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 1jaj_20_A DATA FIRST_RESID 1 DATA SEQUENCE MLTLIQGKKI VNHLRSRLAF EYNGQLIKIL SKNIVAVGSL RREEKMLNDV DATA SEQUENCE DLLIIVPEKK LLKHVLPNIR IKGLSFSVKV CGERKCVLFI EWEKKTYQLD DATA SEQUENCE LFTALAEEKP YAIFHFTGPV SYLIRIRAAL KKKNYKLNQY GLFKNQTLVP DATA SEQUENCE LKITTEKELI KELGFTYRIP KKRL 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 4.508 4.480 0.047 0.000 0.227 1 M C 0.000 176.312 176.300 0.020 0.000 1.140 1 M CA 0.000 55.329 55.300 0.049 0.000 0.988 1 M CB 0.000 32.615 32.600 0.025 0.000 1.302 2 L N -1.014 120.227 121.223 0.030 0.000 2.465 2 L HA 0.724 5.038 4.340 -0.043 0.000 0.257 2 L C -1.697 175.171 176.870 -0.003 0.000 0.988 2 L CA -1.402 53.428 54.840 -0.018 0.000 0.827 2 L CB 3.909 45.923 42.059 -0.075 0.000 1.397 2 L HN -0.308 7.961 8.230 0.065 0.000 0.410 3 T N -2.814 111.723 114.554 -0.029 0.000 2.754 3 T HA 0.456 4.998 4.350 -0.010 -0.198 0.286 3 T C 1.243 175.935 174.700 -0.014 0.000 0.997 3 T CA -1.796 60.291 62.100 -0.020 0.000 0.982 3 T CB 1.336 70.185 68.868 -0.033 0.000 1.027 3 T HN -0.145 8.242 8.240 -0.051 -0.178 0.529 4 L N 0.924 122.140 121.223 -0.011 0.000 1.989 4 L HA -0.291 4.053 4.340 0.006 0.000 0.211 4 L C 1.679 178.540 176.870 -0.015 0.000 1.071 4 L CA 3.706 58.542 54.840 -0.006 0.000 0.749 4 L CB -0.111 41.942 42.059 -0.009 0.000 0.890 4 L HN -0.423 7.799 8.230 -0.013 0.000 0.431 5 I N -3.469 117.083 120.570 -0.029 0.000 2.423 5 I HA -0.494 3.656 4.170 -0.034 0.000 0.254 5 I C 2.351 178.432 176.117 -0.060 0.000 1.151 5 I CA 1.789 63.065 61.300 -0.042 0.000 1.421 5 I CB -1.644 36.327 38.000 -0.048 0.000 1.079 5 I HN -0.163 8.030 8.210 -0.029 0.000 0.431 6 Q N 0.481 120.240 119.800 -0.069 0.000 2.020 6 Q HA -0.357 3.899 4.340 -0.140 0.000 0.202 6 Q C 2.489 178.437 176.000 -0.087 0.000 0.982 6 Q CA 3.935 59.673 55.803 -0.109 0.000 0.838 6 Q CB -0.362 28.301 28.738 -0.125 0.000 0.899 6 Q HN -0.006 8.094 8.270 -0.056 0.137 0.423 7 G N -1.975 106.814 108.800 -0.019 0.000 2.432 7 G HA2 -0.352 3.652 3.960 0.074 0.000 0.219 7 G HA3 -0.352 3.671 3.960 0.105 0.000 0.219 7 G C 1.262 176.189 174.900 0.045 0.000 1.135 7 G CA 1.841 46.975 45.100 0.057 0.000 0.767 7 G HN -0.416 7.869 8.290 -0.008 0.000 0.550 8 K N 1.793 122.199 120.400 0.010 0.000 2.026 8 K HA -0.302 4.030 4.320 0.021 0.000 0.208 8 K C 2.262 178.859 176.600 -0.005 0.000 1.048 8 K CA 3.332 59.623 56.287 0.005 0.000 0.929 8 K CB -0.428 32.067 32.500 -0.009 0.000 0.713 8 K HN -0.481 7.670 8.250 -0.004 0.096 0.439 9 K N -1.202 119.167 120.400 -0.052 0.000 2.097 9 K HA -0.209 4.044 4.320 -0.113 0.000 0.205 9 K C 2.610 179.177 176.600 -0.055 0.000 1.050 9 K CA 2.728 58.947 56.287 -0.113 0.000 0.938 9 K CB -0.192 32.191 32.500 -0.195 0.000 0.718 9 K HN -0.337 7.876 8.250 -0.063 0.000 0.442 10 I N 0.720 121.293 120.570 0.004 0.000 2.113 10 I HA -0.456 3.850 4.170 0.227 0.000 0.238 10 I C 1.914 178.160 176.117 0.216 0.000 1.070 10 I CA 4.396 65.793 61.300 0.161 0.000 1.332 10 I CB 0.197 38.286 38.000 0.149 0.000 1.044 10 I HN -0.028 8.068 8.210 -0.028 0.097 0.402 11 V N -0.452 119.551 119.914 0.147 0.000 2.358 11 V HA -0.545 3.653 4.120 0.129 0.000 0.246 11 V C 1.775 177.934 176.094 0.108 0.000 1.047 11 V CA 3.963 66.335 62.300 0.120 0.000 1.035 11 V CB -0.819 31.056 31.823 0.086 0.000 0.658 11 V HN 0.383 8.533 8.190 0.118 0.110 0.452 12 N N -0.137 118.623 118.700 0.099 0.000 2.069 12 N HA -0.385 4.407 4.740 0.087 0.000 0.191 12 N C 2.549 178.177 175.510 0.197 0.000 1.031 12 N CA 3.547 56.664 53.050 0.112 0.000 0.852 12 N CB -0.047 38.486 38.487 0.078 0.000 1.018 12 N HN 0.345 8.658 8.380 0.077 0.113 0.423 13 H N 0.685 119.788 119.070 0.055 0.000 2.363 13 H HA -0.042 4.537 4.556 0.038 0.000 0.301 13 H C 2.606 177.956 175.328 0.037 0.000 1.074 13 H CA 2.020 58.103 56.048 0.058 0.000 1.354 13 H CB 0.139 29.961 29.762 0.099 0.000 1.397 13 H HN -0.149 8.278 8.280 0.244 0.000 0.516 14 L N -1.777 119.546 121.223 0.167 0.000 1.956 14 L HA -0.360 3.946 4.340 -0.057 0.000 0.216 14 L C 1.475 178.332 176.870 -0.023 0.000 1.073 14 L CA 3.514 58.364 54.840 0.017 0.000 0.762 14 L CB -0.458 41.613 42.059 0.021 0.000 0.889 14 L HN 0.185 8.446 8.230 0.228 0.106 0.433 15 R N -5.651 114.862 120.500 0.022 0.000 2.200 15 R HA -0.291 4.055 4.340 0.009 0.000 0.234 15 R C 2.026 178.330 176.300 0.007 0.000 1.127 15 R CA 2.287 58.398 56.100 0.018 0.000 0.989 15 R CB -0.222 30.101 30.300 0.040 0.000 0.869 15 R HN 0.301 8.495 8.270 0.053 0.108 0.459 16 S N -0.269 115.435 115.700 0.007 0.000 2.371 16 S HA -0.030 4.435 4.470 -0.009 0.000 0.221 16 S C 1.229 175.796 174.600 -0.055 0.000 1.036 16 S CA 1.985 60.175 58.200 -0.018 0.000 0.965 16 S CB 0.683 63.873 63.200 -0.017 0.000 0.845 16 S HN -0.549 7.619 8.310 0.030 0.160 0.475 17 R N -0.820 119.633 120.500 -0.079 0.000 2.721 17 R HA 0.214 4.503 4.340 -0.084 0.000 0.296 17 R C -1.662 174.578 176.300 -0.100 0.000 1.174 17 R CA -0.635 55.408 56.100 -0.095 0.000 1.129 17 R CB 0.083 30.312 30.300 -0.118 0.000 1.316 17 R HN 0.315 8.432 8.270 -0.067 0.113 0.571 18 L N 1.301 122.475 121.223 -0.082 0.000 2.295 18 L HA 0.537 4.796 4.340 -0.135 0.000 0.285 18 L C -2.351 174.518 176.870 -0.001 0.000 1.035 18 L CA -1.204 53.592 54.840 -0.074 0.000 0.806 18 L CB 2.255 44.274 42.059 -0.066 0.000 1.214 18 L HN -0.606 7.499 8.230 -0.059 0.089 0.426 19 A N 5.359 128.212 122.820 0.055 0.000 2.566 19 A HA 0.536 5.006 4.320 -0.040 -0.174 0.297 19 A C -2.564 175.110 177.584 0.151 0.000 1.059 19 A CA -0.673 51.380 52.037 0.026 0.000 0.691 19 A CB 3.585 22.566 19.000 -0.031 0.000 1.282 19 A HN 0.676 8.877 8.150 0.086 0.000 0.401 20 F N -1.690 118.312 119.950 0.087 0.000 2.551 20 F HA 0.811 5.560 4.527 0.110 -0.157 0.316 20 F C -1.934 173.925 175.800 0.098 0.000 1.089 20 F CA -3.061 54.999 58.000 0.101 0.000 0.915 20 F CB 3.568 42.631 39.000 0.104 0.000 1.186 20 F HN 0.592 8.543 8.300 -0.400 0.109 0.456 21 E N 2.765 123.157 120.200 0.320 0.000 2.197 21 E HA 0.604 5.227 4.350 0.111 -0.206 0.281 21 E C -1.418 175.422 176.600 0.399 0.000 0.995 21 E CA -1.482 55.054 56.400 0.227 0.000 0.808 21 E CB 1.428 31.202 29.700 0.124 0.000 1.093 21 E HN 0.290 8.712 8.360 0.327 0.135 0.394 22 Y N 5.767 126.170 120.300 0.172 0.000 2.331 22 Y HA 0.294 4.913 4.550 0.115 0.000 0.326 22 Y C -1.190 174.707 175.900 -0.005 0.000 1.020 22 Y CA -0.962 57.218 58.100 0.132 0.000 1.136 22 Y CB 2.513 41.152 38.460 0.299 0.000 1.157 22 Y HN 0.678 9.022 8.280 0.291 0.110 0.444 23 N N 8.945 127.372 118.700 -0.453 0.000 2.714 23 N HA -0.386 4.149 4.740 -0.343 0.000 0.250 23 N C -0.093 175.271 175.510 -0.244 0.000 1.117 23 N CA 0.450 53.214 53.050 -0.476 0.000 0.719 23 N CB -0.879 37.099 38.487 -0.848 0.000 1.081 23 N HN 0.994 9.210 8.380 -0.275 0.000 0.557 24 G N -5.595 103.133 108.800 -0.119 0.000 2.241 24 G HA2 -0.467 3.474 3.960 -0.032 0.000 0.244 24 G HA3 -0.467 3.451 3.960 -0.069 0.000 0.244 24 G C -0.391 174.492 174.900 -0.029 0.000 0.998 24 G CA 0.088 45.153 45.100 -0.059 0.000 0.621 24 G HN 0.354 8.566 8.290 -0.085 0.027 0.519 25 Q N 0.072 119.861 119.800 -0.018 0.000 2.317 25 Q HA 0.017 4.359 4.340 0.003 0.000 0.229 25 Q C -0.892 175.124 176.000 0.026 0.000 0.984 25 Q CA -0.566 55.254 55.803 0.028 0.000 0.911 25 Q CB 1.413 30.211 28.738 0.101 0.000 1.217 25 Q HN -0.178 7.862 8.270 -0.066 0.189 0.501 26 L N 1.543 122.748 121.223 -0.031 0.000 2.294 26 L HA 0.317 4.712 4.340 -0.106 -0.119 0.283 26 L C -0.472 176.262 176.870 -0.227 0.000 1.015 26 L CA -0.745 54.031 54.840 -0.106 0.000 0.831 26 L CB 1.278 43.294 42.059 -0.070 0.000 1.217 26 L HN 0.231 8.446 8.230 -0.025 0.000 0.420 27 I N 6.603 126.861 120.570 -0.520 0.000 2.310 27 I HA 0.132 4.058 4.170 -0.407 0.000 0.287 27 I C -1.545 174.217 176.117 -0.593 0.000 1.073 27 I CA -1.099 59.765 61.300 -0.727 0.000 1.216 27 I CB 0.085 37.208 38.000 -1.461 0.000 1.415 27 I HN 1.114 8.846 8.210 -0.622 0.105 0.480 28 K N 7.218 127.453 120.400 -0.276 0.000 2.276 28 K HA 0.267 4.631 4.320 -0.136 -0.126 0.285 28 K C -0.647 175.900 176.600 -0.090 0.000 1.062 28 K CA -0.882 55.316 56.287 -0.148 0.000 0.918 28 K CB 0.267 32.711 32.500 -0.094 0.000 1.055 28 K HN -0.145 7.972 8.250 -0.222 0.000 0.477 29 I N 2.844 123.396 120.570 -0.029 0.000 2.428 29 I HA 0.175 4.351 4.170 0.009 0.000 0.296 29 I C -1.659 174.464 176.117 0.011 0.000 0.985 29 I CA -0.566 60.746 61.300 0.019 0.000 1.260 29 I CB 0.879 38.932 38.000 0.089 0.000 1.389 29 I HN 0.132 8.333 8.210 -0.015 0.000 0.484 30 L N 0.997 122.229 121.223 0.015 0.000 2.250 30 L HA 0.550 5.147 4.340 0.011 -0.250 0.252 30 L C 1.366 178.251 176.870 0.026 0.000 1.054 30 L CA -1.564 53.284 54.840 0.013 0.000 0.856 30 L CB 3.371 45.432 42.059 0.003 0.000 1.443 30 L HN -0.065 8.177 8.230 0.019 0.000 0.427 31 S N 1.952 117.667 115.700 0.026 0.000 2.440 31 S HA -0.291 4.381 4.470 0.038 -0.179 0.238 31 S C 2.189 176.808 174.600 0.030 0.000 1.010 31 S CA 3.173 61.392 58.200 0.032 0.000 0.972 31 S CB -0.030 63.189 63.200 0.031 0.000 0.774 31 S HN 0.621 8.944 8.310 0.022 0.000 0.501 32 K N 1.703 122.118 120.400 0.024 0.000 2.152 32 K HA -0.236 4.096 4.320 0.020 0.000 0.206 32 K C 0.781 177.397 176.600 0.027 0.000 1.048 32 K CA 2.516 58.815 56.287 0.021 0.000 0.933 32 K CB -0.427 32.081 32.500 0.013 0.000 0.721 32 K HN 0.189 8.402 8.250 0.020 0.049 0.447 33 N N -3.994 114.726 118.700 0.034 0.000 2.241 33 N HA 0.199 4.964 4.740 0.041 0.000 0.238 33 N C -2.231 173.315 175.510 0.059 0.000 1.244 33 N CA -0.804 52.273 53.050 0.044 0.000 0.880 33 N CB 1.975 40.487 38.487 0.042 0.000 1.179 33 N HN -0.458 7.922 8.380 0.033 0.020 0.513 34 I N 0.266 120.870 120.570 0.057 0.000 2.478 34 I HA 0.647 5.129 4.170 0.082 -0.263 0.287 34 I C -1.761 174.391 176.117 0.059 0.000 1.042 34 I CA -0.824 60.516 61.300 0.066 0.000 1.067 34 I CB 3.824 41.861 38.000 0.062 0.000 1.233 34 I HN -0.682 7.408 8.210 0.047 0.148 0.431 35 V N 8.229 128.183 119.914 0.067 0.000 2.483 35 V HA 0.295 4.441 4.120 0.044 0.000 0.297 35 V C -1.552 174.560 176.094 0.030 0.000 1.027 35 V CA -1.706 60.626 62.300 0.053 0.000 0.855 35 V CB 3.041 34.904 31.823 0.066 0.000 0.995 35 V HN 0.623 8.756 8.190 0.086 0.109 0.424 36 A N 8.685 131.511 122.820 0.009 0.000 2.522 36 A HA -0.017 4.369 4.320 -0.045 -0.093 0.256 36 A C -0.936 176.594 177.584 -0.090 0.000 1.086 36 A CA 0.464 52.480 52.037 -0.034 0.000 0.763 36 A CB -0.568 18.425 19.000 -0.012 0.000 1.024 36 A HN 0.444 8.606 8.150 0.020 0.000 0.502 37 V N -0.650 119.129 119.914 -0.226 0.000 3.103 37 V HA 0.296 4.303 4.120 -0.189 0.000 0.318 37 V C -0.030 175.803 176.094 -0.435 0.000 1.114 37 V CA -2.742 59.344 62.300 -0.355 0.000 1.020 37 V CB 1.973 33.433 31.823 -0.605 0.000 1.085 37 V HN 0.231 8.139 8.190 -0.264 0.124 0.446 38 G N 0.519 109.102 108.800 -0.361 0.000 2.596 38 G HA2 -0.457 3.377 3.960 -0.211 0.000 0.258 38 G HA3 -0.457 3.423 3.960 -0.328 -0.117 0.258 38 G C 0.757 175.575 174.900 -0.137 0.000 1.207 38 G CA 1.258 46.199 45.100 -0.265 0.000 0.954 38 G HN 0.212 8.332 8.290 -0.282 0.000 0.551 39 S N 5.033 120.668 115.700 -0.108 0.000 2.400 39 S HA -0.282 4.160 4.470 -0.046 0.000 0.232 39 S C 1.853 176.430 174.600 -0.040 0.000 1.025 39 S CA 3.432 61.600 58.200 -0.053 0.000 0.993 39 S CB -0.216 62.970 63.200 -0.024 0.000 0.808 39 S HN 0.136 8.369 8.310 -0.128 0.000 0.478 40 L N -0.662 120.531 121.223 -0.050 0.000 2.131 40 L HA -0.151 4.182 4.340 -0.011 0.000 0.210 40 L C 2.016 178.870 176.870 -0.027 0.000 1.092 40 L CA 2.285 57.107 54.840 -0.029 0.000 0.759 40 L CB -1.428 40.612 42.059 -0.031 0.000 0.903 40 L HN -0.489 7.676 8.230 -0.078 0.019 0.435 41 R N -2.622 117.852 120.500 -0.043 0.000 2.093 41 R HA -0.162 4.175 4.340 -0.004 0.000 0.224 41 R C 2.511 178.799 176.300 -0.020 0.000 1.101 41 R CA 1.734 57.821 56.100 -0.022 0.000 0.979 41 R CB -0.210 30.077 30.300 -0.023 0.000 0.877 41 R HN -0.495 7.603 8.270 -0.072 0.129 0.441 42 R N -1.401 119.080 120.500 -0.032 0.000 2.073 42 R HA -0.203 4.117 4.340 -0.032 0.000 0.229 42 R C 0.465 176.752 176.300 -0.023 0.000 1.120 42 R CA 1.638 57.719 56.100 -0.031 0.000 0.967 42 R CB 0.638 30.917 30.300 -0.035 0.000 0.862 42 R HN -0.247 7.909 8.270 -0.043 0.088 0.436 43 E N -3.536 116.653 120.200 -0.018 0.000 2.313 43 E HA -0.348 3.996 4.350 -0.009 0.000 0.190 43 E C -1.545 175.047 176.600 -0.013 0.000 1.406 43 E CA 0.897 57.290 56.400 -0.013 0.000 0.668 43 E CB -2.163 27.531 29.700 -0.011 0.000 1.135 43 E HN 0.164 8.397 8.360 -0.020 0.115 0.375 44 E N -2.697 117.496 120.200 -0.011 0.000 2.254 44 E HA 0.145 4.487 4.350 -0.014 0.000 0.258 44 E C -0.592 176.003 176.600 -0.007 0.000 1.033 44 E CA -1.475 54.919 56.400 -0.011 0.000 0.893 44 E CB 1.010 30.703 29.700 -0.011 0.000 1.204 44 E HN -0.296 8.058 8.360 -0.009 0.000 0.425 45 K N -1.266 119.129 120.400 -0.008 0.000 2.009 45 K HA -0.218 4.096 4.320 -0.011 0.000 0.210 45 K C -0.651 175.947 176.600 -0.004 0.000 1.049 45 K CA 2.264 58.546 56.287 -0.008 0.000 0.929 45 K CB 0.386 32.881 32.500 -0.009 0.000 0.714 45 K HN 0.421 8.665 8.250 -0.010 0.000 0.440 46 M N -3.118 116.483 119.600 0.001 0.000 2.393 46 M HA 0.505 5.161 4.480 0.012 -0.169 0.299 46 M C -1.092 175.221 176.300 0.023 0.000 1.103 46 M CA -1.096 54.211 55.300 0.012 0.000 0.910 46 M CB 3.542 36.148 32.600 0.009 0.000 1.659 46 M HN -0.546 7.744 8.290 -0.000 0.000 0.445 47 L N -3.731 117.521 121.223 0.049 0.000 2.350 47 L HA 0.638 4.997 4.340 0.032 0.000 0.260 47 L C -1.745 175.191 176.870 0.109 0.000 1.015 47 L CA -1.395 53.481 54.840 0.061 0.000 0.821 47 L CB 2.039 44.136 42.059 0.064 0.000 1.370 47 L HN 0.420 8.684 8.230 0.058 0.000 0.416 48 N N -0.355 118.379 118.700 0.056 0.000 2.591 48 N HA -0.039 4.790 4.740 0.148 0.000 0.200 48 N C -1.185 174.218 175.510 -0.179 0.000 1.040 48 N CA 2.106 55.178 53.050 0.036 0.000 0.911 48 N CB 2.362 40.845 38.487 -0.007 0.000 1.259 48 N HN 0.541 8.931 8.380 0.017 0.000 0.438 49 D N -4.552 115.730 120.400 -0.196 0.000 2.299 49 D HA 0.468 4.802 4.640 -0.658 -0.089 0.243 49 D C -1.291 174.894 176.300 -0.191 0.000 0.982 49 D CA -1.450 52.356 54.000 -0.324 0.000 0.924 49 D CB 2.905 43.597 40.800 -0.180 0.000 1.238 49 D HN -0.669 7.642 8.370 -0.099 0.000 0.484 50 V N -7.265 112.540 119.914 -0.181 0.000 2.760 50 V HA 0.430 4.504 4.120 -0.077 0.000 0.309 50 V C -1.483 174.551 176.094 -0.099 0.000 1.077 50 V CA -2.096 60.163 62.300 -0.068 0.000 0.910 50 V CB 3.085 34.957 31.823 0.083 0.000 1.008 50 V HN 0.353 8.389 8.190 -0.256 0.000 0.424 51 D N 3.510 123.776 120.400 -0.223 0.000 2.272 51 D HA 0.800 5.549 4.640 -0.201 -0.229 0.247 51 D C -0.898 175.197 176.300 -0.341 0.000 0.990 51 D CA -1.500 52.258 54.000 -0.404 0.000 0.931 51 D CB 3.378 43.533 40.800 -1.075 0.000 1.195 51 D HN -0.019 8.209 8.370 -0.236 0.000 0.477 52 L N -0.445 120.649 121.223 -0.215 0.000 2.376 52 L HA 0.367 4.819 4.340 -0.090 -0.166 0.258 52 L C -2.130 174.818 176.870 0.129 0.000 1.013 52 L CA -0.868 53.947 54.840 -0.042 0.000 0.822 52 L CB 5.145 47.234 42.059 0.050 0.000 1.388 52 L HN 0.964 9.007 8.230 -0.124 0.112 0.413 53 L N 1.178 122.490 121.223 0.147 0.000 2.316 53 L HA 0.401 4.985 4.340 0.407 0.000 0.280 53 L C -2.080 174.902 176.870 0.186 0.000 1.006 53 L CA -0.697 54.295 54.840 0.254 0.000 0.836 53 L CB 3.126 45.323 42.059 0.230 0.000 1.221 53 L HN 0.477 8.651 8.230 0.083 0.106 0.418 54 I N 7.871 128.558 120.570 0.195 0.000 2.339 54 I HA 0.629 5.038 4.170 0.116 -0.171 0.290 54 I C -2.352 173.828 176.117 0.105 0.000 0.994 54 I CA -2.815 58.565 61.300 0.132 0.000 1.191 54 I CB 3.182 41.254 38.000 0.121 0.000 1.343 54 I HN 0.762 9.123 8.210 0.252 0.000 0.458 55 I N 7.944 128.564 120.570 0.082 0.000 2.337 55 I HA 0.558 4.954 4.170 0.047 -0.198 0.285 55 I C -0.769 175.370 176.117 0.036 0.000 1.041 55 I CA -2.987 58.345 61.300 0.053 0.000 1.199 55 I CB -1.326 36.703 38.000 0.048 0.000 1.370 55 I HN 0.121 8.380 8.210 0.082 0.000 0.470 56 V N 8.027 127.953 119.914 0.019 0.000 2.686 56 V HA 0.155 4.295 4.120 0.033 0.000 0.295 56 V C -0.655 175.437 176.094 -0.003 0.000 1.055 56 V CA -2.057 60.250 62.300 0.012 0.000 1.050 56 V CB -0.027 31.790 31.823 -0.009 0.000 0.984 56 V HN 0.815 9.012 8.190 0.011 0.000 0.482 57 P HA 0.156 4.571 4.420 -0.009 0.000 0.257 57 P C -1.298 175.994 177.300 -0.014 0.000 1.325 57 P CA -0.401 62.694 63.100 -0.008 0.000 0.850 57 P CB 0.346 32.043 31.700 -0.004 0.000 1.324 58 E N -3.055 117.133 120.200 -0.019 0.000 2.649 58 E HA -0.029 4.312 4.350 -0.016 0.000 0.308 58 E C -1.022 175.564 176.600 -0.024 0.000 1.017 58 E CA -0.251 56.138 56.400 -0.018 0.000 0.848 58 E CB 2.494 32.188 29.700 -0.010 0.000 1.240 58 E HN -0.960 7.293 8.360 -0.021 0.095 0.421 59 K N 5.228 125.614 120.400 -0.023 0.000 2.113 59 K HA -0.368 3.923 4.320 -0.049 0.000 0.208 59 K C 1.427 178.017 176.600 -0.017 0.000 1.047 59 K CA 3.639 59.908 56.287 -0.029 0.000 0.928 59 K CB 0.057 32.546 32.500 -0.019 0.000 0.716 59 K HN 0.360 8.600 8.250 -0.018 0.000 0.446 60 K N -1.330 119.075 120.400 0.008 0.000 2.002 60 K HA -0.231 4.118 4.320 0.048 0.000 0.209 60 K C 2.115 178.738 176.600 0.039 0.000 1.048 60 K CA 2.887 59.201 56.287 0.044 0.000 0.930 60 K CB -0.798 31.747 32.500 0.074 0.000 0.714 60 K HN -0.148 8.092 8.250 0.009 0.016 0.438 61 L N -1.596 119.617 121.223 -0.017 0.000 2.127 61 L HA -0.263 3.984 4.340 -0.154 0.000 0.211 61 L C 0.692 177.520 176.870 -0.070 0.000 1.089 61 L CA 2.646 57.435 54.840 -0.084 0.000 0.757 61 L CB -0.577 41.425 42.059 -0.093 0.000 0.899 61 L HN -0.387 7.833 8.230 -0.017 0.000 0.434 62 L N -3.568 117.621 121.223 -0.056 0.000 2.012 62 L HA -0.445 3.847 4.340 -0.081 0.000 0.210 62 L C 2.657 179.465 176.870 -0.104 0.000 1.073 62 L CA 2.689 57.482 54.840 -0.078 0.000 0.748 62 L CB -0.132 41.885 42.059 -0.071 0.000 0.891 62 L HN 0.151 8.137 8.230 -0.042 0.219 0.431 63 K N -3.288 117.061 120.400 -0.085 0.000 2.366 63 K HA -0.190 4.045 4.320 -0.141 0.000 0.198 63 K C 1.123 177.613 176.600 -0.183 0.000 1.044 63 K CA 2.285 58.495 56.287 -0.129 0.000 0.973 63 K CB 0.170 32.601 32.500 -0.114 0.000 0.767 63 K HN -0.341 7.787 8.250 -0.053 0.090 0.475 64 H N -2.456 116.551 119.070 -0.105 0.000 2.492 64 H HA 0.183 4.703 4.556 -0.061 0.000 0.264 64 H C -0.270 174.861 175.328 -0.328 0.000 1.150 64 H CA -0.664 55.334 56.048 -0.084 0.000 0.962 64 H CB 0.569 30.412 29.762 0.135 0.000 1.766 64 H HN -0.410 7.691 8.280 -0.000 0.179 0.589 65 V N -0.931 118.739 119.914 -0.406 0.000 3.471 65 V HA -0.080 3.081 4.120 -1.598 0.000 0.258 65 V C -0.694 174.613 176.094 -1.312 0.000 1.192 65 V CA 0.749 62.441 62.300 -1.012 0.000 1.116 65 V CB 1.197 32.769 31.823 -0.418 0.000 0.792 65 V HN -0.654 7.304 8.190 -0.276 0.068 0.459 66 L N -7.036 113.827 121.223 -0.600 0.000 3.154 66 L HA 0.556 4.663 4.340 -0.388 0.000 0.266 66 L C -0.826 175.929 176.870 -0.191 0.000 1.300 66 L CA -2.930 51.694 54.840 -0.362 0.000 1.028 66 L CB -1.687 40.244 42.059 -0.213 0.000 1.412 66 L HN -0.574 7.411 8.230 -0.408 0.000 0.564 67 P HA 0.001 4.449 4.420 0.046 0.000 0.211 67 P C 0.191 177.542 177.300 0.085 0.000 1.191 67 P CA 1.498 64.642 63.100 0.073 0.000 0.909 67 P CB 0.626 32.485 31.700 0.264 0.000 0.770 68 N N -1.597 117.214 118.700 0.184 0.000 2.761 68 N HA 0.200 4.990 4.740 0.083 0.000 0.317 68 N C -1.455 174.180 175.510 0.210 0.000 1.546 68 N CA -0.729 52.416 53.050 0.158 0.000 1.015 68 N CB 0.486 39.068 38.487 0.159 0.000 1.343 68 N HN -0.302 8.262 8.380 0.307 0.000 0.504 69 I N 1.727 122.396 120.570 0.164 0.000 2.775 69 I HA -0.359 4.074 4.170 0.438 0.000 0.290 69 I C -0.525 175.742 176.117 0.250 0.000 1.203 69 I CA 1.325 62.777 61.300 0.253 0.000 1.433 69 I CB 0.013 38.083 38.000 0.117 0.000 1.354 69 I HN -0.036 8.150 8.210 0.067 0.064 0.579 70 R N 6.873 127.655 120.500 0.470 0.000 2.692 70 R HA 0.295 4.972 4.340 0.561 0.000 0.269 70 R C -2.642 173.868 176.300 0.351 0.000 1.030 70 R CA -1.704 54.666 56.100 0.450 0.000 0.882 70 R CB 4.065 34.492 30.300 0.212 0.000 1.250 70 R HN 0.744 9.206 8.270 0.480 0.096 0.465 71 I N 0.715 121.438 120.570 0.255 0.000 2.740 71 I HA 0.628 4.914 4.170 -0.103 -0.177 0.303 71 I C -0.231 175.893 176.117 0.012 0.000 1.044 71 I CA -1.808 59.470 61.300 -0.036 0.000 1.064 71 I CB 3.066 40.901 38.000 -0.275 0.000 1.249 71 I HN 0.396 8.824 8.210 0.363 0.000 0.433 72 K N 5.122 125.507 120.400 -0.025 0.000 2.020 72 K HA -0.277 4.046 4.320 0.005 0.000 0.212 72 K C 0.563 177.176 176.600 0.021 0.000 1.050 72 K CA 2.684 58.969 56.287 -0.004 0.000 0.929 72 K CB 0.209 32.693 32.500 -0.027 0.000 0.714 72 K HN 0.116 8.328 8.250 -0.063 0.000 0.443 73 G N -3.417 105.399 108.800 0.028 0.000 2.633 73 G HA2 0.104 4.098 3.960 0.057 0.000 0.198 73 G HA3 0.104 4.110 3.960 0.078 0.000 0.198 73 G C -0.637 174.305 174.900 0.070 0.000 1.198 73 G CA -0.257 44.879 45.100 0.060 0.000 0.685 73 G HN 0.032 8.328 8.290 0.009 0.000 0.868 74 L N -0.195 121.048 121.223 0.032 0.000 2.475 74 L HA 0.079 4.451 4.340 0.054 0.000 0.253 74 L C -2.046 174.792 176.870 -0.052 0.000 1.198 74 L CA 0.086 54.891 54.840 -0.057 0.000 0.814 74 L CB 1.707 43.550 42.059 -0.359 0.000 1.134 74 L HN -0.602 7.637 8.230 0.014 0.000 0.478 75 S N -1.072 114.591 115.700 -0.061 0.000 2.739 75 S HA 0.252 4.869 4.470 0.245 0.000 0.306 75 S C -1.530 173.211 174.600 0.235 0.000 1.115 75 S CA -0.798 57.475 58.200 0.122 0.000 0.985 75 S CB 1.476 64.719 63.200 0.073 0.000 1.133 75 S HN 0.024 8.235 8.310 -0.165 0.000 0.541 76 F N -4.152 115.740 119.950 -0.095 0.000 2.952 76 F HA 0.542 5.152 4.527 -0.048 -0.112 0.329 76 F C -2.786 172.991 175.800 -0.038 0.000 1.137 76 F CA -1.620 56.338 58.000 -0.070 0.000 0.889 76 F CB 2.743 41.683 39.000 -0.100 0.000 1.335 76 F HN -0.124 8.294 8.300 0.196 0.000 0.449 77 S N -0.461 115.143 115.700 -0.159 0.000 2.521 77 S HA 0.388 4.601 4.470 -0.429 0.000 0.295 77 S C -1.195 173.210 174.600 -0.326 0.000 1.098 77 S CA -1.352 56.666 58.200 -0.303 0.000 0.999 77 S CB 2.921 66.034 63.200 -0.145 0.000 1.034 77 S HN 0.800 9.034 8.310 0.069 0.118 0.483 78 V N 2.544 122.256 119.914 -0.338 0.000 2.384 78 V HA 0.000 4.002 4.120 -0.197 0.000 0.287 78 V C -0.670 175.294 176.094 -0.217 0.000 1.020 78 V CA -0.476 61.682 62.300 -0.237 0.000 0.850 78 V CB 0.920 32.630 31.823 -0.189 0.000 0.987 78 V HN 0.305 8.280 8.190 -0.358 0.000 0.436 79 K N 8.187 128.456 120.400 -0.217 0.000 2.292 79 K HA 0.376 4.604 4.320 -0.153 0.000 0.257 79 K C -1.848 174.677 176.600 -0.126 0.000 0.940 79 K CA -2.042 54.141 56.287 -0.174 0.000 0.811 79 K CB 2.267 34.647 32.500 -0.201 0.000 1.120 79 K HN 0.410 8.428 8.250 -0.231 0.093 0.428 80 V N 2.711 122.560 119.914 -0.109 0.000 2.539 80 V HA -0.017 4.044 4.120 -0.099 0.000 0.292 80 V C -0.579 175.462 176.094 -0.089 0.000 1.045 80 V CA -0.436 61.803 62.300 -0.101 0.000 0.945 80 V CB 1.746 33.503 31.823 -0.110 0.000 0.993 80 V HN 0.218 8.343 8.190 -0.108 0.000 0.464 81 C N 8.074 127.316 119.300 -0.096 0.000 2.701 81 C HA 0.286 4.697 4.460 -0.081 0.000 0.336 81 C C -1.121 173.793 174.990 -0.126 0.000 1.123 81 C CA -1.190 57.770 59.018 -0.096 0.000 1.326 81 C CB 3.762 31.453 27.740 -0.083 0.000 1.833 81 C HN 0.598 8.764 8.230 -0.106 0.000 0.473 82 G N 1.290 110.024 108.800 -0.109 0.000 2.647 82 G HA2 -0.278 3.611 3.960 -0.118 0.000 0.234 82 G HA3 -0.278 3.626 3.960 -0.093 0.000 0.234 82 G C -1.313 173.487 174.900 -0.166 0.000 1.252 82 G CA 0.880 45.909 45.100 -0.118 0.000 0.846 82 G HN 0.232 8.469 8.290 -0.088 0.000 0.589 83 E N 2.354 122.447 120.200 -0.178 0.000 2.689 83 E HA -0.475 3.744 4.350 -0.218 0.000 0.165 83 E C -0.383 175.978 176.600 -0.398 0.000 1.609 83 E CA 0.564 56.818 56.400 -0.244 0.000 0.674 83 E CB -0.231 29.343 29.700 -0.210 0.000 1.103 83 E HN 0.121 8.394 8.360 -0.146 0.000 0.373 84 R N -4.974 115.300 120.500 -0.378 0.000 3.424 84 R HA -0.449 3.821 4.340 -0.308 -0.116 0.247 84 R C -1.121 174.758 176.300 -0.702 0.000 1.000 84 R CA 1.713 57.526 56.100 -0.479 0.000 0.672 84 R CB -2.325 27.661 30.300 -0.523 0.000 1.042 84 R HN 0.309 8.409 8.270 -0.283 0.000 0.470 85 K N -0.425 119.702 120.400 -0.455 0.000 2.263 85 K HA 0.221 4.242 4.320 -0.500 0.000 0.272 85 K C -2.127 174.388 176.600 -0.143 0.000 1.033 85 K CA -0.472 55.606 56.287 -0.348 0.000 0.884 85 K CB 1.536 33.889 32.500 -0.244 0.000 1.107 85 K HN -0.402 7.616 8.250 -0.335 0.031 0.460 86 C N 4.995 124.285 119.300 -0.018 0.000 2.446 86 C HA 0.399 4.977 4.460 -0.037 -0.140 0.329 86 C C -2.332 172.701 174.990 0.072 0.000 1.166 86 C CA -1.674 57.356 59.018 0.020 0.000 1.341 86 C CB 2.671 30.439 27.740 0.048 0.000 1.970 86 C HN 0.649 8.916 8.230 0.061 0.000 0.452 87 V N 8.482 128.383 119.914 -0.022 0.000 2.378 87 V HA 0.351 4.497 4.120 0.043 0.000 0.288 87 V C -1.591 174.307 176.094 -0.326 0.000 1.016 87 V CA -0.389 61.866 62.300 -0.076 0.000 0.840 87 V CB 1.093 32.885 31.823 -0.052 0.000 0.994 87 V HN 0.505 8.656 8.190 -0.065 0.000 0.431 88 L N 2.198 123.237 121.223 -0.306 0.000 2.393 88 L HA 0.914 4.959 4.340 -0.667 -0.104 0.260 88 L C -2.044 174.681 176.870 -0.243 0.000 1.002 88 L CA -1.233 53.371 54.840 -0.393 0.000 0.818 88 L CB 3.576 45.616 42.059 -0.031 0.000 1.369 88 L HN 0.696 8.876 8.230 -0.084 0.000 0.412 89 F N -2.123 117.892 119.950 0.108 0.000 2.563 89 F HA 0.890 5.611 4.527 0.102 -0.134 0.316 89 F C -0.370 175.510 175.800 0.134 0.000 1.076 89 F CA -2.785 55.278 58.000 0.104 0.000 0.921 89 F CB 3.882 42.925 39.000 0.071 0.000 1.209 89 F HN 0.262 8.403 8.300 -0.265 0.000 0.462 90 I N -4.647 116.097 120.570 0.289 0.000 2.562 90 I HA 0.707 5.072 4.170 0.132 -0.116 0.301 90 I C -1.745 174.339 176.117 -0.054 0.000 1.003 90 I CA -2.167 59.156 61.300 0.037 0.000 1.127 90 I CB 3.213 41.061 38.000 -0.254 0.000 1.304 90 I HN 0.592 9.011 8.210 0.348 0.000 0.446 91 E N 4.980 125.068 120.200 -0.186 0.000 2.241 91 E HA 0.504 5.087 4.350 0.074 -0.189 0.263 91 E C -1.662 174.879 176.600 -0.097 0.000 0.882 91 E CA -1.062 55.304 56.400 -0.056 0.000 0.769 91 E CB 4.000 33.739 29.700 0.066 0.000 1.185 91 E HN 0.565 8.657 8.360 -0.192 0.153 0.415 92 W N 2.216 123.564 121.300 0.081 0.000 2.543 92 W HA 0.398 5.096 4.660 0.063 0.000 0.318 92 W C -0.198 176.345 176.519 0.040 0.000 1.002 92 W CA -3.508 53.870 57.345 0.054 0.000 1.302 92 W CB 0.483 29.962 29.460 0.031 0.000 1.299 92 W HN -0.329 8.165 8.180 0.524 0.000 0.424 93 E N 5.055 125.400 120.200 0.242 0.000 2.252 93 E HA -0.462 3.961 4.350 0.121 0.000 0.199 93 E C -0.088 176.591 176.600 0.130 0.000 1.352 93 E CA 0.791 57.282 56.400 0.151 0.000 0.682 93 E CB -0.355 29.416 29.700 0.119 0.000 1.142 93 E HN 0.394 8.885 8.360 0.218 0.000 0.367 94 K N -4.882 115.592 120.400 0.124 0.000 3.472 94 K HA -0.380 3.996 4.320 0.093 0.000 0.315 94 K C -1.512 175.162 176.600 0.123 0.000 1.320 94 K CA 1.191 57.539 56.287 0.103 0.000 0.962 94 K CB -0.554 31.990 32.500 0.074 0.000 1.251 94 K HN 0.268 8.592 8.250 0.123 0.000 0.443 95 K N -1.850 118.660 120.400 0.184 0.000 2.106 95 K HA 0.142 4.555 4.320 0.156 0.000 0.246 95 K C -1.627 175.127 176.600 0.255 0.000 0.987 95 K CA -0.319 56.100 56.287 0.221 0.000 0.904 95 K CB 1.767 34.431 32.500 0.272 0.000 1.071 95 K HN -0.786 7.404 8.250 0.221 0.194 0.453 96 T N 0.837 115.543 114.554 0.253 0.000 2.952 96 T HA 0.741 5.456 4.350 0.243 -0.219 0.305 96 T C -1.461 173.452 174.700 0.354 0.000 1.064 96 T CA -0.889 61.356 62.100 0.241 0.000 1.008 96 T CB 2.161 71.101 68.868 0.121 0.000 1.078 96 T HN -0.057 8.322 8.240 0.232 0.000 0.459 97 Y N 3.821 124.217 120.300 0.162 0.000 2.442 97 Y HA 0.185 4.802 4.550 0.111 0.000 0.344 97 Y C -2.310 173.683 175.900 0.154 0.000 0.976 97 Y CA -1.326 56.871 58.100 0.163 0.000 1.040 97 Y CB 4.528 43.151 38.460 0.271 0.000 1.228 97 Y HN 0.766 9.259 8.280 0.356 0.000 0.451 98 Q N 5.353 125.012 119.800 -0.235 0.000 2.314 98 Q HA 0.118 4.583 4.340 0.208 0.000 0.257 98 Q C -2.062 173.936 176.000 -0.004 0.000 0.975 98 Q CA -0.079 55.681 55.803 -0.072 0.000 0.933 98 Q CB 1.033 29.641 28.738 -0.217 0.000 1.195 98 Q HN 0.690 8.626 8.270 -0.556 0.000 0.426 99 L N 7.430 128.811 121.223 0.265 0.000 2.325 99 L HA 0.796 5.440 4.340 0.071 -0.261 0.281 99 L C -1.655 175.328 176.870 0.188 0.000 1.004 99 L CA -1.024 53.916 54.840 0.166 0.000 0.823 99 L CB 2.027 44.195 42.059 0.182 0.000 1.236 99 L HN 0.520 9.081 8.230 0.552 0.000 0.415 100 D N 4.403 124.896 120.400 0.156 0.000 2.373 100 D HA 0.354 5.158 4.640 0.273 0.000 0.227 100 D C -1.544 174.977 176.300 0.368 0.000 1.091 100 D CA -0.017 54.148 54.000 0.275 0.000 0.840 100 D CB 2.227 43.226 40.800 0.332 0.000 1.060 100 D HN 0.396 8.810 8.370 0.074 0.000 0.502 101 L N 5.005 126.465 121.223 0.394 0.000 2.334 101 L HA 0.805 5.662 4.340 0.449 -0.248 0.276 101 L C -1.688 175.544 176.870 0.603 0.000 1.014 101 L CA -0.950 54.151 54.840 0.435 0.000 0.815 101 L CB 3.402 45.602 42.059 0.237 0.000 1.268 101 L HN 0.802 9.121 8.230 0.301 0.092 0.428 102 F N 1.644 121.786 119.950 0.320 0.000 2.427 102 F HA 0.568 5.261 4.527 -0.059 -0.202 0.346 102 F C -0.354 175.471 175.800 0.040 0.000 1.120 102 F CA -2.920 55.115 58.000 0.058 0.000 1.033 102 F CB 2.907 41.855 39.000 -0.087 0.000 1.126 102 F HN 0.463 9.210 8.300 0.746 0.000 0.462 103 T N 4.392 118.948 114.554 0.005 0.000 2.891 103 T HA 0.346 4.854 4.350 0.035 -0.137 0.315 103 T C -0.999 173.658 174.700 -0.072 0.000 1.054 103 T CA -0.795 61.289 62.100 -0.027 0.000 0.958 103 T CB -0.374 68.447 68.868 -0.079 0.000 1.008 103 T HN 0.452 8.449 8.240 -0.156 0.149 0.521 104 A N 5.870 128.684 122.820 -0.011 0.000 2.387 104 A HA 0.545 4.802 4.320 -0.104 0.000 0.298 104 A C -2.638 174.922 177.584 -0.040 0.000 1.165 104 A CA -2.613 49.399 52.037 -0.041 0.000 0.814 104 A CB 2.666 21.677 19.000 0.018 0.000 1.357 104 A HN 0.647 8.824 8.150 0.044 0.000 0.443 105 L N -2.707 118.475 121.223 -0.068 0.000 2.431 105 L HA 0.732 5.232 4.340 -0.045 -0.187 0.260 105 L C 2.406 179.257 176.870 -0.032 0.000 1.098 105 L CA -1.367 53.438 54.840 -0.059 0.000 0.800 105 L CB 1.983 43.988 42.059 -0.090 0.000 1.210 105 L HN 0.068 8.240 8.230 -0.096 0.000 0.465 106 A N 1.357 124.163 122.820 -0.023 0.000 2.093 106 A HA -0.299 4.023 4.320 0.003 0.000 0.222 106 A C 1.091 178.663 177.584 -0.021 0.000 1.162 106 A CA 2.931 54.961 52.037 -0.011 0.000 0.655 106 A CB -0.145 18.848 19.000 -0.010 0.000 0.805 106 A HN 0.641 8.776 8.150 -0.025 0.000 0.461 107 E N -5.339 114.835 120.200 -0.044 0.000 2.340 107 E HA -0.054 4.265 4.350 -0.052 0.000 0.194 107 E C 0.354 176.905 176.600 -0.081 0.000 0.996 107 E CA 1.605 57.965 56.400 -0.065 0.000 0.869 107 E CB -0.172 29.477 29.700 -0.085 0.000 0.835 107 E HN 0.200 8.474 8.360 -0.053 0.054 0.493 108 E N -1.999 118.162 120.200 -0.066 0.000 2.445 108 E HA -0.019 4.276 4.350 -0.091 0.000 0.189 108 E C 0.750 177.387 176.600 0.061 0.000 1.069 108 E CA -0.433 55.944 56.400 -0.037 0.000 0.871 108 E CB -0.338 29.330 29.700 -0.053 0.000 0.991 108 E HN -0.165 8.035 8.360 -0.062 0.123 0.481 109 K N 1.270 121.701 120.400 0.052 0.000 2.044 109 K HA -0.305 4.082 4.320 0.111 0.000 0.210 109 K C -0.390 176.293 176.600 0.138 0.000 1.049 109 K CA 4.094 60.436 56.287 0.092 0.000 0.927 109 K CB -2.421 30.114 32.500 0.059 0.000 0.713 109 K HN -0.112 8.057 8.250 0.016 0.090 0.443 110 P HA -0.084 4.420 4.420 0.140 0.000 0.212 110 P C 1.184 178.667 177.300 0.305 0.000 1.180 110 P CA 2.657 65.863 63.100 0.176 0.000 0.902 110 P CB -0.561 31.221 31.700 0.137 0.000 0.778 111 Y N -1.430 118.923 120.300 0.088 0.000 2.298 111 Y HA -0.384 4.296 4.550 0.216 0.000 0.287 111 Y C 1.883 177.947 175.900 0.273 0.000 1.164 111 Y CA 2.131 60.337 58.100 0.178 0.000 1.229 111 Y CB -1.380 37.151 38.460 0.117 0.000 0.977 111 Y HN -0.084 8.471 8.280 0.459 0.000 0.538 112 A N -0.384 122.661 122.820 0.375 0.000 1.865 112 A HA -0.349 4.204 4.320 0.389 0.000 0.217 112 A C 1.745 179.557 177.584 0.379 0.000 1.191 112 A CA 3.320 55.576 52.037 0.364 0.000 0.623 112 A CB -0.962 18.219 19.000 0.302 0.000 0.826 112 A HN 0.217 8.527 8.150 0.322 0.033 0.444 113 I N -1.008 119.762 120.570 0.333 0.000 2.315 113 I HA -0.462 3.893 4.170 0.308 0.000 0.248 113 I C 1.358 177.679 176.117 0.339 0.000 1.117 113 I CA 3.689 65.170 61.300 0.302 0.000 1.404 113 I CB -0.015 38.121 38.000 0.226 0.000 1.071 113 I HN -0.678 7.711 8.210 0.299 0.000 0.419 114 F N 1.591 121.641 119.950 0.167 0.000 2.126 114 F HA -0.429 4.170 4.527 0.119 0.000 0.299 114 F C 1.879 177.755 175.800 0.125 0.000 1.096 114 F CA 3.015 61.083 58.000 0.113 0.000 1.255 114 F CB -0.133 38.867 39.000 -0.001 0.000 0.997 114 F HN -0.496 7.991 8.300 0.465 0.092 0.479 115 H N -0.664 118.503 119.070 0.161 0.000 2.363 115 H HA -0.295 4.243 4.556 -0.029 0.000 0.301 115 H C 2.398 177.749 175.328 0.039 0.000 1.074 115 H CA 3.970 60.064 56.048 0.077 0.000 1.354 115 H CB 0.551 30.433 29.762 0.201 0.000 1.397 115 H HN -0.150 8.405 8.280 0.459 0.000 0.516 116 F N -1.760 118.199 119.950 0.015 0.000 2.046 116 F HA -0.395 3.885 4.527 -0.412 0.000 0.297 116 F C 1.122 176.825 175.800 -0.162 0.000 1.123 116 F CA 2.830 60.665 58.000 -0.275 0.000 1.199 116 F CB 0.071 38.814 39.000 -0.428 0.000 0.972 116 F HN -0.270 8.198 8.300 0.279 0.000 0.474 117 T N -4.055 110.574 114.554 0.125 0.000 2.555 117 T HA -0.430 3.922 4.350 0.004 0.000 0.264 117 T C 1.347 176.030 174.700 -0.028 0.000 1.083 117 T CA 2.914 65.029 62.100 0.025 0.000 1.179 117 T CB 0.408 69.294 68.868 0.030 0.000 0.863 117 T HN -0.313 8.027 8.240 0.167 0.000 0.412 118 G N 1.359 110.101 108.800 -0.097 0.000 2.627 118 G HA2 -0.413 3.429 3.960 -0.197 0.000 0.312 118 G HA3 -0.413 3.457 3.960 -0.150 0.000 0.312 118 G C -2.037 172.810 174.900 -0.089 0.000 1.299 118 G CA 0.161 45.178 45.100 -0.139 0.000 0.989 118 G HN -0.627 7.591 8.290 -0.121 0.000 0.547 119 P HA 0.025 4.400 4.420 -0.074 0.000 0.280 119 P C 0.961 178.189 177.300 -0.120 0.000 1.278 119 P CA -0.367 62.688 63.100 -0.076 0.000 0.787 119 P CB 0.750 32.425 31.700 -0.042 0.000 1.163 120 V N -0.599 119.230 119.914 -0.140 0.000 2.453 120 V HA -0.497 3.450 4.120 -0.289 0.000 0.252 120 V C 1.807 177.836 176.094 -0.107 0.000 1.068 120 V CA 3.380 65.573 62.300 -0.177 0.000 1.070 120 V CB 0.104 31.849 31.823 -0.130 0.000 0.664 120 V HN 0.245 8.370 8.190 -0.108 0.000 0.461 121 S N 0.409 116.078 115.700 -0.051 0.000 2.378 121 S HA -0.361 4.101 4.470 -0.014 0.000 0.229 121 S C 1.795 176.412 174.600 0.027 0.000 1.052 121 S CA 3.613 61.809 58.200 -0.008 0.000 1.084 121 S CB -0.745 62.461 63.200 0.010 0.000 0.950 121 S HN -0.045 8.206 8.310 -0.049 0.030 0.440 122 Y N 1.950 122.170 120.300 -0.133 0.000 2.274 122 Y HA -0.239 4.266 4.550 -0.075 0.000 0.290 122 Y C 2.125 177.912 175.900 -0.189 0.000 1.145 122 Y CA 2.656 60.673 58.100 -0.139 0.000 1.203 122 Y CB -0.443 37.914 38.460 -0.172 0.000 0.984 122 Y HN -0.600 7.648 8.280 0.089 0.086 0.533 123 L N -0.725 120.352 121.223 -0.244 0.000 2.156 123 L HA -0.284 3.814 4.340 -0.404 0.000 0.208 123 L C 2.287 179.038 176.870 -0.198 0.000 1.095 123 L CA 2.336 56.993 54.840 -0.305 0.000 0.770 123 L CB -0.756 41.128 42.059 -0.291 0.000 0.914 123 L HN -0.277 7.730 8.230 -0.168 0.123 0.439 124 I N -0.544 119.948 120.570 -0.130 0.000 2.286 124 I HA -0.555 3.575 4.170 -0.067 0.000 0.245 124 I C 1.888 177.950 176.117 -0.091 0.000 1.104 124 I CA 3.983 65.235 61.300 -0.080 0.000 1.397 124 I CB -0.639 37.337 38.000 -0.041 0.000 1.072 124 I HN 0.597 8.505 8.210 -0.112 0.235 0.417 125 R N -0.195 120.248 120.500 -0.096 0.000 2.115 125 R HA -0.183 4.136 4.340 -0.034 0.000 0.226 125 R C 2.480 178.655 176.300 -0.208 0.000 1.100 125 R CA 2.935 58.990 56.100 -0.075 0.000 0.980 125 R CB -0.794 29.520 30.300 0.022 0.000 0.875 125 R HN 0.052 8.272 8.270 -0.083 0.000 0.445 126 I N 0.429 120.746 120.570 -0.421 0.000 2.353 126 I HA -0.428 3.017 4.170 -1.209 0.000 0.248 126 I C 1.819 177.637 176.117 -0.498 0.000 1.119 126 I CA 3.606 64.441 61.300 -0.774 0.000 1.417 126 I CB -0.275 37.222 38.000 -0.838 0.000 1.078 126 I HN 0.295 8.077 8.210 -0.389 0.194 0.421 127 R N 0.490 120.835 120.500 -0.258 0.000 2.075 127 R HA -0.383 3.902 4.340 -0.092 0.000 0.232 127 R C 2.259 178.516 176.300 -0.071 0.000 1.126 127 R CA 3.790 59.821 56.100 -0.115 0.000 0.963 127 R CB -0.185 30.086 30.300 -0.048 0.000 0.858 127 R HN 0.295 8.225 8.270 -0.241 0.196 0.435 128 A N -1.874 120.904 122.820 -0.070 0.000 1.929 128 A HA -0.152 4.167 4.320 -0.002 0.000 0.216 128 A C 1.825 179.409 177.584 -0.001 0.000 1.176 128 A CA 2.760 54.785 52.037 -0.020 0.000 0.628 128 A CB -0.863 18.133 19.000 -0.008 0.000 0.816 128 A HN 0.030 8.124 8.150 -0.093 0.000 0.444 129 A N -1.054 121.745 122.820 -0.035 0.000 1.902 129 A HA -0.243 4.157 4.320 0.134 0.000 0.217 129 A C 2.259 179.900 177.584 0.095 0.000 1.181 129 A CA 2.856 54.939 52.037 0.076 0.000 0.623 129 A CB -0.682 18.420 19.000 0.170 0.000 0.818 129 A HN 0.104 8.071 8.150 -0.111 0.116 0.443 130 L N -2.722 118.469 121.223 -0.054 0.000 2.156 130 L HA -0.358 4.065 4.340 0.137 0.000 0.208 130 L C 2.090 179.036 176.870 0.126 0.000 1.095 130 L CA 2.688 57.559 54.840 0.052 0.000 0.770 130 L CB -0.255 41.789 42.059 -0.025 0.000 0.914 130 L HN 0.364 8.350 8.230 -0.210 0.118 0.439 131 K N 0.430 120.874 120.400 0.073 0.000 2.103 131 K HA -0.347 4.116 4.320 0.089 -0.090 0.207 131 K C 2.241 178.885 176.600 0.075 0.000 1.048 131 K CA 2.925 59.255 56.287 0.072 0.000 0.930 131 K CB -0.632 31.891 32.500 0.039 0.000 0.716 131 K HN 0.270 8.313 8.250 0.026 0.221 0.444 132 K N -2.330 118.118 120.400 0.080 0.000 2.097 132 K HA -0.180 4.177 4.320 0.061 0.000 0.205 132 K C 1.984 178.641 176.600 0.095 0.000 1.050 132 K CA 2.106 58.440 56.287 0.079 0.000 0.938 132 K CB -0.086 32.464 32.500 0.084 0.000 0.718 132 K HN -0.485 7.698 8.250 0.080 0.115 0.442 133 K N -3.710 116.769 120.400 0.132 0.000 2.487 133 K HA -0.053 4.342 4.320 0.126 0.000 0.192 133 K C -0.632 176.062 176.600 0.158 0.000 1.027 133 K CA 0.040 56.420 56.287 0.155 0.000 1.054 133 K CB 0.158 32.782 32.500 0.207 0.000 0.824 133 K HN -0.565 7.645 8.250 0.144 0.126 0.510 134 N N -3.945 114.830 118.700 0.125 0.000 2.869 134 N HA -0.364 4.412 4.740 0.061 0.000 0.249 134 N C -1.950 173.612 175.510 0.087 0.000 1.104 134 N CA 1.064 54.163 53.050 0.081 0.000 0.760 134 N CB -1.226 37.288 38.487 0.044 0.000 1.108 134 N HN -0.486 7.744 8.380 0.114 0.219 0.555 135 Y N -1.536 118.813 120.300 0.081 0.000 2.468 135 Y HA 0.834 5.694 4.550 0.126 -0.235 0.342 135 Y C -1.378 174.592 175.900 0.115 0.000 1.021 135 Y CA -1.100 57.062 58.100 0.102 0.000 1.079 135 Y CB 4.239 42.750 38.460 0.084 0.000 1.226 135 Y HN 0.289 8.580 8.280 0.255 0.143 0.460 136 K N 1.025 121.710 120.400 0.476 0.000 2.527 136 K HA 0.288 4.782 4.320 0.291 0.000 0.260 136 K C -2.465 174.410 176.600 0.458 0.000 0.937 136 K CA -1.188 55.352 56.287 0.422 0.000 0.826 136 K CB 4.294 37.059 32.500 0.442 0.000 1.359 136 K HN 0.316 8.861 8.250 0.492 0.000 0.434 137 L N 0.526 121.951 121.223 0.337 0.000 2.356 137 L HA 0.360 4.916 4.340 0.359 0.000 0.277 137 L C -1.256 175.823 176.870 0.348 0.000 0.996 137 L CA -1.734 53.303 54.840 0.327 0.000 0.822 137 L CB -0.302 41.842 42.059 0.140 0.000 1.256 137 L HN 0.225 8.614 8.230 0.265 0.000 0.413 138 N N 1.710 120.625 118.700 0.359 0.000 2.321 138 N HA 0.247 5.178 4.740 0.318 0.000 0.290 138 N C 0.335 176.027 175.510 0.302 0.000 1.212 138 N CA -1.492 51.755 53.050 0.329 0.000 0.767 138 N CB 3.016 41.731 38.487 0.380 0.000 1.494 138 N HN -0.125 8.318 8.380 0.300 0.118 0.479 139 Q N 3.225 123.159 119.800 0.224 0.000 2.248 139 Q HA -0.333 4.272 4.340 0.191 -0.150 0.208 139 Q C -0.285 175.712 176.000 -0.006 0.000 0.984 139 Q CA 2.743 58.609 55.803 0.106 0.000 0.875 139 Q CB -0.379 28.338 28.738 -0.035 0.000 0.910 139 Q HN 0.408 8.799 8.270 0.201 0.000 0.433 140 Y N -3.029 117.271 120.300 0.000 0.000 2.476 140 Y HA -0.105 4.406 4.550 -0.065 0.000 0.283 140 Y C -0.448 175.361 175.900 -0.151 0.000 1.109 140 Y CA 1.137 59.203 58.100 -0.057 0.000 1.246 140 Y CB 0.850 39.304 38.460 -0.010 0.000 1.068 140 Y HN -0.484 7.908 8.280 0.256 0.041 0.552 141 G N -4.494 104.276 108.800 -0.050 0.000 2.328 141 G HA2 0.009 3.781 3.960 -0.312 0.000 0.299 141 G HA3 0.009 3.810 3.960 -0.265 0.000 0.299 141 G C -2.536 172.121 174.900 -0.405 0.000 1.435 141 G CA -0.227 44.719 45.100 -0.256 0.000 0.865 141 G HN -0.754 7.423 8.290 0.035 0.134 0.601 142 L N -4.374 116.654 121.223 -0.325 0.000 2.352 142 L HA 0.778 5.080 4.340 -0.213 -0.090 0.269 142 L C -1.488 175.070 176.870 -0.519 0.000 1.034 142 L CA -1.770 52.941 54.840 -0.215 0.000 0.806 142 L CB 1.483 43.731 42.059 0.314 0.000 1.244 142 L HN 0.306 8.387 8.230 -0.248 0.000 0.447 143 F N -1.937 118.043 119.950 0.050 0.000 2.467 143 F HA 0.646 5.285 4.527 -0.096 -0.170 0.336 143 F C -0.455 175.118 175.800 -0.378 0.000 1.123 143 F CA -1.450 56.488 58.000 -0.103 0.000 0.964 143 F CB 2.205 41.178 39.000 -0.045 0.000 1.136 143 F HN 0.823 9.113 8.300 0.199 0.130 0.447 144 K N 1.575 121.781 120.400 -0.324 0.000 2.443 144 K HA 0.552 4.638 4.320 -0.686 -0.178 0.252 144 K C 0.072 176.539 176.600 -0.222 0.000 0.933 144 K CA -1.287 54.652 56.287 -0.580 0.000 0.792 144 K CB 3.444 35.391 32.500 -0.922 0.000 1.185 144 K HN 0.557 8.708 8.250 -0.166 0.000 0.425 145 N N 6.633 125.242 118.700 -0.152 0.000 2.725 145 N HA -0.406 4.308 4.740 -0.043 0.000 0.249 145 N C -1.433 174.054 175.510 -0.038 0.000 1.103 145 N CA 1.627 54.639 53.050 -0.064 0.000 0.707 145 N CB -0.772 37.685 38.487 -0.049 0.000 1.043 145 N HN 0.762 9.037 8.380 -0.174 0.000 0.553 146 Q N -9.934 109.848 119.800 -0.030 0.000 2.489 146 Q HA -0.391 3.945 4.340 -0.007 0.000 0.259 146 Q C -1.714 174.297 176.000 0.018 0.000 0.934 146 Q CA 1.312 57.110 55.803 -0.008 0.000 1.131 146 Q CB -2.343 26.384 28.738 -0.017 0.000 1.472 146 Q HN 0.331 8.546 8.270 -0.044 0.028 0.560 147 T N -0.170 114.399 114.554 0.026 0.000 2.841 147 T HA 0.136 4.515 4.350 0.049 0.000 0.285 147 T C -1.569 173.174 174.700 0.072 0.000 0.991 147 T CA -1.263 60.859 62.100 0.037 0.000 0.966 147 T CB 2.054 70.920 68.868 -0.004 0.000 0.962 147 T HN -0.379 7.696 8.240 -0.004 0.163 0.438 148 L N 8.907 130.201 121.223 0.119 0.000 2.418 148 L HA 0.115 4.576 4.340 0.017 -0.110 0.274 148 L C -1.317 175.512 176.870 -0.069 0.000 1.135 148 L CA 0.511 55.385 54.840 0.056 0.000 0.870 148 L CB 0.513 42.651 42.059 0.132 0.000 1.154 148 L HN 0.492 8.790 8.230 0.114 0.000 0.462 149 V N 7.477 127.297 119.914 -0.157 0.000 2.709 149 V HA 0.666 4.739 4.120 -0.078 0.000 0.308 149 V C -2.585 173.420 176.094 -0.148 0.000 1.062 149 V CA -3.909 58.325 62.300 -0.109 0.000 0.901 149 V CB 4.501 36.288 31.823 -0.060 0.000 1.003 149 V HN 0.972 9.004 8.190 -0.264 0.000 0.425 150 P HA 0.118 4.415 4.420 -0.205 0.000 0.276 150 P C -1.479 175.711 177.300 -0.184 0.000 1.252 150 P CA -1.251 61.753 63.100 -0.161 0.000 0.802 150 P CB 0.880 32.513 31.700 -0.111 0.000 1.035 151 L N -3.995 117.031 121.223 -0.327 0.000 2.334 151 L HA 0.188 4.411 4.340 -0.196 0.000 0.286 151 L C -0.638 176.111 176.870 -0.201 0.000 1.108 151 L CA -1.131 53.499 54.840 -0.349 0.000 0.875 151 L CB -2.478 39.033 42.059 -0.912 0.000 1.246 151 L HN 0.118 8.103 8.230 -0.408 0.000 0.439 152 K N 5.031 125.368 120.400 -0.104 0.000 2.356 152 K HA 0.162 4.436 4.320 -0.077 0.000 0.243 152 K C -0.874 175.699 176.600 -0.044 0.000 1.072 152 K CA -0.592 55.654 56.287 -0.068 0.000 1.014 152 K CB -0.885 31.586 32.500 -0.048 0.000 1.523 152 K HN -0.304 8.002 8.250 -0.079 -0.103 0.455 153 I N -0.278 120.267 120.570 -0.042 0.000 3.467 153 I HA 0.295 4.447 4.170 -0.030 0.000 0.314 153 I C -1.094 175.007 176.117 -0.027 0.000 1.177 153 I CA -2.103 59.178 61.300 -0.031 0.000 0.943 153 I CB 1.038 39.020 38.000 -0.030 0.000 1.338 153 I HN -0.437 7.742 8.210 -0.051 0.000 0.482 154 T N -2.325 112.211 114.554 -0.031 0.000 2.904 154 T HA 0.062 4.402 4.350 -0.017 0.000 0.243 154 T C 0.161 174.848 174.700 -0.022 0.000 1.024 154 T CA 1.721 63.806 62.100 -0.025 0.000 1.158 154 T CB 1.015 69.866 68.868 -0.028 0.000 0.867 154 T HN 0.056 8.272 8.240 -0.040 0.000 0.429 155 T N -1.317 113.210 114.554 -0.046 0.000 2.693 155 T HA 0.272 4.616 4.350 -0.009 0.000 0.278 155 T C 0.281 174.931 174.700 -0.083 0.000 0.994 155 T CA -2.637 59.434 62.100 -0.047 0.000 1.033 155 T CB 1.688 70.519 68.868 -0.062 0.000 1.342 155 T HN -0.715 7.485 8.240 -0.066 0.000 0.538 156 E N 1.673 121.823 120.200 -0.083 0.000 2.038 156 E HA -0.373 3.933 4.350 -0.073 0.000 0.195 156 E C 1.530 177.932 176.600 -0.330 0.000 1.000 156 E CA 3.383 59.716 56.400 -0.110 0.000 0.803 156 E CB -0.674 29.066 29.700 0.066 0.000 0.750 156 E HN 0.469 8.805 8.360 -0.041 0.000 0.448 157 K N 0.491 120.492 120.400 -0.664 0.000 2.034 157 K HA -0.362 3.207 4.320 -1.252 0.000 0.214 157 K C 2.155 178.530 176.600 -0.375 0.000 1.051 157 K CA 3.214 58.954 56.287 -0.911 0.000 0.931 157 K CB -0.674 31.251 32.500 -0.958 0.000 0.715 157 K HN 0.094 7.977 8.250 -0.612 0.000 0.446 158 E N -1.817 118.233 120.200 -0.250 0.000 2.110 158 E HA -0.288 3.989 4.350 -0.122 0.000 0.193 158 E C 2.656 179.184 176.600 -0.119 0.000 0.988 158 E CA 2.849 59.165 56.400 -0.140 0.000 0.804 158 E CB -0.557 29.086 29.700 -0.094 0.000 0.745 158 E HN 0.013 8.221 8.360 -0.255 0.000 0.458 159 L N -0.006 121.136 121.223 -0.136 0.000 2.046 159 L HA -0.255 4.083 4.340 -0.004 0.000 0.208 159 L C 1.978 178.718 176.870 -0.217 0.000 1.077 159 L CA 3.359 58.136 54.840 -0.104 0.000 0.747 159 L CB -0.575 41.432 42.059 -0.087 0.000 0.896 159 L HN 0.070 7.987 8.230 -0.160 0.217 0.432 160 I N -1.682 118.715 120.570 -0.288 0.000 2.264 160 I HA -0.544 3.405 4.170 -0.368 0.000 0.248 160 I C 2.350 178.394 176.117 -0.121 0.000 1.111 160 I CA 1.704 62.868 61.300 -0.226 0.000 1.382 160 I CB -2.291 35.690 38.000 -0.032 0.000 1.060 160 I HN 0.567 8.419 8.210 -0.287 0.186 0.418 161 K N -0.343 119.995 120.400 -0.102 0.000 2.147 161 K HA -0.318 3.972 4.320 -0.049 0.000 0.205 161 K C 2.762 179.308 176.600 -0.090 0.000 1.049 161 K CA 3.340 59.584 56.287 -0.071 0.000 0.936 161 K CB -0.376 32.090 32.500 -0.057 0.000 0.722 161 K HN -0.276 7.803 8.250 -0.126 0.095 0.446 162 E N -1.655 118.492 120.200 -0.088 0.000 2.160 162 E HA -0.281 4.057 4.350 -0.020 0.000 0.195 162 E C 1.283 177.761 176.600 -0.204 0.000 0.991 162 E CA 2.212 58.579 56.400 -0.056 0.000 0.810 162 E CB -0.425 29.293 29.700 0.030 0.000 0.742 162 E HN -0.358 7.808 8.360 -0.091 0.140 0.466 163 L N -6.811 114.220 121.223 -0.319 0.000 2.298 163 L HA -0.006 3.633 4.340 -1.168 0.000 0.209 163 L C 1.012 177.508 176.870 -0.624 0.000 1.084 163 L CA 0.243 54.691 54.840 -0.653 0.000 0.816 163 L CB 0.642 42.474 42.059 -0.378 0.000 0.967 163 L HN -0.605 7.346 8.230 -0.223 0.145 0.460 164 G N -3.321 105.334 108.800 -0.240 0.000 2.141 164 G HA2 -0.337 3.591 3.960 -0.053 0.000 0.195 164 G HA3 -0.337 3.561 3.960 -0.102 0.000 0.195 164 G C -1.382 173.572 174.900 0.092 0.000 1.012 164 G CA 0.053 45.105 45.100 -0.079 0.000 0.696 164 G HN -0.081 7.905 8.290 -0.180 0.196 0.508 165 F N -1.183 118.699 119.950 -0.113 0.000 2.585 165 F HA 0.401 4.911 4.527 -0.028 0.000 0.350 165 F C -1.121 174.691 175.800 0.019 0.000 1.074 165 F CA -2.318 55.657 58.000 -0.043 0.000 1.032 165 F CB 2.540 41.509 39.000 -0.052 0.000 1.330 165 F HN -0.413 7.953 8.300 0.110 0.000 0.495 166 T N 1.565 116.092 114.554 -0.046 0.000 2.869 166 T HA -0.085 4.293 4.350 0.047 0.000 0.295 166 T C -1.040 173.827 174.700 0.278 0.000 0.987 166 T CA -0.658 61.474 62.100 0.053 0.000 1.109 166 T CB 0.956 69.786 68.868 -0.064 0.000 0.932 166 T HN -0.057 7.904 8.240 -0.466 0.000 0.518 167 Y N 7.001 127.363 120.300 0.104 0.000 2.359 167 Y HA 0.010 4.670 4.550 0.184 0.000 0.330 167 Y C -1.110 174.877 175.900 0.145 0.000 1.143 167 Y CA 0.067 58.247 58.100 0.133 0.000 1.318 167 Y CB 0.425 38.927 38.460 0.070 0.000 1.234 167 Y HN 0.201 8.645 8.280 0.273 0.000 0.522 168 R N 6.526 126.934 120.500 -0.153 0.000 2.808 168 R HA 0.286 4.393 4.340 -0.388 0.000 0.272 168 R C -1.766 174.274 176.300 -0.434 0.000 0.995 168 R CA -2.062 53.853 56.100 -0.308 0.000 0.917 168 R CB 3.530 33.785 30.300 -0.075 0.000 1.217 168 R HN -0.117 8.332 8.270 0.298 0.000 0.471 169 I N -2.285 118.080 120.570 -0.341 0.000 2.779 169 I HA 0.271 4.317 4.170 -0.208 0.000 0.285 169 I C -0.074 175.994 176.117 -0.082 0.000 1.134 169 I CA -1.816 59.364 61.300 -0.200 0.000 1.398 169 I CB -0.180 37.729 38.000 -0.151 0.000 1.404 169 I HN 0.152 8.182 8.210 -0.301 0.000 0.587 170 P HA -0.088 4.346 4.420 0.024 0.000 0.217 170 P C 0.728 178.004 177.300 -0.041 0.000 1.154 170 P CA 2.135 65.240 63.100 0.008 0.000 0.841 170 P CB 0.370 32.097 31.700 0.045 0.000 0.788 171 K N -4.074 116.300 120.400 -0.043 0.000 2.286 171 K HA -0.328 3.965 4.320 -0.045 0.000 0.203 171 K C 0.747 177.304 176.600 -0.072 0.000 1.045 171 K CA 2.306 58.562 56.287 -0.051 0.000 0.935 171 K CB -1.249 31.224 32.500 -0.044 0.000 0.737 171 K HN 0.199 8.429 8.250 -0.032 0.000 0.460 172 K N -0.475 119.865 120.400 -0.100 0.000 2.708 172 K HA -0.002 4.254 4.320 -0.107 0.000 0.219 172 K C -0.258 176.241 176.600 -0.169 0.000 1.068 172 K CA -1.572 54.636 56.287 -0.131 0.000 1.212 172 K CB -0.907 31.498 32.500 -0.158 0.000 0.978 172 K HN -0.830 7.309 8.250 -0.101 0.050 0.475 173 R N -1.465 118.957 120.500 -0.130 0.000 2.489 173 R HA -0.185 4.187 4.340 -0.145 -0.119 0.287 173 R C 0.152 176.363 176.300 -0.148 0.000 0.902 173 R CA 1.385 57.408 56.100 -0.129 0.000 1.136 173 R CB -0.572 29.681 30.300 -0.079 0.000 0.872 173 R HN -0.549 7.551 8.270 -0.099 0.110 0.421 174 L N 0.000 121.119 121.223 -0.173 0.000 2.949 174 L HA 0.000 4.285 4.340 -0.091 0.000 0.249 174 L CA 0.000 54.765 54.840 -0.125 0.000 0.813 174 L CB 0.000 41.910 42.059 -0.248 0.000 0.961 174 L HN 0.000 8.059 8.230 -0.181 0.063 0.502