667 42.059 0.047 0.000 0.896 136 L HN 0.075 8.230 8.230 0.057 0.109 0.434 137 A N -1.853 120.986 122.820 0.031 0.000 1.897 137 A HA -0.352 3.983 4.320 0.025 0.000 0.215 137 A C 1.741 179.343 177.584 0.029 0.000 1.181 137 A CA 2.812 54.866 52.037 0.029 0.000 0.620 137 A CB -0.567 18.452 19.000 0.031 0.000 0.821 137 A HN -0.543 7.520 8.150 0.037 0.109 0.443 138 M N -0.479 119.140 119.600 0.032 0.000 2.059 138 M HA -0.447 4.060 4.480 0.045 0.000 0.259 138 M C 2.404 178.724 176.300 0.032 0.000 1.072 138 M CA 4.579 59.902 55.300 0.038 0.000 1.117 138 M CB 0.316 32.940 32.600 0.039 0.000 1.320 138 M HN -0.610 7.618 8.290 0.032 0.082 0.408 139 I N -2.993 117.590 120.570 0.022 0.000 2.479 139 I HA -0.471 3.709 4.170 0.016 0.000 0.258 139 I C 0.492 176.619 176.117 0.016 0.000 1.165 139 I CA 3.221 64.529 61.300 0.014 0.000 1.422 139 I CB -0.901 37.100 38.000 0.003 0.000 1.087 139 I HN -0.067 8.154 8.210 0.019 0.000 0.441 140 K N -3.998 116.412 120.400 0.017 0.000 2.128 140 K HA -0.091 4.235 4.320 0.010 0.000 0.202 140 K C 0.913 177.527 176.600 0.024 0.000 1.050 140 K CA 1.131 57.427 56.287 0.016 0.000 0.966 140 K CB 0.138 32.646 32.500 0.013 0.000 0.759 140 K HN -0.753 7.340 8.250 0.020 0.169 0.454 141 D N -2.612 117.806 120.400 0.030 0.000 2.271 141 D HA 0.022 4.679 4.640 0.028 0.000 0.206 141 D C 0.404 176.732 176.300 0.047 0.000 0.967 141 D CA 0.187 54.208 54.000 0.035 0.000 0.867 141 D CB 0.829 41.651 40.800 0.038 0.000 0.960 141 D HN -0.586 7.722 8.370 0.031 0.081 0.509 142 c N 3.897 122.531 118.600 0.056 0.000 2.409 142 c HA -0.253 4.622 4.570 0.109 -0.239 0.398 142 c C -1.413 172.715 174.090 0.064 0.000 1.507 142 c CA 0.439 56.814 56.329 0.076 0.000 1.460 142 c CB -1.017 41.532 42.510 0.063 0.000 2.472 142 c HN 0.035 8.186 8.230 0.048 0.107 0.614 143 E N 8.148 128.391 120.200 0.072 0.000 2.260 143 E HA 0.540 5.098 4.350 0.021 -0.195 0.266 143 E C -1.017 175.590 176.600 0.011 0.000 0.887 143 E CA -1.679 54.738 56.400 0.028 0.000 0.777 143 E CB 3.643 33.344 29.700 0.002 0.000 1.205 143 E HN -0.422 8.003 8.360 0.107 0.000 0.414 144 V N 3.186 123.072 119.914 -0.046 0.000 2.997 144 V HA 0.079 4.091 4.120 -0.181 0.000 0.311 144 V C -1.829 174.105 176.094 -0.266 0.000 1.066 144 V CA -0.538 61.648 62.300 -0.190 0.000 1.039 144 V CB 1.563 33.260 31.823 -0.209 0.000 1.081 144 V HN 0.155 8.220 8.190 -0.032 0.106 0.467 145 S N 0.707 116.146 115.700 -0.435 0.000 2.540 145 S HA 0.424 4.744 4.470 -0.251 0.000 0.275 145 S C -1.851 172.550 174.600 -0.331 0.000 1.123 145 S CA -0.883 57.126 58.200 -0.318 0.000 0.907 145 S CB 2.700 65.755 63.200 -0.241 0.000 1.081 145 S HN -0.073 7.802 8.310 -0.725 0.000 0.476 146 I N -0.531 119.926 120.570 -0.188 0.000 2.722 146 I HA 0.712 5.101 4.170 -0.003 -0.221 0.295 146 I C -1.916 174.167 176.117 -0.056 0.000 1.161 146 I CA -0.754 60.508 61.300 -0.063 0.000 1.032 146 I CB 4.734 42.744 38.000 0.017 0.000 1.244 146 I HN -0.012 8.085 8.210 -0.189 0.000 0.421 147 D N 4.696 125.092 120.400 -0.007 0.000 2.752 147 D HA 0.384 5.224 4.640 -0.046 -0.227 0.242 147 D C -0.835 175.471 176.300 0.010 0.000 1.295 147 D CA -0.570 53.411 54.000 -0.031 0.000 0.846 147 D CB 1.428 42.181 40.800 -0.079 0.000 1.454 147 D HN -0.085 8.316 8.370 0.052 0.000 0.535 148 I N 3.271 123.858 120.570 0.028 0.000 2.720 148 I HA 0.383 4.816 4.170 0.063 -0.226 0.287 148 I C -1.816 174.312 176.117 0.017 0.000 1.090 148 I CA -0.243 61.082 61.300 0.041 0.000 1.384 148 I CB 1.563 39.592 38.000 0.048 0.000 1.420 148 I HN -0.521 7.704 8.210 0.024 0.000 0.575 149 R N 4.517 125.033 120.500 0.026 0.000 3.474 149 R HA 0.484 5.019 4.340 0.008 -0.190 0.224 149 R C -1.542 174.771 176.300 0.022 0.000 1.554 149 R CA -1.753 54.358 56.100 0.017 0.000 0.952 149 R CB 2.825 33.135 30.300 0.017 0.000 1.691 149 R HN -0.438 7.856 8.270 0.040 0.000 0.512 150 c N 0.283 118.896 118.600 0.021 0.000 2.407 150 c HA 0.304 4.888 4.570 0.024 0.000 0.328 150 c C -1.110 172.994 174.090 0.022 0.000 1.137 150 c CA -1.106 55.236 56.329 0.021 0.000 1.390 150 c CB -1.043 41.478 42.510 0.018 0.000 1.989 150 c HN 0.333 8.574 8.230 0.018 0.000 0.432 151 S N 6.598 122.313 115.700 0.025 0.000 2.730 151 S HA 0.230 4.715 4.470 0.024 0.000 0.284 151 S C -0.957 173.655 174.600 0.020 0.000 1.153 151 S CA -1.335 56.880 58.200 0.025 0.000 0.995 151 S CB 1.684 64.902 63.200 0.030 0.000 1.058 151 S HN 0.125 8.370 8.310 0.027 0.081 0.552 152 E N -2.073 118.139 120.200 0.019 0.000 2.794 152 E HA 0.052 4.412 4.350 0.015 0.000 0.203 152 E C -1.349 175.261 176.600 0.015 0.000 0.953 152 E CA -0.097 56.313 56.400 0.016 0.000 1.284 152 E CB 1.058 30.767 29.700 0.014 0.000 1.077 152 E HN 0.182 8.555 8.360 0.020 0.000 0.508 153 E N 1.591 121.801 120.200 0.017 0.000 2.271 153 E HA -0.155 4.203 4.350 0.015 0.000 0.255 153 E C 0.092 176.701 176.600 0.014 0.000 1.177 153 E CA 1.004 57.414 56.400 0.016 0.000 0.946 153 E CB -0.306 29.405 29.700 0.019 0.000 1.009 153 E HN -0.053 8.319 8.360 0.020 0.000 0.451 154 E N 4.218 124.425 120.200 0.012 0.000 2.502 154 E HA -0.091 4.265 4.350 0.010 0.000 0.194 154 E C -0.178 176.428 176.600 0.009 0.000 1.062 154 E CA 0.161 56.567 56.400 0.010 0.000 0.867 154 E CB 0.283 29.988 29.700 0.009 0.000 0.888 154 E HN 0.160 8.526 8.360 0.011 0.000 0.510 155 K N 0.074 120.480 120.400 0.010 0.000 2.494 155 K HA -0.193 4.132 4.320 0.008 0.000 0.273 155 K C -0.621 175.985 176.600 0.008 0.000 0.970 155 K CA 0.489 56.781 56.287 0.009 0.000 0.963 155 K CB 0.363 32.869 32.500 0.010 0.000 0.913 155 K HN -0.614 7.554 8.250 0.011 0.089 0.502 156 D N 0.472 120.876 120.400 0.007 0.000 2.352 156 D HA -0.138 4.506 4.640 0.006 0.000 0.238 156 D C 0.156 176.459 176.300 0.006 0.000 1.286 156 D CA 1.006 55.010 54.000 0.006 0.000 0.923 156 D CB 0.529 41.333 40.800 0.005 0.000 1.146 156 D HN 0.006 8.380 8.370 0.007 0.000 0.471 157 S N -1.884 113.819 115.700 0.005 0.000 2.578 157 S HA -0.104 4.462 4.470 0.004 -0.094 0.283 157 S C -0.811 173.791 174.600 0.003 0.000 1.195 157 S CA -0.323 57.879 58.200 0.004 0.000 1.050 157 S CB 1.710 64.912 63.200 0.003 0.000 1.012 157 S HN -0.105 8.208 8.310 0.005 0.000 0.511 158 D N 3.726 124.127 120.400 0.001 0.000 2.438 158 D HA 0.302 4.944 4.640 0.003 0.000 0.257 158 D C -1.776 174.523 176.300 -0.002 0.000 1.148 158 D CA -0.832 53.169 54.000 0.001 0.000 0.902 158 D CB 0.766 41.566 40.800 0.001 0.000 1.062 158 D HN 0.122 8.493 8.370 0.000 0.000 0.518 159 I N -1.252 119.318 120.570 0.001 0.000 3.217 159 I HA 0.770 5.086 4.170 -0.006 -0.150 0.308 159 I C -1.162 174.961 176.117 0.009 0.000 1.091 159 I CA -3.248 58.053 61.300 0.000 0.000 1.013 159 I CB 2.448 40.449 38.000 0.001 0.000 1.250 159 I HN -0.223 7.988 8.210 0.003 0.000 0.496 160 K N 0.714 121.123 120.400 0.016 0.000 2.507 160 K HA 0.285 4.625 4.320 0.034 0.000 0.251 160 K C 0.103 176.737 176.600 0.057 0.000 0.943 160 K CA -0.862 55.448 56.287 0.038 0.000 0.794 160 K CB 2.417 34.946 32.500 0.048 0.000 1.188 160 K HN -0.139 8.117 8.250 0.009 0.000 0.428 161 T N 4.656 119.241 114.554 0.051 0.000 3.118 161 T HA -0.230 4.142 4.350 0.037 0.000 0.269 161 T C -0.531 174.219 174.700 0.084 0.000 1.166 161 T CA 2.340 64.467 62.100 0.046 0.000 1.073 161 T CB -0.134 68.745 68.868 0.019 0.000 0.884 161 T HN 0.209 8.473 8.240 0.039 0.000 0.550 162 H N 3.687 122.751 119.070 -0.010 0.000 2.878 162 H HA 0.204 4.755 4.556 -0.008 0.000 0.290 162 H C -1.447 173.874 175.328 -0.012 0.000 1.065 162 H CA -3.829 52.213 56.048 -0.010 0.000 1.477 162 H CB -0.046 29.710 29.762 -0.011 0.000 1.484 162 H HN -0.417 7.847 8.280 0.176 0.122 0.504 163 P HA -0.240 4.244 4.420 0.107 0.000 0.271 163 P C -1.374 175.967 177.300 0.068 0.000 1.212 163 P CA 0.488 63.706 63.100 0.196 0.000 0.788 163 P CB 0.859 32.662 31.700 0.171 0.000 0.865 164 V N 0.289 120.205 119.914 0.004 0.000 2.488 164 V HA -0.088 3.968 4.120 -0.107 0.000 0.277 164 V C -0.136 175.922 176.094 -0.060 0.000 1.046 164 V CA -0.021 62.245 62.300 -0.057 0.000 0.986 164 V CB 0.883 32.682 31.823 -0.039 0.000 0.989 164 V HN 0.069 8.272 8.190 0.021 0.000 0.475 165 L N 8.305 129.462 121.223 -0.110 0.000 2.361 165 L HA 0.106 4.418 4.340 -0.046 0.000 0.278 165 L C -0.021 176.818 176.870 -0.053 0.000 1.113 165 L CA -0.561 54.231 54.840 -0.080 0.000 0.849 165 L CB -0.623 41.369 42.059 -0.112 0.000 1.155 165 L HN 0.095 8.230 8.230 -0.157 0.000 0.452 166 G N 0.866 109.650 108.800 -0.027 0.000 2.462 166 G HA2 0.386 4.336 3.960 -0.017 0.000 0.319 166 G HA3 0.386 4.342 3.960 -0.007 0.000 0.319 166 G C -0.491 174.398 174.900 -0.019 0.000 1.171 166 G CA -1.021 44.069 45.100 -0.016 0.000 0.920 166 G HN 0.073 8.353 8.290 -0.017 0.000 0.499 167 S N -0.308 115.382 115.700 -0.016 0.000 2.605 167 S HA -0.110 4.395 4.470 -0.043 -0.061 0.217 167 S C 0.381 174.962 174.600 -0.032 0.000 0.958 167 S CA 0.723 58.903 58.200 -0.034 0.000 0.919 167 S CB 0.715 63.890 63.200 -0.041 0.000 0.780 167 S HN 0.299 8.610 8.310 0.002 0.000 0.507 168 N N -2.154 116.533 118.700 -0.022 0.000 2.809 168 N HA -0.314 4.407 4.740 -0.032 0.000 0.244 168 N C -1.909 173.575 175.510 -0.043 0.000 1.018 168 N CA 1.306 54.338 53.050 -0.030 0.000 0.917 168 N CB -0.505 37.969 38.487 -0.022 0.000 1.130 168 N HN -0.047 8.228 8.380 -0.015 0.095 0.591 169 I N -1.945 118.605 120.570 -0.032 0.000 2.440 169 I HA 0.035 4.179 4.170 -0.044 0.000 0.294 169 I C -0.683 175.385 176.117 -0.081 0.000 0.995 169 I CA -0.782 60.499 61.300 -0.030 0.000 1.306 169 I CB 1.073 39.075 38.000 0.004 0.000 1.407 169 I HN -0.310 7.760 8.210 -0.016 0.131 0.501 170 S N 6.849 122.470 115.700 -0.131 0.000 2.671 170 S HA 0.123 4.215 4.470 -0.630 0.000 0.272 170 S C -0.825 173.667 174.600 -0.180 0.000 1.174 170 S CA -0.476 57.523 58.200 -0.335 0.000 1.004 170 S CB 1.380 64.464 63.200 -0.194 0.000 1.077 170 S HN 0.165 8.429 8.310 -0.078 0.000 0.553 171 H N -1.452 117.619 119.070 0.000 0.000 2.567 171 H HA 0.357 4.920 4.556 0.012 0.000 0.267 171 H C -0.286 175.049 175.328 0.011 0.000 1.148 171 H CA -1.212 54.842 56.048 0.010 0.000 1.031 171 H CB 0.318 30.088 29.762 0.015 0.000 1.691 171 H HN 0.296 8.342 8.280 -0.390 0.000 0.588 172 K N 0.797 121.232 120.400 0.058 0.000 2.293 172 K HA -0.155 4.187 4.320 0.036 0.000 0.248 172 K C 0.743 177.373 176.600 0.051 0.000 1.094 172 K CA 0.955 57.264 56.287 0.037 0.000 0.824 172 K CB 0.506 33.010 32.500 0.006 0.000 1.106 172 K HN -0.156 8.031 8.250 0.007 0.067 0.514 173 K N 0.105 120.526 120.400 0.035 0.000 2.240 173 K HA 0.056 4.404 4.320 0.047 0.000 0.271 173 K C -0.362 176.259 176.600 0.035 0.000 1.018 173 K CA -0.323 55.987 56.287 0.038 0.000 0.874 173 K CB -0.195 32.324 32.500 0.031 0.000 1.098 173 K HN 0.085 8.350 8.250 0.025 0.000 0.458 174 V N -1.737 118.203 119.914 0.044 0.000 3.069 174 V HA 0.396 4.533 4.120 0.029 0.000 0.312 174 V C -0.564 175.560 176.094 0.050 0.000 1.369 174 V CA -2.913 59.408 62.300 0.035 0.000 1.047 174 V CB 2.381 34.216 31.823 0.019 0.000 1.098 174 V HN 0.102 8.324 8.190 0.053 0.000 0.473 175 S N 0.041 115.749 115.700 0.013 0.000 2.554 175 S HA -0.129 4.349 4.470 0.014 0.000 0.290 175 S C -0.684 173.909 174.600 -0.012 0.000 1.309 175 S CA 1.627 59.807 58.200 -0.034 0.000 1.047 175 S CB 0.677 63.803 63.200 -0.124 0.000 0.828 175 S HN 0.300 8.608 8.310 -0.003 0.000 0.509 176 Y N -1.314 118.985 120.300 -0.001 0.000 2.320 176 Y HA 0.691 5.457 4.550 -0.004 -0.218 0.334 176 Y C -0.312 175.592 175.900 0.006 0.000 1.055 176 Y CA -2.166 55.932 58.100 -0.004 0.000 1.143 176 Y CB 1.320 39.768 38.460 -0.019 0.000 1.193 176 Y HN -0.106 8.007 8.280 -0.278 0.000 0.477 177 E N 4.366 124.612 120.200 0.075 0.000 2.290 177 E HA 0.214 4.568 4.350 0.006 0.000 0.274 177 E C -1.602 175.062 176.600 0.108 0.000 0.889 177 E CA -1.453 54.968 56.400 0.035 0.000 0.760 177 E CB 4.230 33.917 29.700 -0.022 0.000 1.206 177 E HN 0.147 8.582 8.360 0.125 0.000 0.419 178 D N 6.083 126.554 120.400 0.119 0.000 2.367 178 D HA 0.008 4.745 4.640 0.161 0.000 0.255 178 D C -0.725 175.624 176.300 0.082 0.000 1.300 178 D CA 1.307 55.381 54.000 0.123 0.000 0.959 178 D CB -0.539 40.330 40.800 0.115 0.000 1.064 178 D HN 0.306 8.742 8.370 0.111 0.000 0.509 179 I N 0.997 121.619 120.570 0.087 0.000 3.136 179 I HA 0.029 4.504 4.170 0.045 -0.278 0.262 179 I C 0.759 176.894 176.117 0.029 0.000 1.132 179 I CA 0.110 61.444 61.300 0.057 0.000 1.450 179 I CB 1.380 39.420 38.000 0.066 0.000 1.315 179 I HN -0.383 7.898 8.210 0.117 0.000 0.460 180 I N 0.171 120.765 120.570 0.041 0.000 2.752 180 I HA -0.425 3.703 4.170 -0.071 0.000 0.286 180 I C 0.052 176.100 176.117 -0.115 0.000 1.180 180 I CA 1.123 62.395 61.300 -0.048 0.000 1.404 180 I CB -1.032 36.935 38.000 -0.054 0.000 1.389 180 I HN -0.784 7.656 8.210 0.098 -0.171 0.549 181 G N 7.503 116.216 108.800 -0.145 0.000 3.224 181 G HA2 0.082 3.971 3.960 -0.117 0.000 0.161 181 G HA3 0.082 4.028 3.960 -0.135 -0.067 0.161 181 G C -1.043 173.729 174.900 -0.215 0.000 1.872 181 G CA -0.488 44.522 45.100 -0.150 0.000 1.012 181 G HN 0.147 8.238 8.290 -0.149 0.109 0.504 182 S N -0.495 115.088 115.700 -0.194 0.000 2.580 182 S HA -0.019 4.318 4.470 -0.223 0.000 0.274 182 S C -0.491 173.962 174.600 -0.245 0.000 1.329 182 S CA 0.559 58.634 58.200 -0.208 0.000 1.036 182 S CB 0.341 63.446 63.200 -0.160 0.000 0.919 182 S HN 0.123 8.333 8.310 -0.167 0.000 0.515 183 T N 1.375 115.767 114.554 -0.269 0.000 3.135 183 T HA 0.275 4.654 4.350 -0.208 -0.154 0.357 183 T C -1.126 173.452 174.700 -0.203 0.000 1.112 183 T CA -1.102 60.837 62.100 -0.268 0.000 1.290 183 T CB 0.581 69.167 68.868 -0.470 0.000 1.018 183 T HN -0.039 8.046 8.240 -0.259 0.000 0.527 184 I N 7.094 127.577 120.570 -0.145 0.000 2.385 184 I HA 0.363 4.449 4.170 -0.140 0.000 0.294 184 I C -2.328 173.726 176.117 -0.105 0.000 0.988 184 I CA -1.315 59.911 61.300 -0.124 0.000 1.265 184 I CB 2.888 40.828 38.000 -0.099 0.000 1.388 184 I HN -0.200 7.931 8.210 -0.132 0.000 0.480 185 V N 4.546 124.383 119.914 -0.128 0.000 2.668 185 V HA 0.489 4.734 4.120 -0.064 -0.163 0.304 185 V C -1.690 174.359 176.094 -0.076 0.000 1.071 185 V CA -1.805 60.429 62.300 -0.109 0.000 0.894 185 V CB 3.490 35.201 31.823 -0.187 0.000 1.008 185 V HN -0.033 8.070 8.190 -0.146 0.000 0.425 186 D N 8.824 129.204 120.400 -0.032 0.000 2.435 186 D HA 0.210 4.846 4.640 -0.006 0.000 0.230 186 D C 0.798 177.108 176.300 0.017 0.000 1.215 186 D CA 0.445 54.441 54.000 -0.006 0.000 0.947 186 D CB -0.483 40.317 40.800 -0.000 0.000 1.048 186 D HN 0.073 8.428 8.370 -0.026 0.000 0.512 187 T N 2.123 116.701 114.554 0.039 0.000 2.802 187 T HA -0.395 4.231 4.350 0.110 -0.209 0.269 187 T C 1.513 176.252 174.700 0.066 0.000 1.062 187 T CA 3.187 65.342 62.100 0.092 0.000 1.133 187 T CB -0.110 68.850 68.868 0.153 0.000 0.852 187 T HN -0.126 8.133 8.240 0.031 0.000 0.485 188 K N -0.493 119.933 120.400 0.044 0.000 2.374 188 K HA -0.248 4.093 4.320 0.035 0.000 0.202 188 K C 0.118 176.738 176.600 0.032 0.000 1.044 188 K CA 2.118 58.425 56.287 0.034 0.000 0.933 188 K CB -0.498 32.016 32.500 0.024 0.000 0.745 188 K HN 0.174 8.406 8.250 0.038 0.041 0.474 189 c N -3.935 114.687 118.600 0.036 0.000 3.489 189 c HA 0.345 4.934 4.570 0.030 0.000 0.264 189 c C -1.654 172.459 174.090 0.039 0.000 2.026 189 c CA -1.018 55.330 56.329 0.032 0.000 1.705 189 c CB 0.292 42.818 42.510 0.025 0.000 3.389 189 c HN -0.125 7.939 8.230 0.038 0.189 0.459 190 V N 0.453 120.402 119.914 0.057 0.000 2.735 190 V HA 0.261 4.577 4.120 0.059 -0.161 0.276 190 V C -1.955 174.222 176.094 0.137 0.000 1.083 190 V CA -0.158 62.187 62.300 0.074 0.000 0.923 190 V CB 2.287 34.143 31.823 0.054 0.000 1.053 190 V HN -0.061 8.036 8.190 0.065 0.133 0.471 191 K N 8.520 128.986 120.400 0.110 0.000 1.991 191 K HA -0.192 4.202 4.320 0.122 0.000 0.207 191 K C -1.234 175.456 176.600 0.151 0.000 1.045 191 K CA 2.834 59.187 56.287 0.110 0.000 0.937 191 K CB 0.761 33.287 32.500 0.044 0.000 0.720 191 K HN 0.317 8.611 8.250 0.073 0.000 0.438 192 N N -3.345 115.426 118.700 0.120 0.000 2.238 192 N HA 0.309 5.285 4.740 0.189 -0.123 0.302 192 N C -2.349 173.227 175.510 0.110 0.000 1.072 192 N CA -0.929 52.196 53.050 0.125 0.000 0.792 192 N CB 3.400 41.893 38.487 0.010 0.000 1.425 192 N HN -0.753 7.675 8.380 0.080 0.000 0.478 193 L N 2.760 124.049 121.223 0.110 0.000 2.555 193 L HA 0.545 4.961 4.340 -0.199 -0.196 0.264 193 L C -1.748 174.668 176.870 -0.755 0.000 0.972 193 L CA -0.699 54.005 54.840 -0.226 0.000 0.876 193 L CB 2.660 44.614 42.059 -0.176 0.000 1.216 193 L HN 0.509 8.805 8.230 0.292 0.108 0.415 194 E N 4.512 124.333 120.200 -0.631 0.000 2.283 194 E HA 0.319 4.284 4.350 -0.641 0.000 0.271 194 E C -0.999 175.135 176.600 -0.776 0.000 1.031 194 E CA -1.060 54.954 56.400 -0.643 0.000 0.868 194 E CB 2.311 31.898 29.700 -0.188 0.000 1.094 194 E HN -0.131 8.007 8.360 -0.370 0.000 0.401 195 F N -0.206 119.823 119.950 0.133 0.000 2.581 195 F HA 0.702 5.480 4.527 0.097 -0.193 0.311 195 F C -1.282 174.587 175.800 0.115 0.000 1.113 195 F CA -2.283 55.792 58.000 0.125 0.000 0.935 195 F CB 2.604 41.694 39.000 0.150 0.000 1.232 195 F HN -0.217 8.233 8.300 0.251 0.000 0.445 196 S N -0.117 115.734 115.700 0.252 0.000 2.548 196 S HA 0.614 5.384 4.470 0.177 -0.194 0.276 196 S C -1.460 173.199 174.600 0.097 0.000 1.129 196 S CA -0.689 57.598 58.200 0.145 0.000 0.931 196 S CB 2.923 66.156 63.200 0.055 0.000 1.068 196 S HN -0.005 8.438 8.310 0.221 0.000 0.480 197 V N 2.058 122.030 119.914 0.097 0.000 3.102 197 V HA 0.627 4.947 4.120 0.053 -0.168 0.312 197 V C -1.597 174.534 176.094 0.062 0.000 1.135 197 V CA -1.899 60.448 62.300 0.079 0.000 1.022 197 V CB 4.366 36.259 31.823 0.115 0.000 1.056 197 V HN 0.550 8.806 8.190 0.110 0.000 0.436 198 R N 2.326 122.857 120.500 0.051 0.000 3.008 198 R HA 0.250 4.768 4.340 0.049 -0.149 0.284 198 R C -2.315 174.003 176.300 0.030 0.000 1.187 198 R CA 0.199 56.330 56.100 0.052 0.000 1.139 198 R CB 3.110 33.462 30.300 0.086 0.000 1.273 198 R HN -0.074 8.222 8.270 0.044 0.000 0.410 199 I N 7.429 128.007 120.570 0.013 0.000 2.354 199 I HA 0.676 5.043 4.170 -0.026 -0.213 0.292 199 I C -2.360 173.743 176.117 -0.023 0.000 0.989 199 I CA -2.219 59.073 61.300 -0.013 0.000 1.188 199 I CB 2.536 40.528 38.000 -0.012 0.000 1.342 199 I HN -0.012 8.209 8.210 0.019 0.000 0.457 200 G N 6.702 115.475 108.800 -0.046 0.000 2.523 200 G HA2 0.110 4.214 3.960 -0.050 0.000 0.291 200 G HA3 0.110 4.305 3.960 -0.042 -0.260 0.291 200 G C -2.666 172.186 174.900 -0.080 0.000 1.450 200 G CA 0.161 45.230 45.100 -0.053 0.000 0.790 200 G HN -0.261 7.992 8.290 -0.062 0.000 0.496 201 D N 0.473 120.827 120.400 -0.077 0.000 2.520 201 D HA -0.229 4.592 4.640 -0.066 -0.220 0.243 201 D C 0.975 177.231 176.300 -0.072 0.000 1.160 201 D CA 0.558 54.517 54.000 -0.068 0.000 0.877 201 D CB 0.198 40.956 40.800 -0.070 0.000 1.150 201 D HN -0.259 8.237 8.370 -0.078 -0.173 0.494 202 M N 4.194 123.732 119.600 -0.103 0.000 2.618 202 M HA -0.058 4.439 4.480 -0.073 -0.061 0.240 202 M C -0.762 175.524 176.300 -0.024 0.000 1.123 202 M CA 1.099 56.349 55.300 -0.084 0.000 1.060 202 M CB -0.399 32.113 32.600 -0.146 0.000 1.535 202 M HN -0.173 8.025 8.290 -0.153 0.000 0.507 203 c N -3.339 115.265 118.600 0.007 0.000 2.406 203 c HA 0.062 4.650 4.570 0.030 0.000 0.343 203 c C -0.759 173.343 174.090 0.020 0.000 1.397 203 c CA -0.486 55.865 56.329 0.036 0.000 2.069 203 c CB 1.754 44.316 42.510 0.087 0.000 2.374 203 c HN -0.444 8.090 8.230 0.005 -0.301 0.545 204 K N -0.538 119.864 120.400 0.003 0.000 2.606 204 K HA 0.041 4.348 4.320 -0.021 0.000 0.259 204 K C -1.768 174.788 176.600 -0.072 0.000 1.001 204 K CA -0.093 56.179 56.287 -0.024 0.000 0.881 204 K CB 1.650 34.148 32.500 -0.003 0.000 1.288 204 K HN -0.396 8.305 8.250 0.003 -0.449 0.452 205 E N 3.708 123.871 120.200 -0.062 0.000 2.521 205 E HA -0.194 4.253 4.350 -0.074 -0.141 0.270 205 E C -0.138 176.402 176.600 -0.100 0.000 1.082 205 E CA 1.716 58.074 56.400 -0.071 0.000 0.997 205 E CB 0.275 29.947 29.700 -0.047 0.000 0.990 205 E HN 0.066 8.399 8.360 -0.045 0.000 0.458 206 S N 0.021 115.662 115.700 -0.099 0.000 3.053 206 S HA 0.020 4.433 4.470 -0.095 0.000 0.255 206 S C -0.074 174.498 174.600 -0.048 0.000 0.976 206 S CA -0.184 57.957 58.200 -0.099 0.000 1.159 206 S CB -0.408 62.696 63.200 -0.160 0.000 1.110 206 S HN -0.226 8.037 8.310 -0.080 0.000 0.633 207 S N 0.520 116.196 115.700 -0.039 0.000 4.024 207 S HA -0.496 3.960 4.470 -0.024 0.000 0.420 207 S C 1.880 176.466 174.600 -0.023 0.000 1.771 207 S CA 3.016 61.201 58.200 -0.026 0.000 4.062 207 S CB -1.695 61.493 63.200 -0.020 0.000 0.800 207 S HN -0.075 8.208 8.310 -0.044 0.000 0.459 208 E N 2.528 122.720 120.200 -0.014 0.000 2.065 208 E HA -0.268 4.071 4.350 -0.019 0.000 0.201 208 E C 1.003 177.598 176.600 -0.008 0.000 1.016 208 E CA 2.154 58.549 56.400 -0.007 0.000 0.818 208 E CB -0.252 29.458 29.700 0.017 0.000 0.749 208 E HN 0.174 8.497 8.360 -0.011 0.030 0.453 209 L N -3.523 117.700 121.223 -0.001 0.000 2.622 209 L HA -0.087 4.252 4.340 -0.002 0.000 0.233 209 L C -0.544 176.310 176.870 -0.026 0.000 1.156 209 L CA 0.276 55.109 54.840 -0.011 0.000 0.866 209 L CB -0.648 41.397 42.059 -0.024 0.000 0.980 209 L HN -0.394 7.838 8.230 0.003 0.000 0.448 210 E N -1.438 118.745 120.200 -0.028 0.000 2.134 210 E HA 0.446 4.945 4.350 -0.022 -0.162 0.278 210 E C -0.503 176.084 176.600 -0.022 0.000 0.959 210 E CA -1.758 54.627 56.400 -0.023 0.000 0.783 210 E CB 0.514 30.200 29.700 -0.023 0.000 1.095 210 E HN -0.374 7.720 8.360 -0.026 0.250 0.399 211 V N -2.499 117.408 119.914 -0.012 0.000 3.112 211 V HA 0.933 5.179 4.120 -0.018 -0.137 0.310 211 V C -2.249 173.858 176.094 0.022 0.000 1.364 211 V CA -2.839 59.455 62.300 -0.010 0.000 1.058 211 V CB 3.784 35.588 31.823 -0.032 0.000 1.079 211 V HN -0.426 7.761 8.190 -0.005 0.000 0.463 212 K N -3.854 116.570 120.400 0.040 0.000 2.658 212 K HA 0.456 4.924 4.320 0.061 -0.112 0.293 212 K C -2.228 174.421 176.600 0.083 0.000 1.026 212 K CA -0.738 55.587 56.287 0.063 0.000 0.871 212 K CB 3.354 35.894 32.500 0.066 0.000 1.524 212 K HN 0.245 8.516 8.250 0.035 0.000 0.400 213 D N -2.730 117.722 120.400 0.086 0.000 2.665 213 D HA 0.187 4.858 4.640 0.052 0.000 0.287 213 D C -1.906 174.453 176.300 0.099 0.000 1.266 213 D CA -0.423 53.629 54.000 0.087 0.000 0.830 213 D CB 3.929 44.811 40.800 0.136 0.000 1.356 213 D HN -0.150 8.272 8.370 0.087 0.000 0.437 214 G N -4.227 104.618 108.800 0.075 0.000 2.351 214 G HA2 0.044 4.289 3.960 0.397 0.000 0.296 214 G HA3 0.044 4.144 3.960 0.173 -0.037 0.296 214 G C -2.747 172.172 174.900 0.032 0.000 1.685 214 G CA 0.375 45.597 45.100 0.203 0.000 0.936 214 G HN 0.024 8.289 8.290 -0.043 0.000 0.714 215 F N 0.064 120.200 119.950 0.310 0.000 2.661 215 F HA 0.546 5.287 4.527 0.186 -0.102 0.347 215 F C -1.183 174.893 175.800 0.461 0.000 1.086 215 F CA -2.380 55.808 58.000 0.313 0.000 1.016 215 F CB 4.933 44.031 39.000 0.163 0.000 1.368 215 F HN -0.534 8.325 8.300 0.931 0.000 0.505 216 K N -1.509 119.228 120.400 0.562 0.000 2.656 216 K HA 0.317 4.794 4.320 0.261 0.000 0.241 216 K C -1.886 174.927 176.600 0.355 0.000 0.967 216 K CA -1.030 55.460 56.287 0.338 0.000 0.946 216 K CB 2.171 34.768 32.500 0.162 0.000 1.164 216 K HN 0.133 8.721 8.250 0.563 0.000 0.459 217 Y N 7.712 128.134 120.300 0.203 0.000 2.367 217 Y HA 0.192 5.035 4.550 0.186 -0.182 0.342 217 Y C -1.847 174.085 175.900 0.053 0.000 0.979 217 Y CA -1.118 57.079 58.100 0.160 0.000 1.161 217 Y CB 1.723 40.314 38.460 0.218 0.000 1.155 217 Y HN -0.158 8.302 8.280 0.299 0.000 0.503 218 V N 9.231 128.872 119.914 -0.456 0.000 2.445 218 V HA 0.163 4.336 4.120 -0.230 -0.190 0.283 218 V C -0.758 175.077 176.094 -0.431 0.000 1.014 218 V CA -0.992 61.111 62.300 -0.328 0.000 0.852 218 V CB 1.662 33.399 31.823 -0.143 0.000 1.021 218 V HN 0.739 8.492 8.190 -0.516 0.127 0.435 219 D N 9.404 129.547 120.400 -0.430 0.000 2.697 219 D HA -0.440 4.103 4.640 -0.162 0.000 0.238 219 D C 0.181 176.279 176.300 -0.337 0.000 1.152 219 D CA 1.163 55.000 54.000 -0.272 0.000 0.666 219 D CB -0.510 40.208 40.800 -0.136 0.000 1.037 219 D HN 0.618 8.935 8.370 -0.358 -0.162 0.423 220 G N -3.642 104.755 108.800 -0.672 0.000 2.234 220 G HA2 -0.535 3.447 3.960 0.037 0.000 0.260 220 G HA3 -0.535 3.380 3.960 -0.075 0.000 0.260 220 G C -0.241 174.500 174.900 -0.266 0.000 0.987 220 G CA 0.075 45.001 45.100 -0.289 0.000 0.625 220 G HN 0.443 7.913 8.290 -1.368 0.000 0.532 221 S N 3.539 119.012 115.700 -0.378 0.000 2.400 221 S HA 0.064 4.497 4.470 -0.062 0.000 0.295 221 S C -1.308 173.247 174.600 -0.076 0.000 1.113 221 S CA -1.074 57.031 58.200 -0.158 0.000 1.064 221 S CB -0.310 62.816 63.200 -0.124 0.000 0.990 221 S HN -0.391 7.390 8.310 -0.494 0.233 0.502 222 A N 7.592 130.474 122.820 0.103 0.000 2.312 222 A HA 0.604 5.330 4.320 0.339 -0.202 0.326 222 A C -0.927 176.790 177.584 0.221 0.000 1.172 222 A CA -1.429 50.767 52.037 0.264 0.000 0.821 222 A CB 2.131 21.326 19.000 0.325 0.000 1.166 222 A HN 0.092 8.298 8.150 0.094 0.000 0.493 223 S N -0.326 115.545 115.700 0.286 0.000 2.563 223 S HA 0.171 4.748 4.470 0.177 0.000 0.279 223 S C -1.861 172.815 174.600 0.125 0.000 1.155 223 S CA -0.277 58.034 58.200 0.185 0.000 0.928 223 S CB 3.081 66.335 63.200 0.091 0.000 1.107 223 S HN -0.033 8.508 8.310 0.385 0.000 0.462 224 K N 3.267 123.643 120.400 -0.039 0.000 2.218 224 K HA 0.093 3.937 4.320 -0.794 0.000 0.276 224 K C 0.222 176.673 176.600 -0.249 0.000 1.022 224 K CA -0.630 55.387 56.287 -0.450 0.000 0.946 224 K CB 0.620 32.773 32.500 -0.578 0.000 1.000 224 K HN 0.162 8.434 8.250 0.037 0.000 0.468 225 G N 0.909 109.556 108.800 -0.256 0.000 2.193 225 G HA2 -0.064 3.813 3.960 -0.139 0.000 0.305 225 G HA3 -0.064 3.844 3.960 -0.087 0.000 0.305 225 G C -1.857 172.983 174.900 -0.100 0.000 1.427 225 G CA 0.317 45.335 45.100 -0.137 0.000 1.137 225 G HN -0.388 7.688 8.290 -0.357 0.000 0.576 226 A N 5.491 128.259 122.820 -0.086 0.000 2.492 226 A HA 0.029 4.332 4.320 -0.028 0.000 0.254 226 A C -0.652 176.926 177.584 -0.011 0.000 1.091 226 A CA 0.476 52.493 52.037 -0.034 0.000 0.768 226 A CB 0.726 19.721 19.000 -0.009 0.000 1.028 226 A HN 0.132 8.220 8.150 -0.104 0.000 0.498 227 T N -1.749 112.811 114.554 0.009 0.000 2.821 227 T HA 0.118 4.475 4.350 0.012 0.000 0.306 227 T C -1.879 172.841 174.700 0.034 0.000 1.313 227 T CA -2.127 59.984 62.100 0.017 0.000 1.012 227 T CB 3.209 72.085 68.868 0.014 0.000 1.298 227 T HN -0.249 8.001 8.240 0.017 0.000 0.502 228 D N 0.639 121.058 120.400 0.032 0.000 2.357 228 D HA -0.233 4.438 4.640 0.050 0.000 0.265 228 D C -0.369 175.966 176.300 0.059 0.000 1.334 228 D CA 0.536 54.562 54.000 0.043 0.000 0.984 228 D CB -0.613 40.203 40.800 0.028 0.000 1.077 228 D HN 0.215 8.598 8.370 0.023 0.000 0.514 229 D N 3.392 123.846 120.400 0.090 0.000 2.413 229 D HA 0.087 4.771 4.640 0.075 0.000 0.237 229 D C 0.215 176.620 176.300 0.175 0.000 1.171 229 D CA 0.145 54.209 54.000 0.107 0.000 0.839 229 D CB -0.372 40.484 40.800 0.094 0.000 0.950 229 D HN -0.168 8.262 8.370 0.100 0.000 0.499 230 T N -0.943 113.688 114.554 0.127 0.000 2.915 230 T HA -0.184 4.230 4.350 0.107 0.000 0.269 230 T C 0.445 175.199 174.700 0.090 0.000 1.071 230 T CA 2.704 64.859 62.100 0.091 0.000 1.132 230 T CB -0.059 68.812 68.868 0.006 0.000 0.878 230 T HN -0.102 8.064 8.240 0.086 0.126 0.479 231 S N -1.348 114.393 115.700 0.069 0.000 2.629 231 S HA 0.090 4.590 4.470 0.049 0.000 0.236 231 S C 0.724 175.351 174.600 0.046 0.000 1.010 231 S CA -1.338 56.892 58.200 0.049 0.000 0.981 231 S CB 0.905 64.121 63.200 0.027 0.000 0.919 231 S HN -0.287 8.037 8.310 0.064 0.024 0.514 232 L N 1.100 122.357 121.223 0.057 0.000 2.211 232 L HA -0.215 4.139 4.340 0.024 0.000 0.216 232 L C -0.991 175.892 176.870 0.021 0.000 1.092 232 L CA 2.225 57.085 54.840 0.033 0.000 0.767 232 L CB 0.062 42.139 42.059 0.030 0.000 0.894 232 L HN -0.436 7.660 8.230 0.080 0.182 0.437 233 I N -11.540 109.050 120.570 0.032 0.000 2.908 233 I HA 0.171 4.349 4.170 0.012 0.000 0.300 233 I C -2.167 173.967 176.117 0.029 0.000 1.385 233 I CA -2.611 58.702 61.300 0.020 0.000 1.004 233 I CB 3.424 41.428 38.000 0.008 0.000 1.309 233 I HN -0.940 7.259 8.210 0.055 0.043 0.449 234 D N 3.718 124.129 120.400 0.018 0.000 2.383 234 D HA 0.118 4.771 4.640 0.021 0.000 0.245 234 D C 0.291 176.603 176.300 0.019 0.000 1.263 234 D CA 0.492 54.503 54.000 0.018 0.000 0.936 234 D CB -0.134 40.672 40.800 0.010 0.000 1.053 234 D HN 0.283 8.660 8.370 0.012 0.000 0.507 235 S N 3.761 119.479 115.700 0.029 0.000 2.537 235 S HA -0.250 4.236 4.470 0.028 0.000 0.240 235 S C 1.389 175.999 174.600 0.016 0.000 0.981 235 S CA 2.119 60.337 58.200 0.030 0.000 0.948 235 S CB -0.102 63.127 63.200 0.049 0.000 0.759 235 S HN 0.303 8.634 8.310 0.036 0.000 0.531 236 T N -4.692 109.869 114.554 0.012 0.000 3.088 236 T HA -0.028 4.327 4.350 0.008 0.000 0.259 236 T C 0.701 175.404 174.700 0.006 0.000 1.122 236 T CA 1.535 63.640 62.100 0.008 0.000 1.095 236 T CB -0.163 68.709 68.868 0.007 0.000 0.930 236 T HN -0.175 7.994 8.240 0.013 0.079 0.508 237 K N -0.479 119.924 120.400 0.005 0.000 2.372 237 K HA 0.149 4.471 4.320 0.003 0.000 0.200 237 K C -1.091 175.509 176.600 -0.000 0.000 1.022 237 K CA -0.952 55.337 56.287 0.003 0.000 1.125 237 K CB 0.648 33.149 32.500 0.003 0.000 0.855 237 K HN -0.439 7.656 8.250 0.007 0.160 0.524 238 L N -0.114 121.108 121.223 -0.001 0.000 2.331 238 L HA -0.079 4.254 4.340 -0.012 0.000 0.278 238 L C 0.005 176.869 176.870 -0.010 0.000 1.106 238 L CA -0.265 54.569 54.840 -0.009 0.000 0.824 238 L CB -0.443 41.608 42.059 -0.013 0.000 1.142 238 L HN -0.839 7.322 8.230 0.002 0.070 0.443 239 K N 2.122 122.514 120.400 -0.015 0.000 2.324 239 K HA 0.276 4.592 4.320 -0.006 0.000 0.253 239 K C -1.357 175.227 176.600 -0.027 0.000 0.932 239 K CA -1.709 54.571 56.287 -0.012 0.000 0.799 239 K CB 3.505 36.002 32.500 -0.005 0.000 1.154 239 K HN 0.244 8.483 8.250 -0.018 0.000 0.425 240 A N 3.539 126.340 122.820 -0.031 0.000 2.492 240 A HA 0.138 4.621 4.320 -0.071 -0.206 0.254 240 A C 0.223 177.783 177.584 -0.040 0.000 1.091 240 A CA 0.243 52.248 52.037 -0.053 0.000 0.768 240 A CB 0.447 19.403 19.000 -0.072 0.000 1.028 240 A HN 0.723 8.862 8.150 -0.019 0.000 0.498 241 c N 4.729 123.299 118.600 -0.051 0.000 2.626 241 c HA 0.186 4.828 4.570 -0.025 -0.086 0.266 241 c C -0.152 173.916 174.090 -0.036 0.000 1.317 241 c CA -0.352 55.954 56.329 -0.037 0.000 1.716 241 c CB -2.134 40.351 42.510 -0.041 0.000 1.819 241 c HN -0.048 8.141 8.230 -0.068 0.000 0.578 242 V N 0.000 119.885 119.914 -0.048 0.000 2.409 242 V HA 0.000 4.087 4.120 -0.055 0.000 0.244 242 V CA 0.000 62.276 62.300 -0.041 0.000 1.235 242 V CB 0.000 31.812 31.823 -0.019 0.000 1.184 242 V HN 0.000 8.086 8.190 -0.061 0.067 0.556