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 3g3i_1_A DATA FIRST_RESID 3 DATA SEQUENCE NRSLIVTTIL EEPYVLFKKS DKPLYGNDRF EGYCIDLLRE LSTHLGFTYE DATA SEQUENCE IRLVEDGKYG AQDDVNGQWN GMVRELIDHK ADLAVAPLAI TYVREEVIDF DATA SEQUENCE SKPFMTLGIS ILYRKGTPID SADDLAKQTK IEYGAVEDGA TMTFFKKSKI DATA SEQUENCE STYDKMWAFM SSRRQSVLVK SNEEGIQRVL TSDYAFLMES TTIEFVTQRN DATA SEQUENCE cNLTQIGGLI DSKGYGVGTP MGSPYRDKIT LAILKLQEEG KLHMMKEKWW DATA SEQUENCE RGNGcP 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 3 N HA 0.000 4.770 4.740 0.050 0.000 0.220 3 N C 0.000 175.547 175.510 0.061 0.000 1.280 3 N CA 0.000 53.086 53.050 0.060 0.000 0.885 3 N CB 0.000 38.537 38.487 0.083 0.000 1.341 4 R N 1.799 122.334 120.500 0.059 0.000 2.489 4 R HA 0.037 4.400 4.340 0.038 0.000 0.287 4 R C -0.038 176.297 176.300 0.058 0.000 1.053 4 R CA 0.031 56.159 56.100 0.048 0.000 1.036 4 R CB 0.595 30.919 30.300 0.039 0.000 0.966 4 R HN 0.221 8.527 8.270 0.060 0.000 0.432 5 S N 2.983 118.712 115.700 0.048 0.000 2.549 5 S HA -0.083 4.596 4.470 0.106 -0.145 0.283 5 S C -0.021 174.595 174.600 0.027 0.000 1.320 5 S CA 0.040 58.278 58.200 0.064 0.000 1.058 5 S CB 0.766 63.991 63.200 0.041 0.000 0.882 5 S HN 0.050 8.382 8.310 0.037 0.000 0.498 6 L N 4.426 125.655 121.223 0.010 0.000 2.397 6 L HA -0.075 4.299 4.340 -0.153 -0.126 0.271 6 L C -0.284 176.554 176.870 -0.054 0.000 1.148 6 L CA -0.110 54.651 54.840 -0.131 0.000 0.825 6 L CB 0.587 42.393 42.059 -0.422 0.000 1.117 6 L HN 0.215 8.492 8.230 0.079 0.000 0.456 7 I N 2.845 123.361 120.570 -0.091 0.000 2.352 7 I HA 0.149 4.455 4.170 -0.020 -0.148 0.290 7 I C -0.407 175.641 176.117 -0.115 0.000 1.036 7 I CA -2.304 58.958 61.300 -0.064 0.000 1.336 7 I CB -1.073 36.891 38.000 -0.060 0.000 1.407 7 I HN 0.285 8.761 8.210 -0.116 -0.335 0.497 8 V N 8.716 128.575 119.914 -0.090 0.000 2.350 8 V HA 0.421 4.633 4.120 -0.182 -0.201 0.285 8 V C -0.980 175.019 176.094 -0.159 0.000 1.014 8 V CA -1.538 60.672 62.300 -0.149 0.000 0.831 8 V CB 1.610 33.337 31.823 -0.161 0.000 1.000 8 V HN 0.538 8.701 8.190 -0.045 0.000 0.433 9 T N 8.881 123.335 114.554 -0.167 0.000 2.897 9 T HA 0.691 5.180 4.350 -0.162 -0.236 0.294 9 T C -0.723 173.854 174.700 -0.205 0.000 1.004 9 T CA -0.694 61.304 62.100 -0.169 0.000 1.106 9 T CB 0.853 69.635 68.868 -0.143 0.000 0.949 9 T HN 0.206 8.344 8.240 -0.169 0.000 0.520 10 T N 5.365 119.778 114.554 -0.236 0.000 2.671 10 T HA 0.390 4.593 4.350 -0.245 0.000 0.300 10 T C -2.637 171.896 174.700 -0.278 0.000 1.238 10 T CA -2.125 59.813 62.100 -0.271 0.000 1.020 10 T CB 1.885 70.553 68.868 -0.334 0.000 1.503 10 T HN -0.322 7.783 8.240 -0.226 0.000 0.497 11 I N -0.365 120.028 120.570 -0.294 0.000 2.827 11 I HA 0.266 4.286 4.170 -0.250 0.000 0.298 11 I C -2.669 173.315 176.117 -0.223 0.000 1.235 11 I CA -1.114 60.011 61.300 -0.292 0.000 1.021 11 I CB 3.323 41.030 38.000 -0.490 0.000 1.259 11 I HN 0.278 8.319 8.210 -0.282 0.000 0.427 12 L N 5.721 126.841 121.223 -0.172 0.000 2.418 12 L HA -0.093 4.277 4.340 -0.160 -0.126 0.274 12 L C -0.747 176.091 176.870 -0.053 0.000 1.135 12 L CA 0.007 54.768 54.840 -0.133 0.000 0.870 12 L CB -0.100 41.885 42.059 -0.123 0.000 1.154 12 L HN 0.248 8.383 8.230 -0.157 0.000 0.462 13 E N 4.069 124.249 120.200 -0.033 0.000 2.454 13 E HA 0.149 4.531 4.350 0.053 0.000 0.315 13 E C -2.224 174.369 176.600 -0.013 0.000 0.907 13 E CA -0.907 55.516 56.400 0.039 0.000 0.797 13 E CB 3.609 33.381 29.700 0.120 0.000 1.396 13 E HN 0.092 8.414 8.360 -0.063 0.000 0.389 14 E N 5.809 125.952 120.200 -0.094 0.000 2.360 14 E HA 0.024 4.170 4.350 -0.339 0.000 0.269 14 E C -1.227 174.986 176.600 -0.645 0.000 1.022 14 E CA -2.552 53.652 56.400 -0.327 0.000 0.887 14 E CB 0.918 30.465 29.700 -0.255 0.000 0.990 14 E HN 0.257 8.588 8.360 -0.049 0.000 0.426 15 P HA 0.277 4.277 4.420 -0.700 0.000 0.266 15 P C -0.588 176.212 177.300 -0.833 0.000 1.561 15 P CA -0.126 62.382 63.100 -0.986 0.000 1.089 15 P CB 0.302 31.220 31.700 -1.302 0.000 1.534 16 Y N 0.768 120.808 120.300 -0.433 0.000 2.206 16 Y HA -0.114 4.314 4.550 -0.204 0.000 0.292 16 Y C 0.139 175.847 175.900 -0.321 0.000 1.123 16 Y CA 4.589 62.529 58.100 -0.266 0.000 1.142 16 Y CB 0.921 39.310 38.460 -0.118 0.000 1.006 16 Y HN -0.291 7.736 8.280 -0.295 0.076 0.518 17 V N -3.516 116.320 119.914 -0.131 0.000 2.655 17 V HA 0.381 4.529 4.120 -0.194 -0.145 0.301 17 V C -1.906 174.100 176.094 -0.147 0.000 1.082 17 V CA -0.664 61.539 62.300 -0.162 0.000 0.899 17 V CB 2.450 34.177 31.823 -0.160 0.000 1.014 17 V HN -0.329 7.801 8.190 -0.099 0.000 0.429 18 L N 3.924 125.078 121.223 -0.115 0.000 2.376 18 L HA 0.422 4.704 4.340 -0.098 0.000 0.258 18 L C -1.369 175.493 176.870 -0.013 0.000 1.013 18 L CA -1.134 53.664 54.840 -0.070 0.000 0.822 18 L CB 4.231 46.277 42.059 -0.022 0.000 1.388 18 L HN 0.493 8.662 8.230 -0.102 0.000 0.413 19 F N 0.882 120.847 119.950 0.026 0.000 2.467 19 F HA 0.086 4.680 4.527 -0.179 -0.175 0.362 19 F C 0.734 176.507 175.800 -0.045 0.000 1.090 19 F CA -0.067 57.882 58.000 -0.084 0.000 1.202 19 F CB 0.616 39.548 39.000 -0.114 0.000 1.113 19 F HN 0.122 8.444 8.300 0.038 0.000 0.541 20 K N 4.685 125.178 120.400 0.154 0.000 2.485 20 K HA -0.228 4.166 4.320 0.122 0.000 0.277 20 K C 0.285 176.920 176.600 0.059 0.000 0.990 20 K CA 0.771 57.119 56.287 0.101 0.000 0.994 20 K CB 0.473 33.014 32.500 0.068 0.000 0.906 20 K HN -0.246 8.083 8.250 0.131 0.000 0.488 21 K N 3.567 124.001 120.400 0.057 0.000 2.276 21 K HA 0.053 4.377 4.320 0.007 0.000 0.283 21 K C -0.621 175.981 176.600 0.003 0.000 1.044 21 K CA 0.487 56.788 56.287 0.023 0.000 0.944 21 K CB 0.338 32.859 32.500 0.035 0.000 1.012 21 K HN 0.344 8.639 8.250 0.075 0.000 0.472 22 S N 3.327 119.012 115.700 -0.025 0.000 2.587 22 S HA 0.225 4.688 4.470 -0.013 0.000 0.269 22 S C -0.752 173.824 174.600 -0.041 0.000 1.154 22 S CA -1.262 56.922 58.200 -0.027 0.000 0.824 22 S CB 2.104 65.286 63.200 -0.031 0.000 1.118 22 S HN 0.175 8.460 8.310 -0.041 0.000 0.462 23 D N 0.493 120.875 120.400 -0.030 0.000 2.162 23 D HA 0.035 4.652 4.640 -0.037 0.000 0.205 23 D C 0.319 176.595 176.300 -0.041 0.000 0.964 23 D CA 1.271 55.252 54.000 -0.032 0.000 0.847 23 D CB 0.435 41.224 40.800 -0.018 0.000 0.988 23 D HN 0.244 8.601 8.370 -0.021 0.000 0.480 24 K N 1.486 121.867 120.400 -0.032 0.000 2.326 24 K HA 0.141 4.449 4.320 -0.020 0.000 0.275 24 K C -2.291 174.260 176.600 -0.081 0.000 1.018 24 K CA -1.695 54.575 56.287 -0.029 0.000 0.962 24 K CB 0.585 33.085 32.500 0.001 0.000 0.953 24 K HN -0.298 7.937 8.250 -0.024 0.000 0.475 25 P HA -0.048 4.198 4.420 -0.289 0.000 0.268 25 P C -1.594 175.483 177.300 -0.372 0.000 1.205 25 P CA -0.049 62.885 63.100 -0.278 0.000 0.771 25 P CB 0.581 32.112 31.700 -0.282 0.000 0.858 26 L N -0.037 120.885 121.223 -0.503 0.000 2.330 26 L HA 0.215 4.422 4.340 -0.221 0.000 0.271 26 L C -1.192 175.280 176.870 -0.664 0.000 1.013 26 L CA -1.104 53.497 54.840 -0.398 0.000 0.816 26 L CB 2.534 44.464 42.059 -0.214 0.000 1.287 26 L HN -0.269 7.665 8.230 -0.494 0.000 0.435 27 Y N -0.895 119.379 120.300 -0.042 0.000 2.512 27 Y HA 0.077 4.608 4.550 -0.031 0.000 0.348 27 Y C 0.576 176.483 175.900 0.012 0.000 0.990 27 Y CA -0.612 57.476 58.100 -0.021 0.000 1.033 27 Y CB 3.184 41.637 38.460 -0.012 0.000 1.259 27 Y HN 0.010 8.326 8.280 0.061 0.000 0.461 28 G N 2.905 111.821 108.800 0.194 0.000 2.596 28 G HA2 -0.457 3.623 3.960 0.201 0.000 0.295 28 G HA3 -0.457 3.602 3.960 0.166 0.000 0.295 28 G C 0.759 175.800 174.900 0.235 0.000 1.240 28 G CA 1.145 46.359 45.100 0.190 0.000 0.985 28 G HN 0.147 8.556 8.290 0.199 0.000 0.555 29 N N 3.112 121.950 118.700 0.230 0.000 2.381 29 N HA -0.184 4.871 4.740 0.524 0.000 0.182 29 N C 1.553 177.239 175.510 0.293 0.000 1.025 29 N CA 2.049 55.300 53.050 0.335 0.000 0.888 29 N CB -0.501 38.113 38.487 0.211 0.000 0.965 29 N HN 0.268 8.747 8.380 0.164 0.000 0.438 30 D N 0.810 121.306 120.400 0.160 0.000 2.350 30 D HA -0.161 4.553 4.640 0.123 0.000 0.216 30 D C 1.360 177.683 176.300 0.038 0.000 0.968 30 D CA 1.656 55.719 54.000 0.106 0.000 0.894 30 D CB -0.217 40.633 40.800 0.083 0.000 0.909 30 D HN -0.561 7.859 8.370 0.142 0.035 0.520 31 R N -2.231 118.230 120.500 -0.065 0.000 2.189 31 R HA -0.238 3.990 4.340 -0.186 0.000 0.218 31 R C -0.138 176.001 176.300 -0.268 0.000 1.074 31 R CA 2.417 58.355 56.100 -0.271 0.000 0.991 31 R CB 0.407 30.386 30.300 -0.534 0.000 0.883 31 R HN -0.640 7.557 8.270 -0.032 0.053 0.457 32 F N -3.849 116.181 119.950 0.134 0.000 2.492 32 F HA 0.745 5.486 4.527 0.050 -0.184 0.327 32 F C -1.352 174.470 175.800 0.036 0.000 1.079 32 F CA -1.574 56.459 58.000 0.055 0.000 0.967 32 F CB 3.054 42.046 39.000 -0.014 0.000 1.169 32 F HN -0.769 7.604 8.300 0.191 0.042 0.472 33 E N -2.865 117.437 120.200 0.170 0.000 2.449 33 E HA 0.352 4.757 4.350 0.092 0.000 0.278 33 E C -2.040 174.407 176.600 -0.254 0.000 0.992 33 E CA -1.909 54.529 56.400 0.064 0.000 0.807 33 E CB 3.661 33.491 29.700 0.218 0.000 1.350 33 E HN 0.333 8.779 8.360 0.144 0.000 0.462 34 G N -2.909 105.462 108.800 -0.716 0.000 2.361 34 G HA2 -0.193 1.908 3.960 -3.099 0.000 0.331 34 G HA3 -0.193 3.276 3.960 -1.039 -0.133 0.331 34 G C -1.374 172.667 174.900 -1.431 0.000 1.324 34 G CA -0.397 43.713 45.100 -1.649 0.000 0.984 34 G HN -0.250 7.752 8.290 -0.480 0.000 0.586 35 Y N 0.842 120.173 120.300 -1.614 0.000 2.114 35 Y HA -0.357 3.836 4.550 -0.595 0.000 0.282 35 Y C 1.236 176.961 175.900 -0.291 0.000 1.165 35 Y CA 4.112 61.800 58.100 -0.688 0.000 1.148 35 Y CB 0.645 38.954 38.460 -0.250 0.000 0.972 35 Y HN -0.182 7.240 8.280 -1.430 0.000 0.504 36 C N -3.783 115.521 119.300 0.005 0.000 2.446 36 C HA -0.418 3.978 4.460 -0.108 0.000 0.279 36 C C 1.398 176.258 174.990 -0.217 0.000 1.366 36 C CA 4.311 63.288 59.018 -0.068 0.000 1.763 36 C CB -0.348 27.403 27.740 0.017 0.000 1.929 36 C HN -0.222 7.920 8.230 0.036 0.109 0.509 37 I N 0.772 121.208 120.570 -0.223 0.000 2.286 37 I HA -0.379 3.687 4.170 -0.174 0.000 0.245 37 I C 1.748 177.787 176.117 -0.130 0.000 1.104 37 I CA 2.329 63.531 61.300 -0.163 0.000 1.397 37 I CB -1.020 36.930 38.000 -0.084 0.000 1.072 37 I HN -0.822 7.133 8.210 -0.260 0.100 0.417 38 D N -0.048 120.270 120.400 -0.137 0.000 2.144 38 D HA -0.270 4.365 4.640 -0.008 0.000 0.199 38 D C 2.455 178.644 176.300 -0.186 0.000 0.984 38 D CA 3.405 57.358 54.000 -0.079 0.000 0.834 38 D CB -0.292 40.524 40.800 0.027 0.000 0.955 38 D HN -0.225 8.035 8.370 -0.183 0.000 0.465 39 L N 0.728 121.752 121.223 -0.331 0.000 2.017 39 L HA -0.256 3.887 4.340 -0.329 0.000 0.208 39 L C 1.429 178.144 176.870 -0.259 0.000 1.073 39 L CA 2.886 57.514 54.840 -0.354 0.000 0.745 39 L CB -0.195 41.556 42.059 -0.514 0.000 0.894 39 L HN -0.266 7.723 8.230 -0.400 0.000 0.432 40 L N -1.399 119.663 121.223 -0.269 0.000 2.042 40 L HA -0.400 3.788 4.340 -0.253 0.000 0.210 40 L C 1.539 178.237 176.870 -0.287 0.000 1.076 40 L CA 3.289 57.945 54.840 -0.306 0.000 0.749 40 L CB -0.693 41.110 42.059 -0.427 0.000 0.893 40 L HN -0.246 7.817 8.230 -0.279 0.000 0.432 41 R N -1.132 119.267 120.500 -0.168 0.000 2.073 41 R HA -0.381 3.974 4.340 0.025 0.000 0.234 41 R C 2.358 178.628 176.300 -0.051 0.000 1.134 41 R CA 3.351 59.429 56.100 -0.037 0.000 0.952 41 R CB -0.351 29.973 30.300 0.041 0.000 0.850 41 R HN -0.360 7.823 8.270 -0.145 0.000 0.433 42 E N -0.320 119.845 120.200 -0.057 0.000 2.077 42 E HA -0.249 4.156 4.350 0.092 0.000 0.193 42 E C 2.622 179.222 176.600 0.000 0.000 0.989 42 E CA 2.850 59.255 56.400 0.007 0.000 0.800 42 E CB -0.358 29.306 29.700 -0.059 0.000 0.746 42 E HN -0.525 7.784 8.360 -0.084 0.000 0.452 43 L N -1.344 119.820 121.223 -0.099 0.000 2.083 43 L HA -0.405 3.923 4.340 -0.019 0.000 0.209 43 L C 2.256 178.980 176.870 -0.244 0.000 1.083 43 L CA 3.446 58.255 54.840 -0.052 0.000 0.752 43 L CB -0.610 41.490 42.059 0.068 0.000 0.899 43 L HN 0.200 8.354 8.230 -0.127 0.000 0.433 44 S N -1.176 114.189 115.700 -0.557 0.000 2.368 44 S HA -0.296 2.695 4.470 -2.464 0.000 0.225 44 S C 2.309 176.617 174.600 -0.488 0.000 1.030 44 S CA 3.700 61.252 58.200 -1.079 0.000 0.999 44 S CB -0.308 62.626 63.200 -0.444 0.000 0.844 44 S HN 0.032 8.110 8.310 -0.387 0.000 0.459 45 T N -1.531 112.914 114.554 -0.182 0.000 2.896 45 T HA -0.185 4.099 4.350 -0.109 0.000 0.263 45 T C 1.571 176.236 174.700 -0.059 0.000 1.050 45 T CA 2.629 64.675 62.100 -0.089 0.000 1.140 45 T CB 0.305 69.147 68.868 -0.043 0.000 0.877 45 T HN -0.565 7.603 8.240 -0.120 0.000 0.457 46 H N 0.163 119.183 119.070 -0.082 0.000 2.357 46 H HA -0.141 4.408 4.556 -0.013 0.000 0.301 46 H C 1.143 176.479 175.328 0.013 0.000 1.082 46 H CA 2.331 58.367 56.048 -0.021 0.000 1.342 46 H CB 0.795 30.558 29.762 0.002 0.000 1.389 46 H HN -0.377 8.040 8.280 0.229 0.000 0.511 47 L N -5.275 116.037 121.223 0.149 0.000 2.554 47 L HA 0.114 4.574 4.340 0.201 0.000 0.225 47 L C 0.240 177.228 176.870 0.197 0.000 1.104 47 L CA 0.057 55.031 54.840 0.223 0.000 0.866 47 L CB 1.015 43.339 42.059 0.442 0.000 1.047 47 L HN -0.445 7.836 8.230 0.085 0.000 0.468 48 G N -1.290 107.537 108.800 0.045 0.000 2.368 48 G HA2 -0.295 3.695 3.960 -0.017 0.000 0.290 48 G HA3 -0.295 3.712 3.960 0.079 0.000 0.290 48 G C -0.720 174.279 174.900 0.165 0.000 1.098 48 G CA 0.099 45.230 45.100 0.051 0.000 1.073 48 G HN -0.502 7.754 8.290 -0.057 0.000 0.511 49 F N -3.801 116.225 119.950 0.127 0.000 2.611 49 F HA 0.584 5.175 4.527 0.106 0.000 0.324 49 F C -2.265 173.615 175.800 0.133 0.000 1.061 49 F CA -3.291 54.783 58.000 0.122 0.000 0.954 49 F CB 1.969 41.037 39.000 0.113 0.000 1.301 49 F HN -0.651 7.409 8.300 -0.401 0.000 0.482 50 T N -3.648 111.120 114.554 0.357 0.000 2.948 50 T HA 0.283 4.691 4.350 0.098 0.000 0.285 50 T C -1.504 173.416 174.700 0.365 0.000 1.019 50 T CA -2.173 60.043 62.100 0.193 0.000 1.013 50 T CB 2.325 71.205 68.868 0.020 0.000 1.117 50 T HN 0.019 8.466 8.240 0.344 0.000 0.533 51 Y N -4.883 115.514 120.300 0.162 0.000 2.624 51 Y HA 0.786 5.639 4.550 0.080 -0.255 0.334 51 Y C -2.304 173.631 175.900 0.059 0.000 1.155 51 Y CA -1.860 56.312 58.100 0.119 0.000 1.046 51 Y CB 3.196 41.769 38.460 0.187 0.000 1.316 51 Y HN -0.109 7.931 8.280 -0.401 0.000 0.457 52 E N 1.468 121.787 120.200 0.198 0.000 2.216 52 E HA 0.386 4.941 4.350 0.108 -0.141 0.260 52 E C -1.234 175.448 176.600 0.136 0.000 0.880 52 E CA -1.934 54.542 56.400 0.127 0.000 0.765 52 E CB 4.026 33.764 29.700 0.065 0.000 1.174 52 E HN 0.290 8.768 8.360 0.196 0.000 0.417 53 I N 7.239 127.895 120.570 0.144 0.000 2.416 53 I HA 0.132 4.423 4.170 -0.082 -0.170 0.288 53 I C -0.086 176.003 176.117 -0.046 0.000 1.051 53 I CA 0.528 61.803 61.300 -0.041 0.000 1.375 53 I CB 0.190 38.046 38.000 -0.241 0.000 1.407 53 I HN 0.190 8.842 8.210 0.195 -0.326 0.516 54 R N 7.309 127.745 120.500 -0.107 0.000 2.502 54 R HA 0.365 4.730 4.340 0.040 0.000 0.300 54 R C -1.446 174.794 176.300 -0.099 0.000 0.984 54 R CA -1.881 54.196 56.100 -0.038 0.000 0.882 54 R CB 2.755 33.049 30.300 -0.011 0.000 1.180 54 R HN 0.430 8.612 8.270 -0.147 0.000 0.444 55 L N 4.176 125.370 121.223 -0.048 0.000 2.499 55 L HA -0.102 4.309 4.340 -0.155 -0.164 0.273 55 L C 0.620 177.456 176.870 -0.056 0.000 1.195 55 L CA 0.200 54.997 54.840 -0.073 0.000 0.882 55 L CB 0.420 42.490 42.059 0.018 0.000 1.133 55 L HN 0.384 8.642 8.230 0.046 0.000 0.483 56 V N 3.570 123.425 119.914 -0.099 0.000 2.557 56 V HA -0.201 3.879 4.120 -0.066 0.000 0.301 56 V C 1.140 177.212 176.094 -0.037 0.000 1.026 56 V CA 0.633 62.887 62.300 -0.077 0.000 1.137 56 V CB 1.245 32.999 31.823 -0.114 0.000 0.917 56 V HN -0.032 8.075 8.190 -0.138 0.000 0.484 57 E N 7.998 128.190 120.200 -0.014 0.000 2.150 57 E HA -0.307 4.052 4.350 0.015 0.000 0.193 57 E C -0.180 176.426 176.600 0.011 0.000 0.985 57 E CA 2.626 59.030 56.400 0.007 0.000 0.814 57 E CB -0.012 29.697 29.700 0.015 0.000 0.752 57 E HN 0.538 8.890 8.360 -0.015 0.000 0.466 58 D N -4.650 115.754 120.400 0.007 0.000 2.340 58 D HA -0.052 4.602 4.640 0.023 0.000 0.220 58 D C 0.791 177.099 176.300 0.014 0.000 1.039 58 D CA -0.676 53.334 54.000 0.018 0.000 0.866 58 D CB -1.188 39.630 40.800 0.030 0.000 0.913 58 D HN -0.397 7.975 8.370 0.002 0.000 0.523 59 G N -0.436 108.357 108.800 -0.012 0.000 2.153 59 G HA2 -0.446 3.480 3.960 -0.056 0.000 0.252 59 G HA3 -0.446 3.514 3.960 0.001 0.000 0.252 59 G C -0.531 174.351 174.900 -0.030 0.000 0.994 59 G CA 0.774 45.858 45.100 -0.026 0.000 0.698 59 G HN -0.463 7.767 8.290 -0.025 0.045 0.521 60 K N -1.563 118.820 120.400 -0.028 0.000 2.267 60 K HA 0.342 4.716 4.320 0.089 0.000 0.246 60 K C -0.708 175.873 176.600 -0.032 0.000 0.954 60 K CA -2.102 54.206 56.287 0.034 0.000 0.824 60 K CB 2.387 34.945 32.500 0.097 0.000 1.167 60 K HN -0.800 7.638 8.250 -0.030 -0.206 0.431 61 Y N 0.041 120.380 120.300 0.065 0.000 2.153 61 Y HA -0.203 4.366 4.550 0.032 0.000 0.289 61 Y C 0.185 176.150 175.900 0.107 0.000 1.119 61 Y CA 2.807 60.945 58.100 0.063 0.000 1.116 61 Y CB 1.133 39.632 38.460 0.065 0.000 1.004 61 Y HN 0.443 8.965 8.280 0.404 0.000 0.501 62 G N -6.720 102.280 108.800 0.332 0.000 2.350 62 G HA2 -0.142 4.321 3.960 0.314 0.000 0.274 62 G HA3 -0.142 4.044 3.960 0.376 0.000 0.274 62 G C -3.044 172.117 174.900 0.436 0.000 1.621 62 G CA -0.105 45.212 45.100 0.361 0.000 0.935 62 G HN -0.683 7.816 8.290 0.348 0.000 0.694 63 A N 3.080 126.079 122.820 0.299 0.000 2.566 63 A HA 0.551 4.872 4.320 0.001 0.000 0.292 63 A C -2.203 175.107 177.584 -0.456 0.000 1.112 63 A CA -1.278 50.748 52.037 -0.018 0.000 0.707 63 A CB 3.861 22.850 19.000 -0.019 0.000 1.302 63 A HN 0.242 8.849 8.150 0.251 -0.306 0.409 64 Q N 0.405 119.599 119.800 -1.010 0.000 2.257 64 Q HA 0.070 3.949 4.340 -1.048 -0.168 0.255 64 Q C -1.021 174.701 176.000 -0.463 0.000 0.920 64 Q CA -1.009 54.154 55.803 -1.066 0.000 0.927 64 Q CB 1.811 29.689 28.738 -1.433 0.000 1.229 64 Q HN 0.210 7.901 8.270 -0.964 0.000 0.433 65 D N 5.476 125.695 120.400 -0.301 0.000 2.383 65 D HA -0.127 4.441 4.640 -0.119 0.000 0.252 65 D C 0.674 176.892 176.300 -0.136 0.000 1.166 65 D CA -0.049 53.860 54.000 -0.152 0.000 0.879 65 D CB 1.882 42.630 40.800 -0.086 0.000 1.164 65 D HN 0.063 8.253 8.370 -0.300 0.000 0.462 66 D N 5.453 125.798 120.400 -0.092 0.000 2.312 66 D HA -0.211 4.377 4.640 -0.087 0.000 0.211 66 D C 0.499 176.776 176.300 -0.039 0.000 0.964 66 D CA 2.364 56.324 54.000 -0.066 0.000 0.877 66 D CB -0.115 40.665 40.800 -0.033 0.000 0.924 66 D HN 0.336 8.664 8.370 -0.071 0.000 0.515 67 V N -1.399 118.496 119.914 -0.031 0.000 2.521 67 V HA -0.088 4.025 4.120 -0.011 0.000 0.239 67 V C 0.300 176.384 176.094 -0.016 0.000 1.053 67 V CA 1.534 63.824 62.300 -0.016 0.000 1.073 67 V CB 0.925 32.745 31.823 -0.006 0.000 0.746 67 V HN -0.491 7.792 8.190 -0.034 -0.114 0.476 68 N N -1.087 117.600 118.700 -0.021 0.000 2.282 68 N HA 0.020 4.757 4.740 -0.006 0.000 0.185 68 N C 0.922 176.422 175.510 -0.017 0.000 1.099 68 N CA -0.262 52.781 53.050 -0.013 0.000 0.878 68 N CB 0.773 39.258 38.487 -0.004 0.000 0.993 68 N HN -0.443 8.140 8.380 -0.027 -0.220 0.481 69 G N 0.004 108.775 108.800 -0.048 0.000 2.162 69 G HA2 -0.507 3.479 3.960 -0.106 0.000 0.260 69 G HA3 -0.507 3.438 3.960 -0.026 0.000 0.260 69 G C -0.691 174.173 174.900 -0.059 0.000 0.976 69 G CA 0.382 45.444 45.100 -0.063 0.000 0.655 69 G HN -0.222 8.029 8.290 -0.065 0.000 0.533 70 Q N -0.350 119.425 119.800 -0.042 0.000 2.293 70 Q HA 0.042 4.439 4.340 0.096 0.000 0.251 70 Q C -0.446 175.532 176.000 -0.037 0.000 0.930 70 Q CA -0.555 55.264 55.803 0.026 0.000 0.893 70 Q CB 1.216 29.981 28.738 0.044 0.000 1.215 70 Q HN -0.198 8.349 8.270 -0.042 -0.302 0.425 71 W N 1.057 122.368 121.300 0.019 0.000 2.253 71 W HA 0.357 5.221 4.660 0.028 -0.188 0.348 71 W C 0.127 176.658 176.519 0.022 0.000 1.229 71 W CA -0.098 57.260 57.345 0.022 0.000 1.335 71 W CB 1.710 31.180 29.460 0.016 0.000 1.165 71 W HN 0.376 8.803 8.180 0.411 0.000 0.631 72 N N -2.920 115.968 118.700 0.313 0.000 3.167 72 N HA 0.157 4.995 4.740 0.162 0.000 0.323 72 N C 0.050 175.676 175.510 0.193 0.000 1.478 72 N CA -1.777 51.389 53.050 0.194 0.000 0.753 72 N CB 1.815 40.375 38.487 0.122 0.000 1.721 72 N HN -0.243 8.359 8.380 0.370 0.000 0.618 73 G N -2.161 106.707 108.800 0.113 0.000 2.601 73 G HA2 -0.455 3.795 3.960 0.032 0.000 0.261 73 G HA3 -0.455 3.618 3.960 0.098 -0.054 0.261 73 G C 0.399 175.313 174.900 0.023 0.000 1.289 73 G CA 0.656 45.797 45.100 0.068 0.000 0.920 73 G HN -0.052 8.697 8.290 0.091 -0.406 0.571 74 M N 1.818 121.406 119.600 -0.021 0.000 2.229 74 M HA -0.401 4.029 4.480 -0.083 0.000 0.264 74 M C 2.356 178.608 176.300 -0.080 0.000 1.063 74 M CA 3.853 59.111 55.300 -0.070 0.000 1.114 74 M CB 0.202 32.739 32.600 -0.105 0.000 1.387 74 M HN -0.326 7.949 8.290 -0.026 0.000 0.420 75 V N -0.639 119.248 119.914 -0.045 0.000 2.287 75 V HA -0.588 3.386 4.120 -0.243 0.000 0.248 75 V C 1.478 177.475 176.094 -0.161 0.000 1.053 75 V CA 4.136 66.337 62.300 -0.164 0.000 1.027 75 V CB -0.410 31.290 31.823 -0.205 0.000 0.646 75 V HN -0.559 7.638 8.190 0.026 0.009 0.447 76 R N -1.204 119.292 120.500 -0.006 0.000 2.096 76 R HA -0.342 4.008 4.340 0.016 0.000 0.235 76 R C 1.876 178.162 176.300 -0.023 0.000 1.127 76 R CA 2.707 58.825 56.100 0.029 0.000 0.968 76 R CB -0.817 29.559 30.300 0.126 0.000 0.861 76 R HN -0.746 7.567 8.270 0.072 0.000 0.440 77 E N -0.723 119.452 120.200 -0.041 0.000 2.085 77 E HA -0.314 4.017 4.350 -0.033 0.000 0.194 77 E C 2.559 179.101 176.600 -0.096 0.000 0.994 77 E CA 2.819 59.184 56.400 -0.058 0.000 0.801 77 E CB -0.632 29.024 29.700 -0.072 0.000 0.743 77 E HN -0.635 7.703 8.360 -0.037 0.000 0.453 78 L N -0.938 120.194 121.223 -0.152 0.000 2.044 78 L HA -0.208 3.988 4.340 -0.239 0.000 0.205 78 L C 3.188 179.945 176.870 -0.188 0.000 1.075 78 L CA 2.736 57.444 54.840 -0.220 0.000 0.747 78 L CB -0.006 41.885 42.059 -0.281 0.000 0.903 78 L HN -0.643 7.491 8.230 -0.159 0.000 0.435 79 I N -0.452 120.028 120.570 -0.151 0.000 2.194 79 I HA -0.458 3.667 4.170 -0.076 0.000 0.246 79 I C 1.611 177.774 176.117 0.077 0.000 1.093 79 I CA 3.622 64.880 61.300 -0.070 0.000 1.355 79 I CB -0.089 37.843 38.000 -0.112 0.000 1.046 79 I HN -0.176 7.926 8.210 -0.180 0.000 0.413 80 D N -4.017 116.414 120.400 0.051 0.000 2.336 80 D HA 0.037 4.729 4.640 0.087 0.000 0.229 80 D C -0.726 175.673 176.300 0.165 0.000 1.061 80 D CA 0.452 54.505 54.000 0.087 0.000 0.875 80 D CB -0.254 40.572 40.800 0.043 0.000 0.904 80 D HN -0.501 7.864 8.370 0.005 0.008 0.525 81 H N -5.025 114.008 119.070 -0.061 0.000 2.820 81 H HA -0.334 4.180 4.556 -0.070 0.000 0.295 81 H C 0.131 175.428 175.328 -0.051 0.000 1.187 81 H CA 1.496 57.509 56.048 -0.058 0.000 1.144 81 H CB -2.663 27.072 29.762 -0.045 0.000 1.354 81 H HN -0.161 7.983 8.280 0.083 0.186 0.395 82 K N -3.939 116.467 120.400 0.010 0.000 2.400 82 K HA -0.020 4.303 4.320 0.005 0.000 0.194 82 K C -1.429 175.140 176.600 -0.053 0.000 1.033 82 K CA 0.887 57.166 56.287 -0.012 0.000 1.021 82 K CB 0.908 33.403 32.500 -0.009 0.000 0.808 82 K HN -0.298 7.917 8.250 -0.004 0.033 0.505 83 A N -3.281 119.479 122.820 -0.100 0.000 2.435 83 A HA 0.220 4.472 4.320 -0.114 0.000 0.304 83 A C -1.834 175.635 177.584 -0.191 0.000 1.064 83 A CA -1.115 50.842 52.037 -0.134 0.000 0.727 83 A CB 2.533 21.447 19.000 -0.144 0.000 1.284 83 A HN -0.867 7.211 8.150 -0.119 0.000 0.415 84 D N 0.415 120.689 120.400 -0.210 0.000 2.240 84 D HA 0.081 4.565 4.640 -0.259 0.000 0.206 84 D C -0.376 175.738 176.300 -0.309 0.000 0.963 84 D CA 2.986 56.823 54.000 -0.271 0.000 0.863 84 D CB 2.033 42.639 40.800 -0.324 0.000 0.973 84 D HN -0.037 8.217 8.370 -0.194 0.000 0.501 85 L N -3.481 117.565 121.223 -0.294 0.000 2.409 85 L HA 0.686 5.056 4.340 -0.259 -0.186 0.262 85 L C -2.660 174.078 176.870 -0.219 0.000 0.992 85 L CA -1.535 53.142 54.840 -0.272 0.000 0.817 85 L CB 5.150 47.019 42.059 -0.318 0.000 1.350 85 L HN -0.683 7.385 8.230 -0.269 0.000 0.411 86 A N 1.147 123.854 122.820 -0.189 0.000 2.273 86 A HA 0.822 5.251 4.320 -0.168 -0.210 0.315 86 A C -1.450 176.071 177.584 -0.105 0.000 1.256 86 A CA -1.761 50.183 52.037 -0.155 0.000 0.851 86 A CB 1.883 20.794 19.000 -0.147 0.000 1.172 86 A HN 0.540 8.577 8.150 -0.187 0.000 0.508 87 V N 4.827 124.662 119.914 -0.131 0.000 2.326 87 V HA 0.370 4.468 4.120 -0.037 0.000 0.281 87 V C -2.040 173.988 176.094 -0.110 0.000 1.015 87 V CA -0.751 61.484 62.300 -0.108 0.000 0.823 87 V CB 0.624 32.339 31.823 -0.180 0.000 1.009 87 V HN -0.133 7.958 8.190 -0.166 0.000 0.436 88 A N 6.157 128.961 122.820 -0.026 0.000 2.515 88 A HA 0.363 4.623 4.320 -0.100 0.000 0.292 88 A C -2.872 174.644 177.584 -0.113 0.000 1.065 88 A CA -1.188 50.801 52.037 -0.079 0.000 0.641 88 A CB 1.698 20.626 19.000 -0.120 0.000 1.306 88 A HN 0.251 8.443 8.150 0.069 0.000 0.441 89 P HA 0.015 3.526 4.420 -1.516 0.000 0.230 89 P C -2.308 174.498 177.300 -0.824 0.000 1.791 89 P CA -0.193 62.155 63.100 -1.253 0.000 1.020 89 P CB -1.977 28.679 31.700 -1.740 0.000 1.977 90 L N 3.278 124.318 121.223 -0.305 0.000 2.262 90 L HA 0.123 4.547 4.340 0.140 0.000 0.288 90 L C -1.951 175.010 176.870 0.151 0.000 1.035 90 L CA -1.540 53.346 54.840 0.077 0.000 0.820 90 L CB 1.794 43.986 42.059 0.221 0.000 1.204 90 L HN -0.435 7.628 8.230 -0.204 0.044 0.424 91 A N 7.025 129.931 122.820 0.144 0.000 2.440 91 A HA 0.176 4.726 4.320 0.103 -0.168 0.251 91 A C -0.088 177.356 177.584 -0.233 0.000 1.089 91 A CA -0.749 51.315 52.037 0.044 0.000 0.779 91 A CB 0.483 19.488 19.000 0.008 0.000 1.022 91 A HN 0.407 8.621 8.150 0.106 0.000 0.492 92 I N 4.730 124.978 120.570 -0.536 0.000 2.363 92 I HA -0.036 2.949 4.170 -1.975 0.000 0.292 92 I C -0.652 175.190 176.117 -0.458 0.000 1.075 92 I CA 0.738 61.416 61.300 -1.037 0.000 1.333 92 I CB -0.622 36.872 38.000 -0.843 0.000 1.415 92 I HN -0.038 7.923 8.210 -0.415 0.000 0.502 93 T N 4.887 119.267 114.554 -0.290 0.000 2.906 93 T HA 0.361 4.686 4.350 -0.042 0.000 0.295 93 T C 0.326 175.069 174.700 0.072 0.000 1.075 93 T CA -2.886 59.193 62.100 -0.035 0.000 1.005 93 T CB 2.814 71.721 68.868 0.064 0.000 1.136 93 T HN -0.338 7.714 8.240 -0.313 0.000 0.498 94 Y N 3.523 123.829 120.300 0.011 0.000 2.081 94 Y HA -0.430 4.138 4.550 0.030 0.000 0.280 94 Y C 0.900 176.859 175.900 0.099 0.000 1.163 94 Y CA 3.649 61.774 58.100 0.041 0.000 1.135 94 Y CB -0.559 37.917 38.460 0.027 0.000 0.970 94 Y HN 0.369 8.800 8.280 0.252 0.000 0.498 95 V N -7.104 112.949 119.914 0.232 0.000 2.515 95 V HA -0.275 4.073 4.120 0.103 -0.166 0.250 95 V C 0.770 177.003 176.094 0.231 0.000 1.058 95 V CA 2.207 64.649 62.300 0.237 0.000 1.064 95 V CB -0.231 31.816 31.823 0.373 0.000 0.675 95 V HN -0.395 7.990 8.190 0.325 0.000 0.461 96 R N -1.211 119.412 120.500 0.204 0.000 2.090 96 R HA -0.223 3.974 4.340 -0.238 0.000 0.228 96 R C 2.107 178.436 176.300 0.049 0.000 1.110 96 R CA 3.223 59.356 56.100 0.054 0.000 0.973 96 R CB 0.093 30.557 30.300 0.273 0.000 0.869 96 R HN -0.894 7.517 8.270 0.234 0.000 0.440 97 E N -0.635 119.643 120.200 0.129 0.000 2.338 97 E HA -0.168 4.449 4.350 0.205 -0.144 0.197 97 E C 1.351 177.905 176.600 -0.077 0.000 1.007 97 E CA 1.785 58.243 56.400 0.096 0.000 0.849 97 E CB -0.376 29.366 29.700 0.069 0.000 0.774 97 E HN -0.308 8.118 8.360 0.111 0.000 0.506 98 E N -2.721 117.382 120.200 -0.162 0.000 2.268 98 E HA -0.200 4.047 4.350 -0.173 0.000 0.195 98 E C 1.376 177.906 176.600 -0.117 0.000 0.995 98 E CA 2.387 58.687 56.400 -0.166 0.000 0.836 98 E CB 0.508 30.101 29.700 -0.180 0.000 0.763 98 E HN -0.615 7.613 8.360 -0.172 0.029 0.491 99 V N -8.825 110.985 119.914 -0.173 0.000 3.539 99 V HA 0.193 4.221 4.120 -0.153 0.000 0.262 99 V C -0.963 174.964 176.094 -0.278 0.000 1.381 99 V CA 0.375 62.534 62.300 -0.234 0.000 1.060 99 V CB 2.401 33.985 31.823 -0.398 0.000 0.842 99 V HN -0.526 7.397 8.190 -0.198 0.148 0.445 100 I N -5.215 115.168 120.570 -0.312 0.000 3.206 100 I HA 0.316 4.313 4.170 -0.287 0.000 0.313 100 I C -2.345 173.600 176.117 -0.286 0.000 1.103 100 I CA -2.209 58.883 61.300 -0.346 0.000 0.985 100 I CB 2.968 40.663 38.000 -0.509 0.000 1.240 100 I HN -0.384 7.646 8.210 -0.299 0.000 0.464 101 D N -0.828 119.390 120.400 -0.302 0.000 2.228 101 D HA 0.689 5.454 4.640 -0.074 -0.170 0.247 101 D C -0.827 175.283 176.300 -0.316 0.000 0.995 101 D CA -1.595 52.298 54.000 -0.179 0.000 0.903 101 D CB 3.778 44.522 40.800 -0.093 0.000 1.205 101 D HN -0.208 7.971 8.370 -0.319 0.000 0.459 102 F N -1.284 118.640 119.950 -0.043 0.000 2.565 102 F HA 0.605 5.319 4.527 -0.017 -0.197 0.313 102 F C 0.393 176.195 175.800 0.004 0.000 1.091 102 F CA -1.490 56.498 58.000 -0.020 0.000 0.915 102 F CB 4.637 43.624 39.000 -0.022 0.000 1.208 102 F HN -0.424 8.188 8.300 0.252 -0.161 0.453 103 S N 2.680 118.523 115.700 0.237 0.000 2.587 103 S HA 0.059 4.611 4.470 0.137 0.000 0.260 103 S C 0.627 175.321 174.600 0.157 0.000 1.353 103 S CA -0.270 58.037 58.200 0.178 0.000 0.995 103 S CB 0.860 64.171 63.200 0.185 0.000 0.912 103 S HN 0.400 8.845 8.310 0.226 0.000 0.568 104 K N 0.643 121.106 120.400 0.106 0.000 2.336 104 K HA -0.010 4.330 4.320 0.033 0.000 0.262 104 K C -1.388 175.250 176.600 0.064 0.000 0.992 104 K CA -0.341 55.983 56.287 0.061 0.000 0.927 104 K CB -0.890 31.639 32.500 0.048 0.000 0.956 104 K HN -0.152 8.158 8.250 0.100 0.000 0.495 105 P HA 0.124 4.670 4.420 -0.152 -0.218 0.275 105 P C -0.736 176.579 177.300 0.026 0.000 1.227 105 P CA -0.431 62.616 63.100 -0.088 0.000 0.781 105 P CB 0.421 32.023 31.700 -0.163 0.000 0.906 106 F N -1.360 118.655 119.950 0.107 0.000 2.754 106 F HA 0.246 4.841 4.527 0.113 0.000 0.297 106 F C -0.841 175.044 175.800 0.142 0.000 1.122 106 F CA -0.887 57.200 58.000 0.145 0.000 1.400 106 F CB 0.903 40.031 39.000 0.213 0.000 1.117 106 F HN -0.163 7.926 8.300 -0.350 0.000 0.587 107 M N -1.663 117.852 119.600 -0.141 0.000 2.421 107 M HA 0.322 4.782 4.480 -0.033 0.000 0.287 107 M C -2.544 173.566 176.300 -0.315 0.000 1.183 107 M CA -0.079 55.140 55.300 -0.136 0.000 0.916 107 M CB 3.794 36.359 32.600 -0.057 0.000 1.701 107 M HN -0.809 7.243 8.290 -0.397 0.000 0.470 108 T N 6.271 120.665 114.554 -0.266 0.000 2.863 108 T HA 0.804 5.082 4.350 -0.354 -0.140 0.285 108 T C -1.149 173.366 174.700 -0.309 0.000 1.009 108 T CA -0.908 61.018 62.100 -0.291 0.000 0.989 108 T CB 1.177 69.933 68.868 -0.187 0.000 1.004 108 T HN -0.027 8.091 8.240 -0.204 0.000 0.455 109 L N -1.510 119.509 121.223 -0.341 0.000 2.963 109 L HA 0.681 4.877 4.340 -0.240 0.000 0.273 109 L C -2.542 174.163 176.870 -0.275 0.000 1.078 109 L CA -0.984 53.668 54.840 -0.314 0.000 0.970 109 L CB 2.110 43.903 42.059 -0.443 0.000 1.564 109 L HN 0.397 8.424 8.230 -0.338 0.000 0.381 110 G N -4.228 104.429 108.800 -0.238 0.000 2.646 110 G HA2 0.604 4.471 3.960 -0.290 0.000 0.291 110 G HA3 0.604 4.582 3.960 -0.237 -0.159 0.291 110 G C -2.350 172.410 174.900 -0.234 0.000 1.445 110 G CA -0.280 44.668 45.100 -0.253 0.000 0.814 110 G HN -0.375 7.792 8.290 -0.205 0.000 0.495 111 I N -0.343 120.044 120.570 -0.304 0.000 2.648 111 I HA -0.096 4.076 4.170 -0.201 -0.122 0.284 111 I C -1.293 174.709 176.117 -0.193 0.000 1.153 111 I CA 1.942 63.084 61.300 -0.265 0.000 1.426 111 I CB 0.019 37.776 38.000 -0.405 0.000 1.381 111 I HN 0.168 8.481 8.210 -0.393 -0.338 0.571 112 S N 4.181 119.813 115.700 -0.114 0.000 2.903 112 S HA 0.556 4.978 4.470 -0.080 0.000 0.314 112 S C -1.931 172.643 174.600 -0.043 0.000 1.177 112 S CA -2.542 55.617 58.200 -0.069 0.000 0.859 112 S CB 2.971 66.147 63.200 -0.039 0.000 1.265 112 S HN 0.445 8.695 8.310 -0.099 0.000 0.584 113 I N -0.085 120.479 120.570 -0.011 0.000 2.465 113 I HA 0.346 4.663 4.170 -0.020 -0.159 0.291 113 I C -1.868 174.297 176.117 0.080 0.000 1.014 113 I CA -0.854 60.448 61.300 0.002 0.000 1.093 113 I CB 3.171 41.152 38.000 -0.033 0.000 1.267 113 I HN -0.000 8.209 8.210 -0.001 0.000 0.431 114 L N 7.888 129.198 121.223 0.146 0.000 2.282 114 L HA 0.718 5.339 4.340 0.192 -0.166 0.288 114 L C -2.490 174.564 176.870 0.306 0.000 1.033 114 L CA -1.433 53.541 54.840 0.224 0.000 0.807 114 L CB 2.469 44.703 42.059 0.292 0.000 1.209 114 L HN 0.421 8.738 8.230 0.145 0.000 0.423 115 Y N 6.705 127.061 120.300 0.093 0.000 2.744 115 Y HA 0.384 4.996 4.550 0.104 0.000 0.330 115 Y C -1.933 174.009 175.900 0.071 0.000 1.263 115 Y CA -2.115 56.034 58.100 0.082 0.000 1.065 115 Y CB 3.666 42.154 38.460 0.047 0.000 1.306 115 Y HN 0.417 8.856 8.280 0.264 0.000 0.459 116 R N 0.305 120.497 120.500 -0.514 0.000 2.679 116 R HA 0.244 4.611 4.340 -0.195 -0.144 0.269 116 R C 0.091 176.226 176.300 -0.275 0.000 1.076 116 R CA 0.350 56.212 56.100 -0.395 0.000 1.160 116 R CB 0.935 30.934 30.300 -0.501 0.000 1.054 116 R HN 0.367 7.926 8.270 -1.186 0.000 0.507 117 K N 1.384 121.703 120.400 -0.135 0.000 2.107 117 K HA -0.057 4.244 4.320 -0.032 0.000 0.251 117 K C 0.824 177.381 176.600 -0.072 0.000 1.012 117 K CA 1.026 57.274 56.287 -0.064 0.000 0.920 117 K CB 0.225 32.706 32.500 -0.032 0.000 1.033 117 K HN -0.348 7.834 8.250 -0.114 0.000 0.478 118 G N -1.083 107.702 108.800 -0.025 0.000 2.176 118 G HA2 -0.270 3.688 3.960 -0.004 0.000 0.232 118 G HA3 -0.270 3.675 3.960 -0.025 0.000 0.232 118 G C -0.502 174.400 174.900 0.005 0.000 0.986 118 G CA -0.398 44.694 45.100 -0.014 0.000 0.643 118 G HN 0.492 8.778 8.290 -0.006 0.000 0.522 119 T N -1.286 113.285 114.554 0.028 0.000 2.948 119 T HA 0.487 4.871 4.350 0.058 0.000 0.285 119 T C -1.600 173.150 174.700 0.083 0.000 1.019 119 T CA -3.498 58.648 62.100 0.076 0.000 1.013 119 T CB 1.520 70.491 68.868 0.172 0.000 1.117 119 T HN -0.624 7.635 8.240 0.030 0.000 0.533 120 P HA 0.180 4.627 4.420 0.044 0.000 0.249 120 P C -1.050 176.281 177.300 0.053 0.000 1.229 120 P CA -0.257 62.876 63.100 0.054 0.000 0.788 120 P CB 0.203 31.927 31.700 0.039 0.000 1.072 121 I N 0.477 121.098 120.570 0.086 0.000 2.452 121 I HA -0.282 3.890 4.170 0.004 0.000 0.287 121 I C -1.022 175.118 176.117 0.040 0.000 1.079 121 I CA -0.719 60.606 61.300 0.041 0.000 1.387 121 I CB -1.106 36.906 38.000 0.019 0.000 1.404 121 I HN -0.692 7.534 8.210 0.136 0.065 0.522 122 D N 5.350 125.754 120.400 0.006 0.000 2.520 122 D HA 0.096 4.752 4.640 0.026 0.000 0.223 122 D C -1.711 174.587 176.300 -0.003 0.000 1.186 122 D CA -0.290 53.717 54.000 0.011 0.000 0.821 122 D CB 2.739 43.546 40.800 0.012 0.000 1.072 122 D HN 0.306 8.992 8.370 -0.010 -0.322 0.518 123 S N -5.984 109.700 115.700 -0.026 0.000 2.587 123 S HA 0.245 4.708 4.470 -0.011 0.000 0.269 123 S C -0.481 174.085 174.600 -0.056 0.000 1.154 123 S CA -1.618 56.568 58.200 -0.023 0.000 0.824 123 S CB 2.891 66.085 63.200 -0.011 0.000 1.118 123 S HN -1.043 7.241 8.310 -0.043 0.000 0.462 124 A N 1.523 124.333 122.820 -0.016 0.000 1.940 124 A HA -0.363 3.884 4.320 -0.121 0.000 0.219 124 A C 1.131 178.678 177.584 -0.063 0.000 1.176 124 A CA 3.013 55.037 52.037 -0.022 0.000 0.631 124 A CB -0.300 18.817 19.000 0.196 0.000 0.814 124 A HN 0.645 8.811 8.150 0.026 0.000 0.446 125 D N -2.782 117.600 120.400 -0.031 0.000 2.149 125 D HA -0.315 4.289 4.640 -0.060 0.000 0.198 125 D C 1.573 177.822 176.300 -0.084 0.000 0.990 125 D CA 3.042 57.007 54.000 -0.058 0.000 0.839 125 D CB -0.090 40.682 40.800 -0.048 0.000 0.948 125 D HN -0.087 8.269 8.370 -0.007 0.010 0.460 126 D N -0.756 119.591 120.400 -0.088 0.000 2.144 126 D HA -0.195 4.401 4.640 -0.073 0.000 0.199 126 D C 1.843 178.053 176.300 -0.150 0.000 0.984 126 D CA 2.824 56.767 54.000 -0.095 0.000 0.834 126 D CB -0.262 40.493 40.800 -0.076 0.000 0.955 126 D HN -0.617 7.703 8.370 -0.077 0.004 0.465 127 L N -0.932 120.145 121.223 -0.244 0.000 2.072 127 L HA -0.259 3.897 4.340 -0.307 0.000 0.205 127 L C 1.990 178.653 176.870 -0.346 0.000 1.079 127 L CA 2.711 57.319 54.840 -0.386 0.000 0.752 127 L CB -0.345 41.284 42.059 -0.718 0.000 0.906 127 L HN -0.859 7.141 8.230 -0.245 0.083 0.436 128 A N -1.594 121.052 122.820 -0.290 0.000 1.972 128 A HA -0.196 4.032 4.320 -0.153 0.000 0.219 128 A C 0.724 178.270 177.584 -0.063 0.000 1.169 128 A CA 2.414 54.361 52.037 -0.150 0.000 0.635 128 A CB -0.021 18.939 19.000 -0.067 0.000 0.810 128 A HN -0.164 7.831 8.150 -0.259 0.000 0.446 129 K N -4.152 116.206 120.400 -0.070 0.000 2.505 129 K HA -0.051 4.258 4.320 -0.019 0.000 0.192 129 K C -0.163 176.421 176.600 -0.028 0.000 1.025 129 K CA 0.403 56.669 56.287 -0.036 0.000 1.086 129 K CB -0.362 32.118 32.500 -0.034 0.000 0.840 129 K HN -0.646 7.530 8.250 -0.090 0.020 0.514 130 Q N -1.021 118.752 119.800 -0.045 0.000 2.615 130 Q HA 0.229 4.564 4.340 -0.009 0.000 0.298 130 Q C -1.522 174.446 176.000 -0.053 0.000 1.023 130 Q CA -0.824 54.960 55.803 -0.031 0.000 0.768 130 Q CB 1.584 30.304 28.738 -0.031 0.000 1.500 130 Q HN -0.551 7.614 8.270 -0.068 0.065 0.441 131 T N -8.803 105.745 114.554 -0.010 0.000 3.087 131 T HA 0.211 4.480 4.350 -0.135 0.000 0.283 131 T C 0.693 175.437 174.700 0.073 0.000 0.956 131 T CA -0.643 61.470 62.100 0.022 0.000 0.894 131 T CB 1.315 70.296 68.868 0.189 0.000 1.160 131 T HN -0.097 8.152 8.240 0.014 0.000 0.532 132 K N 2.714 123.144 120.400 0.050 0.000 2.097 132 K HA -0.159 4.210 4.320 0.082 0.000 0.205 132 K C 0.161 176.813 176.600 0.087 0.000 1.050 132 K CA 2.027 58.356 56.287 0.070 0.000 0.938 132 K CB 0.242 32.777 32.500 0.058 0.000 0.718 132 K HN -0.384 7.951 8.250 0.033 -0.065 0.442 133 I N 0.511 121.115 120.570 0.057 0.000 2.301 133 I HA -0.086 4.288 4.170 0.128 -0.127 0.292 133 I C -0.636 175.509 176.117 0.047 0.000 1.046 133 I CA -0.117 61.224 61.300 0.068 0.000 1.282 133 I CB 0.019 38.009 38.000 -0.016 0.000 1.409 133 I HN -0.312 8.289 8.210 0.026 -0.376 0.484 134 E N 7.275 127.555 120.200 0.134 0.000 2.371 134 E HA 0.019 4.387 4.350 0.031 0.000 0.257 134 E C -1.499 175.082 176.600 -0.032 0.000 1.134 134 E CA -0.436 56.047 56.400 0.139 0.000 0.919 134 E CB 2.037 31.950 29.700 0.356 0.000 1.025 134 E HN -0.184 8.294 8.360 0.196 0.000 0.438 135 Y N -5.606 114.649 120.300 -0.075 0.000 2.609 135 Y HA 1.047 5.246 4.550 -0.929 -0.206 0.336 135 Y C -1.552 174.289 175.900 -0.098 0.000 1.129 135 Y CA -2.140 55.709 58.100 -0.418 0.000 1.040 135 Y CB 3.388 41.606 38.460 -0.403 0.000 1.310 135 Y HN -0.026 8.086 8.280 -0.280 0.000 0.460 136 G N -3.075 105.741 108.800 0.027 0.000 2.494 136 G HA2 0.458 4.525 3.960 0.178 0.000 0.308 136 G HA3 0.458 4.907 3.960 0.410 -0.244 0.308 136 G C -3.411 171.608 174.900 0.198 0.000 1.263 136 G CA 0.109 45.354 45.100 0.243 0.000 0.840 136 G HN -0.371 7.854 8.290 -0.109 0.000 0.479 137 A N -3.334 119.659 122.820 0.288 0.000 2.586 137 A HA 0.663 4.749 4.320 -0.389 0.000 0.290 137 A C -2.017 175.758 177.584 0.318 0.000 1.086 137 A CA -0.917 51.154 52.037 0.056 0.000 0.665 137 A CB 3.162 22.176 19.000 0.023 0.000 1.279 137 A HN -0.472 7.911 8.150 0.390 0.000 0.423 138 V N 0.156 120.220 119.914 0.250 0.000 2.529 138 V HA -0.151 4.356 4.120 0.362 -0.171 0.292 138 V C 0.048 176.276 176.094 0.222 0.000 1.028 138 V CA 0.735 63.210 62.300 0.290 0.000 1.074 138 V CB 0.146 32.110 31.823 0.235 0.000 0.958 138 V HN 0.582 8.830 8.190 0.096 0.000 0.481 139 E N 8.828 129.160 120.200 0.221 0.000 2.414 139 E HA -0.410 4.065 4.350 0.208 0.000 0.263 139 E C -0.310 176.397 176.600 0.179 0.000 1.000 139 E CA 1.484 58.001 56.400 0.194 0.000 0.914 139 E CB 0.574 30.373 29.700 0.165 0.000 0.948 139 E HN 0.058 8.553 8.360 0.225 0.000 0.444 140 D N 2.255 122.750 120.400 0.159 0.000 2.945 140 D HA -0.291 4.417 4.640 0.113 0.000 0.225 140 D C -0.939 175.465 176.300 0.174 0.000 1.158 140 D CA 1.922 56.008 54.000 0.143 0.000 0.805 140 D CB -1.055 39.827 40.800 0.136 0.000 1.098 140 D HN -0.208 8.258 8.370 0.160 0.000 0.426 141 G N -4.235 104.650 108.800 0.142 0.000 2.820 141 G HA2 0.360 4.398 3.960 0.129 0.000 0.291 141 G HA3 0.360 4.330 3.960 0.017 0.000 0.291 141 G C -1.051 173.887 174.900 0.064 0.000 1.323 141 G CA -1.510 43.642 45.100 0.087 0.000 1.055 141 G HN -0.957 7.375 8.290 0.135 0.039 0.520 142 A N -1.320 121.510 122.820 0.017 0.000 1.969 142 A HA -0.262 4.102 4.320 0.073 0.000 0.218 142 A C 2.163 179.774 177.584 0.044 0.000 1.169 142 A CA 3.188 55.247 52.037 0.036 0.000 0.635 142 A CB -0.608 18.392 19.000 0.001 0.000 0.810 142 A HN 0.598 8.720 8.150 -0.046 0.000 0.445 143 T N 1.842 116.413 114.554 0.027 0.000 2.708 143 T HA -0.434 3.955 4.350 0.065 0.000 0.266 143 T C 1.608 176.469 174.700 0.268 0.000 1.037 143 T CA 5.012 67.172 62.100 0.099 0.000 1.146 143 T CB -0.283 68.601 68.868 0.027 0.000 0.865 143 T HN -0.151 8.081 8.240 -0.013 0.000 0.435 144 M N 2.127 121.841 119.600 0.190 0.000 2.080 144 M HA -0.405 4.265 4.480 0.316 0.000 0.260 144 M C 1.455 177.764 176.300 0.014 0.000 1.068 144 M CA 4.321 59.739 55.300 0.196 0.000 1.109 144 M CB -0.150 32.557 32.600 0.177 0.000 1.342 144 M HN 0.045 8.416 8.290 0.134 0.000 0.405 145 T N 1.267 115.817 114.554 -0.007 0.000 2.867 145 T HA -0.443 3.773 4.350 -0.225 0.000 0.268 145 T C 1.384 176.012 174.700 -0.120 0.000 1.057 145 T CA 4.691 66.729 62.100 -0.104 0.000 1.136 145 T CB -0.281 68.577 68.868 -0.017 0.000 0.874 145 T HN -0.452 7.814 8.240 0.043 0.000 0.466 146 F N 3.351 123.201 119.950 -0.166 0.000 2.095 146 F HA -0.505 3.878 4.527 -0.240 0.000 0.298 146 F C 0.902 176.489 175.800 -0.355 0.000 1.104 146 F CA 4.003 61.839 58.000 -0.274 0.000 1.232 146 F CB 0.094 38.877 39.000 -0.362 0.000 0.987 146 F HN -0.341 8.054 8.300 0.159 0.000 0.475 147 F N -3.117 116.735 119.950 -0.164 0.000 2.146 147 F HA -0.439 3.954 4.527 -0.223 0.000 0.298 147 F C 2.681 178.182 175.800 -0.500 0.000 1.096 147 F CA 3.788 61.675 58.000 -0.188 0.000 1.275 147 F CB -0.182 38.934 39.000 0.194 0.000 1.008 147 F HN -0.585 7.850 8.300 0.225 0.000 0.480 148 K N -1.211 118.680 120.400 -0.848 0.000 2.103 148 K HA -0.334 2.446 4.320 -2.567 0.000 0.207 148 K C 1.147 177.350 176.600 -0.662 0.000 1.048 148 K CA 2.634 58.047 56.287 -1.457 0.000 0.930 148 K CB -0.123 31.583 32.500 -1.323 0.000 0.716 148 K HN -0.153 7.658 8.250 -0.732 0.000 0.444 149 K N -4.797 115.323 120.400 -0.466 0.000 2.367 149 K HA 0.064 4.229 4.320 -0.258 0.000 0.194 149 K C -0.672 175.742 176.600 -0.309 0.000 1.027 149 K CA -0.116 55.982 56.287 -0.315 0.000 1.075 149 K CB 0.384 32.739 32.500 -0.241 0.000 0.845 149 K HN -0.520 7.446 8.250 -0.472 0.000 0.529 150 S N 0.334 115.789 115.700 -0.408 0.000 2.549 150 S HA -0.104 4.111 4.470 -0.425 0.000 0.283 150 S C 0.166 174.665 174.600 -0.169 0.000 1.320 150 S CA 0.281 58.249 58.200 -0.387 0.000 1.058 150 S CB 0.882 63.771 63.200 -0.518 0.000 0.882 150 S HN -0.764 7.268 8.310 -0.463 0.000 0.498 151 K N 3.880 124.197 120.400 -0.138 0.000 2.358 151 K HA 0.132 4.419 4.320 -0.056 0.000 0.197 151 K C -0.085 176.476 176.600 -0.064 0.000 1.025 151 K CA -0.863 55.378 56.287 -0.077 0.000 1.104 151 K CB 0.137 32.592 32.500 -0.075 0.000 0.855 151 K HN 0.092 8.245 8.250 -0.161 0.000 0.531 152 I N 2.264 122.790 120.570 -0.074 0.000 2.556 152 I HA -0.090 4.014 4.170 -0.109 0.000 0.284 152 I C 1.231 177.267 176.117 -0.136 0.000 1.114 152 I CA -0.430 60.799 61.300 -0.118 0.000 1.418 152 I CB -0.361 37.547 38.000 -0.153 0.000 1.394 152 I HN -0.762 7.354 8.210 -0.077 0.048 0.552 153 S N 9.425 125.045 115.700 -0.133 0.000 2.359 153 S HA -0.335 4.112 4.470 -0.038 0.000 0.224 153 S C 1.953 176.501 174.600 -0.087 0.000 1.035 153 S CA 3.712 61.862 58.200 -0.082 0.000 1.018 153 S CB -1.192 61.965 63.200 -0.071 0.000 0.876 153 S HN 0.509 8.738 8.310 -0.135 0.000 0.448 154 T N 4.185 118.608 114.554 -0.219 0.000 2.720 154 T HA -0.289 4.011 4.350 -0.083 0.000 0.268 154 T C 1.611 176.326 174.700 0.026 0.000 1.037 154 T CA 4.564 66.551 62.100 -0.189 0.000 1.144 154 T CB -0.221 68.429 68.868 -0.364 0.000 0.864 154 T HN 0.013 8.068 8.240 -0.307 0.000 0.444 155 Y N -0.861 119.521 120.300 0.137 0.000 2.337 155 Y HA -0.123 4.711 4.550 0.473 0.000 0.293 155 Y C 1.604 177.690 175.900 0.310 0.000 1.123 155 Y CA -0.415 57.846 58.100 0.269 0.000 1.201 155 Y CB -1.140 37.323 38.460 0.005 0.000 1.011 155 Y HN -0.680 7.393 8.280 -0.345 0.000 0.545 156 D N 0.336 120.903 120.400 0.278 0.000 2.117 156 D HA -0.416 4.415 4.640 0.317 0.000 0.197 156 D C 1.773 178.242 176.300 0.282 0.000 0.987 156 D CA 3.848 58.004 54.000 0.259 0.000 0.829 156 D CB -0.058 40.817 40.800 0.125 0.000 0.961 156 D HN -0.013 8.455 8.370 0.164 0.000 0.460 157 K N -0.349 120.178 120.400 0.212 0.000 2.057 157 K HA -0.307 4.112 4.320 0.166 0.000 0.207 157 K C 2.500 179.263 176.600 0.272 0.000 1.049 157 K CA 2.982 59.383 56.287 0.190 0.000 0.931 157 K CB -0.089 32.482 32.500 0.118 0.000 0.714 157 K HN -0.466 7.884 8.250 0.167 0.000 0.440 158 M N -0.649 119.155 119.600 0.340 0.000 2.117 158 M HA -0.351 4.417 4.480 0.479 0.000 0.262 158 M C 2.063 178.628 176.300 0.442 0.000 1.065 158 M CA 3.699 59.250 55.300 0.418 0.000 1.114 158 M CB 0.218 32.999 32.600 0.302 0.000 1.361 158 M HN -0.544 7.951 8.290 0.342 0.000 0.408 159 W N -0.235 121.242 121.300 0.295 0.000 2.355 159 W HA -0.500 4.276 4.660 0.194 0.000 0.309 159 W C 1.083 177.699 176.519 0.162 0.000 1.206 159 W CA 2.983 60.462 57.345 0.224 0.000 1.284 159 W CB 0.478 30.075 29.460 0.228 0.000 1.145 159 W HN 0.007 8.586 8.180 0.665 0.000 0.502 160 A N -1.529 121.292 122.820 0.002 0.000 1.908 160 A HA -0.421 3.726 4.320 -0.290 0.000 0.218 160 A C 1.728 179.212 177.584 -0.167 0.000 1.181 160 A CA 3.089 55.045 52.037 -0.136 0.000 0.627 160 A CB -1.270 17.749 19.000 0.031 0.000 0.818 160 A HN -0.268 8.005 8.150 0.204 0.000 0.445 161 F N 0.192 120.044 119.950 -0.164 0.000 2.084 161 F HA -0.290 4.122 4.527 -0.192 0.000 0.296 161 F C 2.012 177.609 175.800 -0.338 0.000 1.111 161 F CA 3.532 61.403 58.000 -0.215 0.000 1.224 161 F CB 0.473 39.371 39.000 -0.169 0.000 0.991 161 F HN -0.706 7.734 8.300 0.233 0.000 0.471 162 M N -0.876 118.621 119.600 -0.172 0.000 2.117 162 M HA -0.550 3.772 4.480 -0.263 0.000 0.262 162 M C 1.820 177.784 176.300 -0.561 0.000 1.065 162 M CA 3.880 58.992 55.300 -0.313 0.000 1.114 162 M CB 0.087 32.610 32.600 -0.128 0.000 1.361 162 M HN -0.096 8.201 8.290 0.011 0.000 0.408 163 S N -1.671 113.483 115.700 -0.911 0.000 2.356 163 S HA -0.248 3.765 4.470 -0.762 0.000 0.223 163 S C 2.848 177.165 174.600 -0.471 0.000 1.032 163 S CA 3.369 61.063 58.200 -0.842 0.000 1.005 163 S CB -0.123 62.418 63.200 -1.098 0.000 0.867 163 S HN 0.082 7.748 8.310 -1.072 0.000 0.449 164 S N 3.376 118.810 115.700 -0.443 0.000 2.382 164 S HA -0.219 4.091 4.470 -0.268 0.000 0.228 164 S C 1.659 176.046 174.600 -0.355 0.000 1.027 164 S CA 2.732 60.726 58.200 -0.343 0.000 0.991 164 S CB -0.111 62.898 63.200 -0.318 0.000 0.823 164 S HN -0.306 7.721 8.310 -0.473 0.000 0.469 165 R N -0.169 120.042 120.500 -0.482 0.000 2.466 165 R HA 0.274 4.415 4.340 -0.332 0.000 0.279 165 R C 0.837 176.978 176.300 -0.265 0.000 0.976 165 R CA -0.896 54.952 56.100 -0.420 0.000 1.081 165 R CB -0.190 29.713 30.300 -0.663 0.000 1.215 165 R HN -0.525 7.392 8.270 -0.588 0.000 0.546 166 R N -0.338 120.027 120.500 -0.225 0.000 2.105 166 R HA -0.330 3.992 4.340 -0.108 -0.047 0.239 166 R C 1.765 178.031 176.300 -0.058 0.000 1.135 166 R CA 3.248 59.273 56.100 -0.124 0.000 0.967 166 R CB -0.782 29.453 30.300 -0.109 0.000 0.861 166 R HN -0.837 7.220 8.270 -0.250 0.063 0.442 167 Q N -1.856 117.903 119.800 -0.069 0.000 2.226 167 Q HA -0.210 4.118 4.340 -0.021 0.000 0.204 167 Q C 1.144 177.122 176.000 -0.036 0.000 0.975 167 Q CA 1.916 57.695 55.803 -0.040 0.000 0.866 167 Q CB -1.045 27.665 28.738 -0.046 0.000 0.915 167 Q HN 0.338 8.554 8.270 -0.090 0.000 0.440 168 S N -2.566 113.103 115.700 -0.052 0.000 2.468 168 S HA -0.059 4.385 4.470 -0.045 0.000 0.226 168 S C 1.477 176.073 174.600 -0.007 0.000 1.051 168 S CA 1.332 59.506 58.200 -0.043 0.000 0.943 168 S CB 0.703 63.870 63.200 -0.055 0.000 0.810 168 S HN -0.397 7.844 8.310 -0.076 0.024 0.509 169 V N -5.349 114.587 119.914 0.037 0.000 3.565 169 V HA 0.216 4.495 4.120 0.265 0.000 0.260 169 V C -1.092 175.156 176.094 0.256 0.000 1.231 169 V CA -0.127 62.297 62.300 0.206 0.000 1.100 169 V CB 1.305 33.261 31.823 0.222 0.000 0.807 169 V HN -0.584 7.599 8.190 -0.011 0.000 0.454 170 L N 0.201 121.516 121.223 0.153 0.000 2.312 170 L HA 0.343 5.032 4.340 0.279 -0.182 0.281 170 L C -0.027 176.944 176.870 0.168 0.000 1.070 170 L CA -0.315 54.644 54.840 0.199 0.000 0.805 170 L CB 0.727 42.886 42.059 0.167 0.000 1.174 170 L HN -0.732 7.550 8.230 0.086 0.000 0.434 171 V N -6.283 113.764 119.914 0.222 0.000 3.113 171 V HA 0.487 4.664 4.120 0.094 0.000 0.316 171 V C -0.379 175.815 176.094 0.166 0.000 1.125 171 V CA -3.341 59.050 62.300 0.151 0.000 1.026 171 V CB 3.485 35.371 31.823 0.105 0.000 1.080 171 V HN 0.038 8.406 8.190 0.297 0.000 0.444 172 K N -1.174 119.297 120.400 0.118 0.000 2.400 172 K HA 0.056 4.462 4.320 0.143 0.000 0.194 172 K C -0.577 176.119 176.600 0.160 0.000 1.033 172 K CA 0.042 56.406 56.287 0.129 0.000 1.021 172 K CB 0.828 33.381 32.500 0.088 0.000 0.808 172 K HN 0.173 9.084 8.250 0.084 -0.611 0.505 173 S N -6.412 109.385 115.700 0.162 0.000 2.588 173 S HA 0.137 4.754 4.470 0.244 0.000 0.269 173 S C -0.520 174.199 174.600 0.199 0.000 1.157 173 S CA -1.738 56.576 58.200 0.190 0.000 0.824 173 S CB 3.242 66.521 63.200 0.132 0.000 1.126 173 S HN -0.828 7.564 8.310 0.136 0.000 0.464 174 N N 1.724 120.577 118.700 0.254 0.000 2.149 174 N HA -0.410 4.605 4.740 0.457 0.000 0.188 174 N C 1.574 177.134 175.510 0.083 0.000 1.019 174 N CA 3.499 56.719 53.050 0.284 0.000 0.857 174 N CB -0.308 38.363 38.487 0.307 0.000 0.997 174 N HN 0.659 9.197 8.380 0.263 0.000 0.426 175 E N 0.322 120.567 120.200 0.074 0.000 2.085 175 E HA -0.409 3.967 4.350 0.042 0.000 0.194 175 E C 1.782 178.354 176.600 -0.046 0.000 0.994 175 E CA 3.438 59.856 56.400 0.030 0.000 0.801 175 E CB -0.264 29.465 29.700 0.048 0.000 0.743 175 E HN 0.073 8.494 8.360 0.101 0.000 0.453 176 E N -0.845 119.319 120.200 -0.061 0.000 2.106 176 E HA -0.264 4.029 4.350 -0.096 0.000 0.192 176 E C 2.321 178.757 176.600 -0.272 0.000 0.984 176 E CA 2.252 58.583 56.400 -0.116 0.000 0.806 176 E CB -0.239 29.424 29.700 -0.063 0.000 0.750 176 E HN -0.696 7.653 8.360 -0.018 0.000 0.458 177 G N -0.513 107.988 108.800 -0.499 0.000 2.418 177 G HA2 -0.267 3.156 3.960 -0.895 0.000 0.217 177 G HA3 -0.267 2.211 3.960 -2.471 0.000 0.217 177 G C 1.270 175.779 174.900 -0.651 0.000 1.158 177 G CA 1.946 46.356 45.100 -1.150 0.000 0.771 177 G HN -0.526 7.435 8.290 -0.414 0.080 0.545 178 I N 2.074 122.432 120.570 -0.354 0.000 2.208 178 I HA -0.615 3.546 4.170 -0.015 0.000 0.245 178 I C 1.577 177.656 176.117 -0.065 0.000 1.097 178 I CA 4.019 65.268 61.300 -0.084 0.000 1.363 178 I CB -0.152 37.853 38.000 0.008 0.000 1.051 178 I HN -0.236 7.783 8.210 -0.317 0.000 0.413 179 Q N -0.738 119.001 119.800 -0.101 0.000 2.096 179 Q HA -0.395 3.918 4.340 -0.045 0.000 0.204 179 Q C 2.638 178.576 176.000 -0.104 0.000 0.982 179 Q CA 3.684 59.439 55.803 -0.080 0.000 0.850 179 Q CB -0.242 28.447 28.738 -0.081 0.000 0.901 179 Q HN -0.446 7.750 8.270 -0.123 0.000 0.422 180 R N -0.946 119.433 120.500 -0.201 0.000 2.075 180 R HA -0.235 3.957 4.340 -0.248 0.000 0.232 180 R C 2.635 178.909 176.300 -0.043 0.000 1.126 180 R CA 2.543 58.470 56.100 -0.289 0.000 0.963 180 R CB -0.236 29.581 30.300 -0.807 0.000 0.858 180 R HN -0.504 7.531 8.270 -0.258 0.080 0.435 181 V N 0.547 120.544 119.914 0.138 0.000 2.392 181 V HA -0.410 4.122 4.120 0.410 -0.166 0.249 181 V C 2.075 178.245 176.094 0.127 0.000 1.059 181 V CA 4.008 66.467 62.300 0.266 0.000 1.051 181 V CB -0.167 31.820 31.823 0.273 0.000 0.658 181 V HN -0.347 7.899 8.190 0.093 0.000 0.455 182 L N -4.546 116.711 121.223 0.055 0.000 2.418 182 L HA -0.145 4.210 4.340 0.026 0.000 0.218 182 L C 1.691 178.570 176.870 0.015 0.000 1.125 182 L CA 2.355 57.211 54.840 0.026 0.000 0.835 182 L CB 0.014 42.080 42.059 0.012 0.000 0.953 182 L HN -0.555 7.593 8.230 0.035 0.103 0.454 183 T N -6.879 107.681 114.554 0.010 0.000 3.040 183 T HA 0.077 4.429 4.350 0.003 0.000 0.266 183 T C 0.029 174.736 174.700 0.013 0.000 1.005 183 T CA -0.246 61.854 62.100 -0.000 0.000 0.906 183 T CB 0.547 69.402 68.868 -0.023 0.000 1.082 183 T HN -0.376 7.831 8.240 0.007 0.037 0.531 184 S N 0.889 116.617 115.700 0.046 0.000 2.615 184 S HA 0.125 4.635 4.470 0.066 0.000 0.269 184 S C -1.772 172.930 174.600 0.170 0.000 1.161 184 S CA -0.897 57.351 58.200 0.081 0.000 0.817 184 S CB 2.388 65.618 63.200 0.049 0.000 1.131 184 S HN -0.679 7.669 8.310 0.064 0.000 0.467 185 D N 2.284 122.801 120.400 0.194 0.000 2.483 185 D HA 0.107 4.922 4.640 0.292 0.000 0.220 185 D C -1.951 174.577 176.300 0.381 0.000 1.173 185 D CA -0.016 54.148 54.000 0.273 0.000 0.964 185 D CB -0.978 39.947 40.800 0.207 0.000 1.046 185 D HN 0.239 8.704 8.370 0.159 0.000 0.517 186 Y N 4.917 125.398 120.300 0.302 0.000 2.482 186 Y HA 0.535 5.434 4.550 0.203 -0.227 0.334 186 Y C -2.882 173.219 175.900 0.335 0.000 1.091 186 Y CA -0.837 57.413 58.100 0.250 0.000 1.027 186 Y CB 3.754 42.319 38.460 0.176 0.000 1.306 186 Y HN -0.668 7.945 8.280 0.555 0.000 0.446 187 A N 6.493 129.176 122.820 -0.228 0.000 2.330 187 A HA 0.599 5.160 4.320 0.177 -0.135 0.327 187 A C -2.699 174.717 177.584 -0.281 0.000 1.155 187 A CA -2.377 49.567 52.037 -0.155 0.000 0.803 187 A CB 3.042 21.790 19.000 -0.420 0.000 1.208 187 A HN 0.590 8.488 8.150 -0.420 0.000 0.477 188 F N 4.059 123.931 119.950 -0.130 0.000 2.444 188 F HA 0.372 4.820 4.527 -0.132 0.000 0.342 188 F C -2.146 173.659 175.800 0.010 0.000 1.121 188 F CA -3.018 54.966 58.000 -0.027 0.000 0.997 188 F CB 3.677 42.806 39.000 0.214 0.000 1.130 188 F HN 0.265 8.734 8.300 0.282 0.000 0.454 189 L N 9.025 129.996 121.223 -0.420 0.000 2.315 189 L HA 0.397 4.790 4.340 -0.207 -0.177 0.283 189 L C -1.153 175.373 176.870 -0.572 0.000 1.089 189 L CA -0.439 54.188 54.840 -0.355 0.000 0.833 189 L CB -1.187 40.732 42.059 -0.234 0.000 1.170 189 L HN 0.498 8.484 8.230 -0.408 0.000 0.442 190 M N 3.250 122.671 119.600 -0.299 0.000 2.520 190 M HA 0.418 4.734 4.480 -0.273 0.000 0.283 190 M C -2.283 173.979 176.300 -0.064 0.000 1.237 190 M CA -0.880 54.303 55.300 -0.195 0.000 0.885 190 M CB 4.126 36.742 32.600 0.027 0.000 1.727 190 M HN 0.297 8.481 8.290 -0.176 0.000 0.468 191 E N 2.380 122.573 120.200 -0.013 0.000 2.373 191 E HA 0.015 4.458 4.350 -0.070 -0.135 0.267 191 E C 1.319 177.954 176.600 0.057 0.000 1.032 191 E CA 0.407 56.804 56.400 -0.005 0.000 0.889 191 E CB 0.821 30.545 29.700 0.040 0.000 0.984 191 E HN 0.580 8.945 8.360 0.008 0.000 0.425 192 S N 4.243 119.944 115.700 0.001 0.000 2.402 192 S HA -0.302 4.201 4.470 0.055 0.000 0.229 192 S C 1.668 176.338 174.600 0.116 0.000 1.021 192 S CA 3.585 61.806 58.200 0.035 0.000 0.974 192 S CB 0.219 63.400 63.200 -0.032 0.000 0.800 192 S HN 0.362 8.635 8.310 -0.061 0.000 0.484 193 T N -0.611 114.025 114.554 0.136 0.000 2.788 193 T HA -0.239 4.221 4.350 0.182 0.000 0.268 193 T C 1.768 176.807 174.700 0.565 0.000 1.044 193 T CA 3.044 65.313 62.100 0.282 0.000 1.139 193 T CB -0.401 68.635 68.868 0.280 0.000 0.867 193 T HN 0.037 8.322 8.240 0.074 0.000 0.454 194 T N 4.843 119.679 114.554 0.470 0.000 2.812 194 T HA -0.239 4.411 4.350 0.501 0.000 0.264 194 T C 1.561 176.491 174.700 0.384 0.000 1.042 194 T CA 4.684 67.053 62.100 0.448 0.000 1.140 194 T CB -0.141 68.944 68.868 0.363 0.000 0.870 194 T HN -0.783 7.685 8.240 0.380 0.000 0.445 195 I N 1.922 122.668 120.570 0.293 0.000 2.208 195 I HA -0.518 3.797 4.170 0.241 0.000 0.245 195 I C 1.442 177.707 176.117 0.247 0.000 1.097 195 I CA 4.423 65.866 61.300 0.239 0.000 1.363 195 I CB -0.316 37.785 38.000 0.168 0.000 1.051 195 I HN -0.272 8.090 8.210 0.254 0.000 0.413 196 E N 0.362 120.738 120.200 0.293 0.000 2.058 196 E HA -0.397 4.079 4.350 0.210 0.000 0.194 196 E C 2.240 179.052 176.600 0.354 0.000 0.997 196 E CA 3.007 59.589 56.400 0.305 0.000 0.801 196 E CB -0.122 29.774 29.700 0.326 0.000 0.746 196 E HN -0.422 8.119 8.360 0.301 0.000 0.450 197 F N -0.081 120.052 119.950 0.305 0.000 2.102 197 F HA -0.340 4.213 4.527 0.043 0.000 0.298 197 F C 1.923 177.750 175.800 0.046 0.000 1.105 197 F CA 3.413 61.443 58.000 0.050 0.000 1.239 197 F CB 0.213 39.054 39.000 -0.264 0.000 0.991 197 F HN -0.875 7.826 8.300 0.669 0.000 0.474 198 V N -1.904 118.110 119.914 0.167 0.000 2.358 198 V HA -0.569 3.569 4.120 0.030 0.000 0.246 198 V C 2.289 178.384 176.094 0.001 0.000 1.047 198 V CA 4.199 66.549 62.300 0.084 0.000 1.035 198 V CB -0.027 31.913 31.823 0.195 0.000 0.658 198 V HN -0.198 8.178 8.190 0.309 0.000 0.452 199 T N -2.583 111.997 114.554 0.044 0.000 2.995 199 T HA -0.311 4.057 4.350 0.029 0.000 0.269 199 T C 1.026 175.717 174.700 -0.015 0.000 1.091 199 T CA 2.666 64.784 62.100 0.030 0.000 1.128 199 T CB -0.002 68.903 68.868 0.062 0.000 0.891 199 T HN -0.125 8.169 8.240 0.089 0.000 0.492 200 Q N 0.680 120.447 119.800 -0.054 0.000 2.435 200 Q HA -0.177 4.138 4.340 -0.041 0.000 0.207 200 Q C 0.637 176.556 176.000 -0.135 0.000 0.956 200 Q CA 1.943 57.697 55.803 -0.082 0.000 0.917 200 Q CB 0.049 28.739 28.738 -0.080 0.000 0.997 200 Q HN -0.687 7.528 8.270 -0.059 0.020 0.497 201 R N -4.274 116.119 120.500 -0.178 0.000 2.437 201 R HA 0.130 4.385 4.340 -0.141 0.000 0.257 201 R C -0.337 175.914 176.300 -0.082 0.000 0.927 201 R CA 0.000 56.003 56.100 -0.162 0.000 1.078 201 R CB 1.482 31.619 30.300 -0.271 0.000 1.161 201 R HN -0.643 7.361 8.270 -0.184 0.156 0.529 202 N N -0.632 118.037 118.700 -0.051 0.000 2.648 202 N HA 0.292 5.020 4.740 -0.020 0.000 0.261 202 N C -1.078 174.424 175.510 -0.013 0.000 1.138 202 N CA -0.188 52.850 53.050 -0.020 0.000 0.804 202 N CB 2.769 41.258 38.487 0.003 0.000 1.237 202 N HN -0.398 7.951 8.380 -0.052 0.000 0.532 203 c N 0.682 119.273 118.600 -0.016 0.000 2.522 203 c HA 0.013 4.577 4.570 -0.010 0.000 0.271 203 c C 0.375 174.459 174.090 -0.009 0.000 1.425 203 c CA 0.949 57.271 56.329 -0.012 0.000 1.751 203 c CB -1.650 40.851 42.510 -0.014 0.000 1.775 203 c HN 0.646 8.865 8.230 -0.018 0.000 0.557 204 N N -1.366 117.328 118.700 -0.011 0.000 2.336 204 N HA -0.076 4.651 4.740 -0.021 0.000 0.189 204 N C -1.200 174.297 175.510 -0.022 0.000 1.113 204 N CA 0.834 53.873 53.050 -0.019 0.000 0.858 204 N CB -0.914 37.559 38.487 -0.024 0.000 0.970 204 N HN 0.363 8.691 8.380 -0.010 0.047 0.471 205 L N -1.586 119.637 121.223 -0.000 0.000 2.330 205 L HA 0.721 5.205 4.340 0.005 -0.141 0.271 205 L C -0.722 176.170 176.870 0.037 0.000 1.013 205 L CA -0.854 53.999 54.840 0.021 0.000 0.816 205 L CB 2.605 44.695 42.059 0.051 0.000 1.287 205 L HN -0.640 7.534 8.230 0.004 0.059 0.435 206 T N -0.725 113.865 114.554 0.061 0.000 2.843 206 T HA 0.348 4.736 4.350 0.063 0.000 0.302 206 T C -2.210 172.549 174.700 0.099 0.000 1.232 206 T CA -1.948 60.194 62.100 0.070 0.000 1.009 206 T CB 2.605 71.505 68.868 0.053 0.000 1.254 206 T HN 0.454 8.739 8.240 0.075 0.000 0.504 207 Q N 3.910 123.761 119.800 0.086 0.000 2.314 207 Q HA 0.423 5.036 4.340 0.095 -0.216 0.258 207 Q C -0.529 175.516 176.000 0.074 0.000 0.954 207 Q CA -0.085 55.767 55.803 0.082 0.000 0.890 207 Q CB 1.155 29.930 28.738 0.063 0.000 1.210 207 Q HN 0.211 8.526 8.270 0.074 0.000 0.410 208 I N 6.133 126.746 120.570 0.072 0.000 2.339 208 I HA 0.113 4.321 4.170 0.064 0.000 0.290 208 I C -0.458 175.674 176.117 0.025 0.000 0.994 208 I CA -1.681 59.654 61.300 0.058 0.000 1.191 208 I CB -0.429 37.609 38.000 0.064 0.000 1.343 208 I HN 0.255 8.508 8.210 0.070 0.000 0.458 209 G N 5.255 114.067 108.800 0.020 0.000 2.698 209 G HA2 -0.340 3.625 3.960 0.009 0.000 0.233 209 G HA3 -0.340 3.622 3.960 0.005 0.000 0.233 209 G C -0.946 173.956 174.900 0.003 0.000 1.352 209 G CA -0.366 44.739 45.100 0.009 0.000 0.879 209 G HN -0.081 8.225 8.290 0.026 0.000 0.567 210 G N -1.119 107.677 108.800 -0.006 0.000 2.782 210 G HA2 0.088 4.039 3.960 -0.016 0.000 0.201 210 G HA3 0.088 4.036 3.960 -0.019 0.000 0.201 210 G C -1.512 173.364 174.900 -0.040 0.000 1.374 210 G CA -1.122 43.967 45.100 -0.019 0.000 1.039 210 G HN -0.047 8.241 8.290 -0.004 0.000 0.576 211 L N -1.129 120.058 121.223 -0.060 0.000 2.305 211 L HA 0.022 4.457 4.340 -0.113 -0.162 0.281 211 L C 0.641 177.440 176.870 -0.118 0.000 1.085 211 L CA 0.091 54.869 54.840 -0.103 0.000 0.813 211 L CB 0.794 42.782 42.059 -0.118 0.000 1.157 211 L HN 0.021 8.219 8.230 -0.054 0.000 0.436 212 I N 1.367 121.824 120.570 -0.187 0.000 2.617 212 I HA -0.136 3.977 4.170 -0.096 0.000 0.256 212 I C -0.052 175.880 176.117 -0.309 0.000 1.167 212 I CA 1.966 63.125 61.300 -0.234 0.000 1.469 212 I CB 0.803 38.550 38.000 -0.422 0.000 1.098 212 I HN 0.650 8.728 8.210 -0.220 0.000 0.436 213 D N -2.430 117.741 120.400 -0.380 0.000 2.812 213 D HA 0.139 4.636 4.640 -0.238 0.000 0.318 213 D C -2.241 173.899 176.300 -0.267 0.000 1.234 213 D CA -1.420 52.368 54.000 -0.354 0.000 0.989 213 D CB 1.600 42.026 40.800 -0.623 0.000 1.442 213 D HN -0.571 7.577 8.370 -0.369 0.000 0.537 214 S N -0.878 114.685 115.700 -0.229 0.000 2.571 214 S HA 0.635 5.157 4.470 -0.216 -0.181 0.284 214 S C -0.673 173.802 174.600 -0.208 0.000 1.128 214 S CA -1.029 57.050 58.200 -0.201 0.000 0.970 214 S CB 2.461 65.573 63.200 -0.147 0.000 1.039 214 S HN -0.030 8.151 8.310 -0.214 0.000 0.485 215 K N 2.196 122.449 120.400 -0.245 0.000 2.571 215 K HA 0.318 4.508 4.320 -0.217 0.000 0.289 215 K C -2.886 173.522 176.600 -0.320 0.000 1.028 215 K CA -1.442 54.693 56.287 -0.255 0.000 0.895 215 K CB 2.679 35.027 32.500 -0.254 0.000 1.534 215 K HN 0.472 8.562 8.250 -0.266 0.000 0.421 216 G N -2.667 105.937 108.800 -0.327 0.000 2.473 216 G HA2 0.640 4.472 3.960 -0.453 0.000 0.321 216 G HA3 0.640 4.407 3.960 -0.322 0.000 0.321 216 G C -2.128 172.534 174.900 -0.397 0.000 1.200 216 G CA -1.606 43.261 45.100 -0.388 0.000 0.963 216 G HN 0.095 8.207 8.290 -0.297 0.000 0.483 217 Y N -0.511 119.486 120.300 -0.504 0.000 2.323 217 Y HA 0.580 5.061 4.550 -0.436 -0.193 0.331 217 Y C -0.381 175.060 175.900 -0.765 0.000 1.092 217 Y CA -2.556 55.160 58.100 -0.639 0.000 1.150 217 Y CB 1.333 39.264 38.460 -0.881 0.000 1.200 217 Y HN -0.115 7.820 8.280 -0.575 0.000 0.472 218 G N -0.179 108.548 108.800 -0.122 0.000 2.642 218 G HA2 0.570 4.610 3.960 0.134 0.000 0.293 218 G HA3 0.570 4.653 3.960 0.206 0.000 0.293 218 G C -2.165 173.022 174.900 0.478 0.000 1.341 218 G CA -1.404 43.801 45.100 0.175 0.000 0.916 218 G HN -0.090 8.211 8.290 0.019 0.000 0.474 219 V N 1.102 121.292 119.914 0.460 0.000 2.508 219 V HA -0.138 4.280 4.120 0.254 -0.146 0.281 219 V C 0.013 176.182 176.094 0.126 0.000 1.041 219 V CA 0.666 63.125 62.300 0.264 0.000 1.016 219 V CB 0.486 32.404 31.823 0.157 0.000 0.984 219 V HN -0.049 8.410 8.190 0.448 0.000 0.478 220 G N 6.215 114.984 108.800 -0.052 0.000 2.395 220 G HA2 0.544 4.319 3.960 -0.586 0.000 0.283 220 G HA3 0.544 4.231 3.960 -0.456 0.000 0.283 220 G C -2.014 172.712 174.900 -0.289 0.000 1.178 220 G CA -1.220 43.659 45.100 -0.369 0.000 0.837 220 G HN 0.125 8.400 8.290 -0.026 0.000 0.518 221 T N -1.471 112.884 114.554 -0.331 0.000 2.883 221 T HA 0.723 4.918 4.350 -0.259 0.000 0.296 221 T C -2.497 172.025 174.700 -0.297 0.000 1.117 221 T CA -3.442 58.504 62.100 -0.258 0.000 1.006 221 T CB 1.847 70.626 68.868 -0.149 0.000 1.191 221 T HN 0.442 8.436 8.240 -0.411 0.000 0.508 222 P HA -0.018 4.213 4.420 -0.316 0.000 0.269 222 P C -0.721 176.463 177.300 -0.193 0.000 1.215 222 P CA 0.233 63.139 63.100 -0.323 0.000 0.780 222 P CB 0.579 31.911 31.700 -0.614 0.000 0.898 223 M N 3.726 123.244 119.600 -0.137 0.000 2.261 223 M HA -0.613 3.942 4.480 -0.100 -0.135 0.350 223 M C 0.931 177.212 176.300 -0.031 0.000 1.343 223 M CA 2.206 57.457 55.300 -0.082 0.000 1.003 223 M CB 0.095 32.657 32.600 -0.064 0.000 1.848 223 M HN 0.548 8.756 8.290 -0.138 0.000 0.456 224 G N 4.675 113.457 108.800 -0.031 0.000 2.176 224 G HA2 -0.413 3.539 3.960 -0.013 0.000 0.253 224 G HA3 -0.413 3.548 3.960 0.002 0.000 0.253 224 G C -0.727 174.167 174.900 -0.011 0.000 0.979 224 G CA -0.280 44.813 45.100 -0.012 0.000 0.641 224 G HN 0.513 9.134 8.290 -0.040 -0.355 0.530 225 S N 1.984 117.669 115.700 -0.024 0.000 2.549 225 S HA 0.240 4.714 4.470 0.006 0.000 0.283 225 S C 0.458 175.048 174.600 -0.016 0.000 1.320 225 S CA -2.407 55.789 58.200 -0.007 0.000 1.058 225 S CB 0.945 64.141 63.200 -0.006 0.000 0.882 225 S HN -0.619 7.622 8.310 -0.045 0.043 0.498 226 P HA -0.026 4.338 4.420 -0.093 0.000 0.226 226 P C 0.422 177.613 177.300 -0.181 0.000 1.153 226 P CA 1.436 64.453 63.100 -0.138 0.000 0.777 226 P CB 0.120 31.692 31.700 -0.213 0.000 0.794 227 Y N -1.610 118.657 120.300 -0.055 0.000 2.373 227 Y HA -0.311 4.218 4.550 -0.034 0.000 0.293 227 Y C 1.783 177.662 175.900 -0.035 0.000 1.129 227 Y CA 3.189 61.254 58.100 -0.059 0.000 1.226 227 Y CB -0.564 37.818 38.460 -0.129 0.000 1.000 227 Y HN -0.413 7.860 8.280 0.049 0.037 0.549 228 R N -0.355 120.195 120.500 0.084 0.000 2.097 228 R HA -0.518 3.862 4.340 0.066 0.000 0.236 228 R C 1.550 177.888 176.300 0.063 0.000 1.135 228 R CA 4.566 60.702 56.100 0.059 0.000 0.934 228 R CB -0.334 29.982 30.300 0.026 0.000 0.846 228 R HN -0.825 7.456 8.270 0.059 0.024 0.431 229 D N -2.577 117.845 120.400 0.037 0.000 2.178 229 D HA -0.140 4.525 4.640 0.043 0.000 0.202 229 D C 2.322 178.648 176.300 0.044 0.000 0.974 229 D CA 3.108 57.129 54.000 0.034 0.000 0.841 229 D CB -0.701 40.108 40.800 0.014 0.000 0.953 229 D HN 0.095 8.476 8.370 0.019 0.000 0.478 230 K N 0.071 120.497 120.400 0.043 0.000 2.097 230 K HA -0.239 4.115 4.320 0.057 0.000 0.205 230 K C 2.590 179.256 176.600 0.110 0.000 1.050 230 K CA 3.277 59.606 56.287 0.070 0.000 0.938 230 K CB 0.041 32.578 32.500 0.062 0.000 0.718 230 K HN -0.929 7.337 8.250 0.026 0.000 0.442 231 I N -0.307 120.341 120.570 0.130 0.000 2.353 231 I HA -0.431 3.820 4.170 0.135 0.000 0.248 231 I C 1.469 177.646 176.117 0.100 0.000 1.119 231 I CA 3.810 65.186 61.300 0.128 0.000 1.417 231 I CB -0.159 37.920 38.000 0.132 0.000 1.078 231 I HN 0.007 8.296 8.210 0.132 0.000 0.421 232 T N 3.450 118.060 114.554 0.093 0.000 2.684 232 T HA -0.435 3.973 4.350 0.097 0.000 0.267 232 T C 1.766 176.506 174.700 0.066 0.000 1.036 232 T CA 5.569 67.719 62.100 0.083 0.000 1.148 232 T CB -0.150 68.760 68.868 0.070 0.000 0.863 232 T HN -0.402 7.893 8.240 0.091 0.000 0.436 233 L N -0.485 120.774 121.223 0.060 0.000 2.046 233 L HA -0.371 3.997 4.340 0.047 0.000 0.208 233 L C 1.681 178.577 176.870 0.044 0.000 1.077 233 L CA 3.208 58.079 54.840 0.052 0.000 0.747 233 L CB -0.445 41.646 42.059 0.054 0.000 0.896 233 L HN -0.552 7.715 8.230 0.062 0.000 0.432 234 A N -0.589 122.255 122.820 0.040 0.000 1.933 234 A HA -0.320 3.983 4.320 -0.028 0.000 0.218 234 A C 2.089 179.630 177.584 -0.071 0.000 1.175 234 A CA 3.003 55.022 52.037 -0.030 0.000 0.628 234 A CB -0.773 18.204 19.000 -0.038 0.000 0.814 234 A HN -0.494 7.692 8.150 0.059 0.000 0.444 235 I N -1.444 119.127 120.570 0.001 0.000 2.226 235 I HA -0.624 3.551 4.170 0.009 0.000 0.245 235 I C 1.665 177.808 176.117 0.043 0.000 1.100 235 I CA 4.534 65.857 61.300 0.038 0.000 1.374 235 I CB 0.014 38.088 38.000 0.122 0.000 1.057 235 I HN -0.153 8.077 8.210 0.033 0.000 0.413 236 L N -1.398 119.852 121.223 0.045 0.000 2.083 236 L HA -0.499 3.870 4.340 0.049 0.000 0.209 236 L C 2.006 178.895 176.870 0.033 0.000 1.083 236 L CA 3.318 58.184 54.840 0.042 0.000 0.752 236 L CB -0.744 41.339 42.059 0.040 0.000 0.899 236 L HN -0.117 8.141 8.230 0.047 0.000 0.433 237 K N -0.136 120.277 120.400 0.022 0.000 2.057 237 K HA -0.312 4.033 4.320 0.041 0.000 0.206 237 K C 2.336 178.947 176.600 0.018 0.000 1.050 237 K CA 3.453 59.758 56.287 0.029 0.000 0.935 237 K CB -0.072 32.458 32.500 0.051 0.000 0.715 237 K HN -0.529 7.731 8.250 0.017 0.000 0.439 238 L N -1.992 119.212 121.223 -0.031 0.000 2.083 238 L HA -0.300 4.034 4.340 -0.010 0.000 0.209 238 L C 2.293 179.184 176.870 0.034 0.000 1.083 238 L CA 2.768 57.594 54.840 -0.023 0.000 0.752 238 L CB -0.230 41.779 42.059 -0.083 0.000 0.899 238 L HN -0.084 8.106 8.230 -0.066 0.000 0.433 239 Q N -1.157 118.673 119.800 0.050 0.000 2.046 239 Q HA -0.378 4.018 4.340 0.092 0.000 0.200 239 Q C 2.446 178.478 176.000 0.054 0.000 0.975 239 Q CA 2.964 58.810 55.803 0.071 0.000 0.836 239 Q CB -0.429 28.353 28.738 0.074 0.000 0.896 239 Q HN 0.011 8.308 8.270 0.044 0.000 0.428 240 E N -0.092 120.133 120.200 0.041 0.000 2.153 240 E HA -0.235 4.131 4.350 0.025 0.000 0.194 240 E C 2.000 178.619 176.600 0.032 0.000 0.988 240 E CA 2.357 58.776 56.400 0.031 0.000 0.811 240 E CB -0.089 29.629 29.700 0.029 0.000 0.746 240 E HN -0.559 7.825 8.360 0.040 0.000 0.466 241 E N -3.602 116.624 120.200 0.043 0.000 2.481 241 E HA -0.088 4.286 4.350 0.040 0.000 0.195 241 E C 0.347 176.977 176.600 0.050 0.000 1.047 241 E CA 0.002 56.430 56.400 0.047 0.000 0.867 241 E CB 0.407 30.143 29.700 0.060 0.000 0.858 241 E HN -0.507 7.863 8.360 0.046 0.017 0.513 242 G N -1.863 106.971 108.800 0.057 0.000 2.176 242 G HA2 -0.442 3.565 3.960 0.077 0.000 0.253 242 G HA3 -0.442 3.557 3.960 0.065 0.000 0.253 242 G C 0.376 175.349 174.900 0.121 0.000 0.979 242 G CA 0.381 45.528 45.100 0.079 0.000 0.641 242 G HN -0.133 8.020 8.290 0.056 0.171 0.530 243 K N 1.658 122.115 120.400 0.095 0.000 2.103 243 K HA -0.144 4.229 4.320 0.088 0.000 0.204 243 K C 1.077 177.737 176.600 0.099 0.000 1.052 243 K CA 2.219 58.556 56.287 0.085 0.000 0.945 243 K CB 0.012 32.544 32.500 0.052 0.000 0.722 243 K HN -0.409 7.846 8.250 0.078 0.043 0.443 244 L N -2.990 118.305 121.223 0.119 0.000 2.093 244 L HA -0.277 4.140 4.340 0.128 0.000 0.208 244 L C 1.869 178.882 176.870 0.239 0.000 1.085 244 L CA 3.059 58.003 54.840 0.174 0.000 0.755 244 L CB -0.680 41.507 42.059 0.213 0.000 0.904 244 L HN -0.792 7.505 8.230 0.112 0.000 0.435 245 H N -0.903 118.237 119.070 0.116 0.000 2.357 245 H HA -0.349 4.264 4.556 0.095 0.000 0.301 245 H C 1.678 177.074 175.328 0.113 0.000 1.082 245 H CA 3.963 60.069 56.048 0.097 0.000 1.342 245 H CB 0.011 29.807 29.762 0.057 0.000 1.389 245 H HN -0.049 8.405 8.280 0.290 0.000 0.511 246 M N -1.578 118.113 119.600 0.151 0.000 2.229 246 M HA -0.225 4.282 4.480 0.045 0.000 0.264 246 M C 2.433 178.789 176.300 0.093 0.000 1.063 246 M CA 1.405 56.756 55.300 0.086 0.000 1.114 246 M CB -1.040 31.623 32.600 0.105 0.000 1.387 246 M HN -0.493 7.922 8.290 0.207 0.000 0.420 247 M N -0.347 119.347 119.600 0.157 0.000 2.175 247 M HA -0.441 4.190 4.480 0.251 0.000 0.264 247 M C 2.061 178.680 176.300 0.532 0.000 1.063 247 M CA 4.396 59.859 55.300 0.273 0.000 1.119 247 M CB -0.257 32.385 32.600 0.070 0.000 1.377 247 M HN -0.276 8.018 8.290 0.148 0.084 0.415 248 K N 0.118 120.774 120.400 0.426 0.000 2.057 248 K HA -0.429 4.202 4.320 0.518 0.000 0.207 248 K C 2.052 178.808 176.600 0.261 0.000 1.049 248 K CA 3.879 60.340 56.287 0.290 0.000 0.931 248 K CB -0.151 32.263 32.500 -0.143 0.000 0.714 248 K HN -0.161 8.283 8.250 0.323 0.000 0.440 249 E N -1.688 118.532 120.200 0.033 0.000 2.110 249 E HA -0.452 3.926 4.350 0.046 0.000 0.193 249 E C 2.023 178.683 176.600 0.099 0.000 0.988 249 E CA 3.150 59.565 56.400 0.025 0.000 0.804 249 E CB -0.224 29.421 29.700 -0.091 0.000 0.745 249 E HN -0.311 8.001 8.360 -0.081 0.000 0.458 250 K N -0.581 119.858 120.400 0.064 0.000 2.026 250 K HA -0.309 3.918 4.320 -0.154 0.000 0.208 250 K C 1.566 178.036 176.600 -0.217 0.000 1.048 250 K CA 2.685 58.885 56.287 -0.145 0.000 0.929 250 K CB 0.002 32.331 32.500 -0.285 0.000 0.713 250 K HN -0.403 7.903 8.250 0.093 0.000 0.439 251 W N -4.702 116.765 121.300 0.279 0.000 2.942 251 W HA -0.001 4.720 4.660 0.103 0.000 0.263 251 W C 1.355 177.988 176.519 0.190 0.000 1.296 251 W CA 0.782 58.243 57.345 0.193 0.000 1.504 251 W CB 0.844 30.399 29.460 0.160 0.000 1.096 251 W HN -0.749 7.737 8.180 0.510 0.000 0.639 252 W N -3.277 118.187 121.300 0.273 0.000 3.013 252 W HA 0.069 5.024 4.660 0.492 0.000 0.280 252 W C 0.219 176.820 176.519 0.136 0.000 1.249 252 W CA 1.086 58.601 57.345 0.283 0.000 1.577 252 W CB 1.419 30.993 29.460 0.191 0.000 1.057 252 W HN -0.177 8.463 8.180 0.766 0.000 0.613 253 R N -0.484 120.170 120.500 0.256 0.000 2.590 253 R HA -0.252 4.161 4.340 0.122 0.000 0.274 253 R C 0.037 176.369 176.300 0.054 0.000 1.061 253 R CA 1.375 57.546 56.100 0.117 0.000 1.081 253 R CB 0.661 30.998 30.300 0.061 0.000 0.984 253 R HN -0.476 7.944 8.270 0.250 0.000 0.448 254 G N 0.653 109.465 108.800 0.020 0.000 2.490 254 G HA2 -0.015 3.936 3.960 -0.015 0.000 0.308 254 G HA3 -0.015 3.921 3.960 -0.040 0.000 0.308 254 G C -1.070 173.819 174.900 -0.017 0.000 1.286 254 G CA -0.427 44.663 45.100 -0.016 0.000 0.825 254 G HN -0.180 8.126 8.290 0.027 0.000 0.479 255 N N 0.091 118.774 118.700 -0.029 0.000 2.084 255 N HA -0.186 4.545 4.740 -0.015 0.000 0.190 255 N C 0.923 176.422 175.510 -0.019 0.000 1.030 255 N CA 1.256 54.293 53.050 -0.022 0.000 0.849 255 N CB 0.218 38.690 38.487 -0.025 0.000 1.012 255 N HN 0.246 8.603 8.380 -0.039 0.000 0.423 256 G N -0.457 108.325 108.800 -0.030 0.000 2.587 256 G HA2 -0.277 3.667 3.960 -0.026 0.000 0.212 256 G HA3 -0.277 3.677 3.960 -0.010 0.000 0.212 256 G C -2.095 172.794 174.900 -0.020 0.000 1.327 256 G CA -0.572 44.515 45.100 -0.021 0.000 0.898 256 G HN -0.175 8.088 8.290 -0.045 0.000 0.551 257 c N 0.494 119.088 118.600 -0.010 0.000 2.698 257 c HA 0.470 5.033 4.570 -0.012 0.000 0.309 257 c C -1.715 172.373 174.090 -0.003 0.000 1.186 257 c CA -2.502 53.822 56.329 -0.009 0.000 1.474 257 c CB 1.028 43.534 42.510 -0.008 0.000 2.020 257 c HN 0.332 8.558 8.230 -0.005 0.000 0.474 258 P HA 0.000 4.420 4.420 -0.001 0.000 0.216 258 P CA 0.000 63.099 63.100 -0.001 0.000 0.800 258 P CB 0.000 31.698 31.700 -0.003 0.000 0.726