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 2kz7_1_A DATA FIRST_RESID 7 DATA SEQUENCE RVSDEEKVRI AAKFITHAPP GEFNEVFNDV RLLLNNDNLL REGAAHAFAQ DATA SEQUENCE YNMDQFTPVK IEGYDDQVLI TEHGDLGNGR FLDPRNKISF KFDHLRKEAS DATA SEQUENCE DPQPEDTESA LKQWRDACDS ALRAYVKDHY PNGFCTVYGK SIDGQQTIIA DATA SEQUENCE CIESHQFQPK NFWNGRWRSE WKFTITPPTA QVAAVLKIQV HYYEDGNVQL DATA SEQUENCE VSHKDIQDSV QVSSDVQTAK EFIKIIENAE NEYQTAISEN YQTMSDTTFK DATA SEQUENCE ALRRQLPVTR TKIDWNKILS YKIGK 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 7 R HA 0.000 4.333 4.340 -0.011 0.000 0.208 7 R C 0.000 176.292 176.300 -0.013 0.000 0.893 7 R CA 0.000 56.093 56.100 -0.011 0.000 0.921 7 R CB 0.000 30.294 30.300 -0.009 0.000 0.687 8 V N 1.564 121.470 119.914 -0.013 0.000 2.888 8 V HA 0.371 4.629 4.120 -0.019 -0.149 0.309 8 V C -2.142 173.943 176.094 -0.015 0.000 1.114 8 V CA -0.737 61.554 62.300 -0.015 0.000 0.940 8 V CB 2.281 34.096 31.823 -0.014 0.000 1.021 8 V HN -0.416 7.767 8.190 -0.011 0.000 0.426 9 S N 6.991 122.681 115.700 -0.018 0.000 2.588 9 S HA 0.239 4.701 4.470 -0.013 0.000 0.269 9 S C -0.387 174.202 174.600 -0.018 0.000 1.157 9 S CA -0.920 57.271 58.200 -0.016 0.000 0.824 9 S CB 2.642 65.834 63.200 -0.015 0.000 1.126 9 S HN -0.100 8.248 8.310 -0.022 -0.051 0.464 10 D N 2.114 122.505 120.400 -0.015 0.000 2.219 10 D HA -0.153 4.476 4.640 -0.017 0.000 0.205 10 D C 1.839 178.130 176.300 -0.016 0.000 0.970 10 D CA 2.806 56.797 54.000 -0.015 0.000 0.851 10 D CB -0.141 40.653 40.800 -0.009 0.000 0.943 10 D HN 0.412 8.775 8.370 -0.012 0.000 0.488 11 E N -1.259 118.932 120.200 -0.014 0.000 2.072 11 E HA -0.314 4.032 4.350 -0.008 0.000 0.191 11 E C 2.001 178.587 176.600 -0.023 0.000 0.985 11 E CA 2.832 59.224 56.400 -0.013 0.000 0.801 11 E CB -0.693 29.000 29.700 -0.011 0.000 0.750 11 E HN 0.496 8.821 8.360 -0.013 0.027 0.452 12 E N 0.314 120.496 120.200 -0.030 0.000 2.072 12 E HA -0.270 4.052 4.350 -0.046 0.000 0.191 12 E C 2.445 179.005 176.600 -0.066 0.000 0.985 12 E CA 2.622 58.995 56.400 -0.045 0.000 0.801 12 E CB -0.204 29.471 29.700 -0.042 0.000 0.750 12 E HN -0.717 7.544 8.360 -0.026 0.084 0.452 13 K N -0.604 119.763 120.400 -0.056 0.000 2.097 13 K HA -0.277 3.988 4.320 -0.092 0.000 0.206 13 K C 2.576 179.131 176.600 -0.075 0.000 1.049 13 K CA 3.255 59.501 56.287 -0.069 0.000 0.933 13 K CB -0.119 32.355 32.500 -0.044 0.000 0.717 13 K HN -0.488 7.737 8.250 -0.041 0.000 0.442 14 V N 0.110 119.996 119.914 -0.045 0.000 2.358 14 V HA -0.439 3.668 4.120 -0.022 0.000 0.246 14 V C 1.923 177.994 176.094 -0.040 0.000 1.047 14 V CA 3.955 66.240 62.300 -0.026 0.000 1.035 14 V CB -0.446 31.379 31.823 0.004 0.000 0.658 14 V HN -0.134 7.941 8.190 -0.035 0.094 0.452 15 R N -0.363 120.105 120.500 -0.053 0.000 2.092 15 R HA -0.312 4.013 4.340 -0.024 0.000 0.231 15 R C 2.755 178.964 176.300 -0.152 0.000 1.119 15 R CA 3.629 59.691 56.100 -0.064 0.000 0.970 15 R CB -0.236 30.032 30.300 -0.053 0.000 0.864 15 R HN -0.574 7.589 8.270 -0.049 0.078 0.440 16 I N -0.183 120.251 120.570 -0.226 0.000 2.142 16 I HA -0.493 3.375 4.170 -0.503 0.000 0.240 16 I C 1.356 177.131 176.117 -0.570 0.000 1.078 16 I CA 3.783 64.808 61.300 -0.458 0.000 1.343 16 I CB -0.293 37.446 38.000 -0.436 0.000 1.046 16 I HN -0.071 8.036 8.210 -0.172 0.000 0.405 17 A N -1.238 121.401 122.820 -0.302 0.000 1.917 17 A HA -0.414 3.828 4.320 -0.131 0.000 0.219 17 A C 1.753 179.290 177.584 -0.078 0.000 1.182 17 A CA 3.298 55.241 52.037 -0.156 0.000 0.633 17 A CB -1.076 17.886 19.000 -0.063 0.000 0.819 17 A HN 0.219 8.239 8.150 -0.216 0.000 0.448 18 A N -1.914 120.874 122.820 -0.055 0.000 1.902 18 A HA -0.407 3.963 4.320 0.084 0.000 0.217 18 A C 1.620 179.225 177.584 0.035 0.000 1.181 18 A CA 3.134 55.187 52.037 0.027 0.000 0.623 18 A CB -0.826 18.202 19.000 0.046 0.000 0.818 18 A HN 0.047 8.070 8.150 -0.077 0.081 0.443 19 K N -0.456 119.906 120.400 -0.063 0.000 2.026 19 K HA -0.252 4.141 4.320 0.122 0.000 0.208 19 K C 2.448 179.121 176.600 0.122 0.000 1.048 19 K CA 3.012 59.286 56.287 -0.021 0.000 0.929 19 K CB -0.097 32.273 32.500 -0.218 0.000 0.713 19 K HN -0.438 7.631 8.250 -0.163 0.084 0.439 20 F N -2.008 117.915 119.950 -0.045 0.000 2.095 20 F HA -0.281 4.199 4.527 -0.079 0.000 0.298 20 F C 2.886 178.668 175.800 -0.029 0.000 1.104 20 F CA 1.844 59.808 58.000 -0.059 0.000 1.232 20 F CB -0.811 38.134 39.000 -0.093 0.000 0.987 20 F HN -0.375 7.787 8.300 -0.230 0.000 0.475 21 I N -1.387 119.273 120.570 0.151 0.000 2.163 21 I HA -0.522 3.536 4.170 -0.187 0.000 0.243 21 I C 2.073 178.214 176.117 0.039 0.000 1.085 21 I CA 3.924 65.209 61.300 -0.024 0.000 1.347 21 I CB -0.235 37.767 38.000 0.003 0.000 1.044 21 I HN -0.131 8.173 8.210 0.156 0.000 0.408 22 T N -3.447 111.231 114.554 0.207 0.000 3.113 22 T HA -0.199 4.392 4.350 0.401 0.000 0.263 22 T C 0.389 175.274 174.700 0.309 0.000 1.143 22 T CA 2.399 64.682 62.100 0.305 0.000 1.090 22 T CB -0.205 68.800 68.868 0.228 0.000 0.922 22 T HN -0.072 8.293 8.240 0.208 0.000 0.521 23 H N 1.146 120.315 119.070 0.165 0.000 2.505 23 H HA 0.089 4.742 4.556 0.161 0.000 0.286 23 H C -0.941 174.449 175.328 0.102 0.000 1.072 23 H CA -0.616 55.515 56.048 0.140 0.000 1.141 23 H CB -0.188 29.637 29.762 0.104 0.000 1.550 23 H HN -0.703 7.620 8.280 0.381 0.186 0.547 24 A N 1.808 124.730 122.820 0.171 0.000 2.483 24 A HA 0.083 4.383 4.320 -0.033 0.000 0.238 24 A C -1.689 175.993 177.584 0.164 0.000 1.070 24 A CA -1.085 50.977 52.037 0.041 0.000 0.770 24 A CB -0.566 18.331 19.000 -0.173 0.000 1.008 24 A HN -0.741 7.433 8.150 0.154 0.068 0.497 25 P HA 0.291 4.752 4.420 0.068 0.000 0.276 25 P C -2.025 175.342 177.300 0.111 0.000 1.244 25 P CA -1.695 61.429 63.100 0.040 0.000 0.801 25 P CB -0.573 31.054 31.700 -0.121 0.000 1.006 26 P HA -0.285 4.218 4.420 0.138 0.000 0.262 26 P C 0.825 177.864 177.300 -0.434 0.000 1.182 26 P CA 0.771 63.891 63.100 0.033 0.000 0.761 26 P CB 0.070 31.904 31.700 0.223 0.000 0.795 27 G N 3.892 112.298 108.800 -0.657 0.000 2.155 27 G HA2 -0.348 3.233 3.960 -0.630 0.000 0.257 27 G HA3 -0.348 2.441 3.960 -1.951 0.000 0.257 27 G C -0.360 174.349 174.900 -0.318 0.000 0.983 27 G CA 0.766 45.282 45.100 -0.972 0.000 0.676 27 G HN 0.359 8.532 8.290 -0.194 0.000 0.528 28 E N -2.725 117.401 120.200 -0.123 0.000 2.876 28 E HA 0.332 4.804 4.350 -0.077 -0.168 0.208 28 E C -0.450 176.107 176.600 -0.072 0.000 0.981 28 E CA -2.121 54.228 56.400 -0.086 0.000 1.174 28 E CB 0.966 30.591 29.700 -0.126 0.000 1.047 28 E HN -0.587 7.692 8.360 -0.051 0.051 0.477 29 F N 3.939 123.779 119.950 -0.182 0.000 2.065 29 F HA -0.431 3.812 4.527 -0.474 0.000 0.298 29 F C 0.729 176.405 175.800 -0.206 0.000 1.112 29 F CA 4.848 62.639 58.000 -0.348 0.000 1.212 29 F CB 0.007 38.723 39.000 -0.473 0.000 0.975 29 F HN 0.376 8.764 8.300 0.147 0.000 0.476 30 N N -1.671 117.026 118.700 -0.005 0.000 2.104 30 N HA -0.302 4.426 4.740 -0.019 0.000 0.190 30 N C 1.847 177.322 175.510 -0.058 0.000 1.024 30 N CA 3.941 56.990 53.050 -0.001 0.000 0.853 30 N CB -1.083 37.469 38.487 0.109 0.000 1.008 30 N HN 0.100 8.576 8.380 0.161 0.000 0.424 31 E N -0.077 120.076 120.200 -0.078 0.000 2.058 31 E HA -0.306 4.014 4.350 -0.050 0.000 0.194 31 E C 2.103 178.615 176.600 -0.147 0.000 0.997 31 E CA 3.583 59.930 56.400 -0.088 0.000 0.801 31 E CB -0.554 29.092 29.700 -0.090 0.000 0.746 31 E HN 0.002 8.323 8.360 -0.065 0.000 0.450 32 V N 0.288 120.070 119.914 -0.220 0.000 2.343 32 V HA -0.363 3.627 4.120 -0.217 0.000 0.247 32 V C 1.980 177.909 176.094 -0.274 0.000 1.051 32 V CA 4.061 66.206 62.300 -0.257 0.000 1.036 32 V CB -0.471 31.173 31.823 -0.299 0.000 0.654 32 V HN -0.535 7.516 8.190 -0.232 0.000 0.451 33 F N 1.724 121.348 119.950 -0.543 0.000 2.102 33 F HA -0.453 3.793 4.527 -0.467 0.000 0.298 33 F C 1.463 177.125 175.800 -0.230 0.000 1.105 33 F CA 3.851 61.555 58.000 -0.493 0.000 1.239 33 F CB 0.025 38.612 39.000 -0.689 0.000 0.991 33 F HN 0.477 8.459 8.300 -0.414 0.070 0.474 34 N N -0.994 117.616 118.700 -0.150 0.000 2.166 34 N HA -0.364 4.250 4.740 -0.210 0.000 0.186 34 N C 2.239 177.631 175.510 -0.197 0.000 1.019 34 N CA 3.680 56.637 53.050 -0.156 0.000 0.856 34 N CB -0.507 37.963 38.487 -0.029 0.000 0.993 34 N HN 0.226 8.481 8.380 -0.030 0.107 0.426 35 D N 1.041 121.334 120.400 -0.177 0.000 2.092 35 D HA -0.232 4.335 4.640 -0.122 0.000 0.193 35 D C 2.491 178.690 176.300 -0.168 0.000 0.994 35 D CA 3.323 57.230 54.000 -0.154 0.000 0.828 35 D CB -0.286 40.420 40.800 -0.155 0.000 0.963 35 D HN -0.082 8.105 8.370 -0.170 0.081 0.450 36 V N -0.047 119.745 119.914 -0.203 0.000 2.332 36 V HA -0.481 3.605 4.120 -0.056 0.000 0.248 36 V C 1.905 177.867 176.094 -0.221 0.000 1.055 36 V CA 4.110 66.316 62.300 -0.157 0.000 1.038 36 V CB -0.636 31.106 31.823 -0.134 0.000 0.651 36 V HN 0.034 8.084 8.190 -0.232 0.000 0.450 37 R N 0.015 120.284 120.500 -0.386 0.000 2.083 37 R HA -0.365 3.783 4.340 -0.320 0.000 0.237 37 R C 2.764 178.955 176.300 -0.180 0.000 1.137 37 R CA 3.951 59.841 56.100 -0.351 0.000 0.951 37 R CB -0.150 29.860 30.300 -0.482 0.000 0.851 37 R HN 0.078 8.042 8.270 -0.511 0.000 0.434 38 L N -2.501 118.632 121.223 -0.149 0.000 2.217 38 L HA -0.116 4.179 4.340 -0.075 0.000 0.211 38 L C 2.070 178.898 176.870 -0.069 0.000 1.107 38 L CA 2.397 57.183 54.840 -0.090 0.000 0.783 38 L CB -0.829 41.185 42.059 -0.074 0.000 0.919 38 L HN -0.266 7.857 8.230 -0.177 0.000 0.442 39 L N -2.562 118.618 121.223 -0.072 0.000 2.068 39 L HA -0.249 4.071 4.340 -0.034 0.000 0.204 39 L C 1.832 178.684 176.870 -0.031 0.000 1.076 39 L CA 2.426 57.242 54.840 -0.040 0.000 0.753 39 L CB 0.186 42.233 42.059 -0.020 0.000 0.910 39 L HN -0.351 7.694 8.230 -0.097 0.127 0.439 40 L N -3.120 118.076 121.223 -0.045 0.000 2.083 40 L HA -0.269 4.055 4.340 -0.026 0.000 0.209 40 L C 0.106 176.954 176.870 -0.037 0.000 1.083 40 L CA 1.583 56.400 54.840 -0.040 0.000 0.752 40 L CB 0.078 42.103 42.059 -0.057 0.000 0.899 40 L HN 0.357 8.434 8.230 -0.066 0.114 0.433 41 N N -1.835 116.837 118.700 -0.046 0.000 2.725 41 N HA -0.372 4.345 4.740 -0.039 0.000 0.251 41 N C -1.427 174.068 175.510 -0.025 0.000 1.031 41 N CA 1.348 54.377 53.050 -0.035 0.000 0.720 41 N CB -1.143 37.328 38.487 -0.026 0.000 0.930 41 N HN -0.444 7.888 8.380 -0.063 0.011 0.543 42 N N -1.942 116.742 118.700 -0.026 0.000 2.932 42 N HA 0.089 4.824 4.740 -0.009 0.000 0.242 42 N C -1.241 174.265 175.510 -0.007 0.000 1.351 42 N CA -0.093 52.949 53.050 -0.013 0.000 0.785 42 N CB 1.041 39.522 38.487 -0.011 0.000 1.501 42 N HN -0.437 7.920 8.380 -0.038 0.000 0.584 43 D N 5.423 125.823 120.400 -0.000 0.000 2.218 43 D HA -0.276 4.374 4.640 0.017 0.000 0.204 43 D C 1.448 177.767 176.300 0.031 0.000 0.976 43 D CA 2.837 56.848 54.000 0.018 0.000 0.853 43 D CB -0.021 40.794 40.800 0.026 0.000 0.939 43 D HN 0.430 8.799 8.370 -0.002 0.000 0.481 44 N N -0.163 118.550 118.700 0.021 0.000 2.084 44 N HA -0.222 4.534 4.740 0.027 0.000 0.190 44 N C 2.251 177.777 175.510 0.027 0.000 1.030 44 N CA 2.840 55.903 53.050 0.022 0.000 0.849 44 N CB -0.026 38.469 38.487 0.013 0.000 1.012 44 N HN -0.617 7.834 8.380 0.013 -0.063 0.423 45 L N -1.317 119.918 121.223 0.020 0.000 2.093 45 L HA -0.232 4.121 4.340 0.022 0.000 0.208 45 L C 2.671 179.566 176.870 0.041 0.000 1.085 45 L CA 2.360 57.213 54.840 0.022 0.000 0.755 45 L CB -0.065 41.998 42.059 0.007 0.000 0.904 45 L HN -0.457 8.058 8.230 0.012 -0.277 0.435 46 L N -0.110 121.139 121.223 0.045 0.000 2.079 46 L HA -0.337 4.049 4.340 0.077 0.000 0.210 46 L C 1.222 178.184 176.870 0.153 0.000 1.081 46 L CA 3.030 57.919 54.840 0.083 0.000 0.752 46 L CB -0.168 41.920 42.059 0.050 0.000 0.896 46 L HN -0.091 8.081 8.230 0.028 0.075 0.433 47 R N -4.154 116.417 120.500 0.119 0.000 2.235 47 R HA -0.266 4.165 4.340 0.152 0.000 0.213 47 R C 2.179 178.533 176.300 0.088 0.000 1.059 47 R CA 2.365 58.532 56.100 0.113 0.000 0.997 47 R CB -0.536 29.807 30.300 0.071 0.000 0.884 47 R HN -0.454 7.856 8.270 0.087 0.012 0.462 48 E N -1.897 118.350 120.200 0.077 0.000 2.085 48 E HA -0.190 4.185 4.350 0.042 0.000 0.194 48 E C 1.230 177.881 176.600 0.085 0.000 0.994 48 E CA 2.138 58.575 56.400 0.061 0.000 0.801 48 E CB -0.081 29.646 29.700 0.046 0.000 0.743 48 E HN -0.515 7.722 8.360 0.074 0.168 0.453 49 G N -4.034 104.845 108.800 0.131 0.000 3.441 49 G HA2 0.349 4.415 3.960 0.178 0.000 0.263 49 G HA3 0.349 4.419 3.960 0.183 0.000 0.263 49 G C -0.461 174.598 174.900 0.265 0.000 1.014 49 G CA -0.661 44.551 45.100 0.187 0.000 0.833 49 G HN -0.592 7.779 8.290 0.135 0.000 0.514 50 A N 2.470 125.458 122.820 0.281 0.000 1.837 50 A HA -0.333 4.386 4.320 0.665 0.000 0.216 50 A C 1.172 178.994 177.584 0.396 0.000 1.210 50 A CA 3.477 55.785 52.037 0.452 0.000 0.632 50 A CB -0.704 18.500 19.000 0.340 0.000 0.843 50 A HN -0.500 7.668 8.150 0.218 0.112 0.448 51 A N -2.242 120.615 122.820 0.063 0.000 1.915 51 A HA -0.514 3.644 4.320 -0.270 0.000 0.220 51 A C 1.046 178.688 177.584 0.095 0.000 1.198 51 A CA 3.578 55.579 52.037 -0.059 0.000 0.647 51 A CB -1.241 17.710 19.000 -0.082 0.000 0.825 51 A HN 0.508 8.668 8.150 0.017 0.000 0.456 52 H N -0.883 118.223 119.070 0.060 0.000 2.387 52 H HA -0.377 4.196 4.556 0.027 0.000 0.299 52 H C 1.363 176.783 175.328 0.154 0.000 1.090 52 H CA 2.480 58.572 56.048 0.073 0.000 1.332 52 H CB -0.135 29.668 29.762 0.069 0.000 1.386 52 H HN -0.079 8.350 8.280 0.253 0.002 0.516 53 A N -0.228 122.739 122.820 0.245 0.000 1.858 53 A HA -0.341 4.025 4.320 0.076 0.000 0.216 53 A C 1.823 179.582 177.584 0.291 0.000 1.190 53 A CA 3.278 55.448 52.037 0.221 0.000 0.617 53 A CB -0.615 18.564 19.000 0.299 0.000 0.827 53 A HN 0.224 8.475 8.150 0.343 0.105 0.443 54 F N -1.352 118.675 119.950 0.128 0.000 2.091 54 F HA -0.472 4.076 4.527 0.035 0.000 0.299 54 F C 1.900 177.800 175.800 0.166 0.000 1.103 54 F CA 3.634 61.682 58.000 0.079 0.000 1.228 54 F CB -0.882 38.117 39.000 -0.002 0.000 0.984 54 F HN 0.118 8.959 8.300 0.902 0.000 0.477 55 A N -1.487 121.397 122.820 0.106 0.000 1.865 55 A HA -0.201 4.480 4.320 0.602 0.000 0.217 55 A C 2.292 180.045 177.584 0.282 0.000 1.191 55 A CA 2.726 54.858 52.037 0.158 0.000 0.623 55 A CB -0.759 18.235 19.000 -0.011 0.000 0.826 55 A HN 0.134 8.292 8.150 0.013 0.000 0.444 56 Q N -0.624 119.262 119.800 0.142 0.000 2.061 56 Q HA -0.332 4.053 4.340 0.075 0.000 0.204 56 Q C 1.812 177.884 176.000 0.119 0.000 0.984 56 Q CA 2.773 58.621 55.803 0.075 0.000 0.846 56 Q CB -0.481 28.217 28.738 -0.067 0.000 0.902 56 Q HN -0.356 7.962 8.270 0.080 0.000 0.421 57 Y N 1.141 121.473 120.300 0.053 0.000 2.036 57 Y HA -0.438 4.232 4.550 0.014 -0.111 0.273 57 Y C 1.921 177.835 175.900 0.023 0.000 1.135 57 Y CA 3.668 61.790 58.100 0.036 0.000 1.106 57 Y CB -0.125 38.365 38.460 0.051 0.000 0.976 57 Y HN 0.114 8.575 8.280 0.302 0.000 0.483 58 N N -1.374 117.390 118.700 0.107 0.000 2.132 58 N HA -0.429 4.213 4.740 -0.162 0.000 0.191 58 N C 2.471 177.933 175.510 -0.081 0.000 1.015 58 N CA 3.213 56.251 53.050 -0.019 0.000 0.864 58 N CB -0.343 38.239 38.487 0.158 0.000 1.006 58 N HN -0.333 8.252 8.380 0.341 0.000 0.430 59 M N -0.263 119.348 119.600 0.018 0.000 2.077 59 M HA -0.239 4.459 4.480 0.008 -0.214 0.261 59 M C 2.702 179.028 176.300 0.044 0.000 1.070 59 M CA 4.121 59.446 55.300 0.042 0.000 1.125 59 M CB 0.547 33.221 32.600 0.124 0.000 1.339 59 M HN 0.046 8.388 8.290 0.113 0.015 0.409 60 D N -2.279 118.078 120.400 -0.072 0.000 2.348 60 D HA -0.226 4.304 4.640 -0.183 0.000 0.216 60 D C 1.570 177.665 176.300 -0.342 0.000 0.970 60 D CA 2.493 56.377 54.000 -0.194 0.000 0.889 60 D CB -0.939 39.742 40.800 -0.198 0.000 0.912 60 D HN 0.286 8.617 8.370 -0.064 0.000 0.524 61 Q N -2.208 117.408 119.800 -0.306 0.000 2.360 61 Q HA 0.114 4.248 4.340 -0.343 0.000 0.202 61 Q C -0.278 175.684 176.000 -0.064 0.000 0.915 61 Q CA -0.974 54.636 55.803 -0.321 0.000 0.943 61 Q CB -0.029 28.382 28.738 -0.546 0.000 1.064 61 Q HN -0.313 7.648 8.270 -0.270 0.147 0.511 62 F N -4.571 115.298 119.950 -0.135 0.000 2.969 62 F HA -0.337 4.319 4.527 -0.082 -0.178 0.273 62 F C 0.579 176.314 175.800 -0.110 0.000 0.986 62 F CA 0.019 57.971 58.000 -0.080 0.000 0.926 62 F CB -3.636 35.367 39.000 0.006 0.000 0.887 62 F HN -0.589 7.643 8.300 0.190 0.182 0.816 63 T N 4.189 118.728 114.554 -0.025 0.000 2.765 63 T HA 0.014 4.319 4.350 -0.076 0.000 0.284 63 T C -1.687 172.901 174.700 -0.187 0.000 0.946 63 T CA 0.314 62.340 62.100 -0.124 0.000 1.185 63 T CB 0.242 68.997 68.868 -0.189 0.000 0.887 63 T HN -0.140 8.066 8.240 -0.057 0.000 0.532 64 P HA 0.111 4.561 4.420 -0.231 -0.168 0.276 64 P C -1.382 175.749 177.300 -0.281 0.000 1.253 64 P CA -0.530 62.452 63.100 -0.195 0.000 0.766 64 P CB 0.314 31.977 31.700 -0.061 0.000 0.845 65 V N 4.158 123.844 119.914 -0.380 0.000 2.960 65 V HA 0.258 4.242 4.120 -0.227 0.000 0.315 65 V C -1.784 174.086 176.094 -0.373 0.000 1.087 65 V CA -2.781 59.311 62.300 -0.347 0.000 0.982 65 V CB 4.946 36.503 31.823 -0.444 0.000 1.039 65 V HN 0.959 8.900 8.190 -0.415 0.000 0.437 66 K N 6.627 126.870 120.400 -0.262 0.000 2.389 66 K HA 0.537 4.955 4.320 -0.268 -0.258 0.261 66 K C -0.702 175.789 176.600 -0.182 0.000 1.014 66 K CA -2.264 53.889 56.287 -0.224 0.000 0.920 66 K CB 0.497 32.908 32.500 -0.148 0.000 1.149 66 K HN 0.174 8.318 8.250 -0.178 0.000 0.444 67 I N 7.131 127.559 120.570 -0.236 0.000 2.813 67 I HA -0.155 4.094 4.170 -0.173 -0.183 0.287 67 I C 1.173 177.289 176.117 -0.002 0.000 1.196 67 I CA -0.717 60.486 61.300 -0.162 0.000 1.421 67 I CB 1.613 39.482 38.000 -0.219 0.000 1.365 67 I HN 0.921 9.245 8.210 -0.296 -0.292 0.591 68 E N 9.123 129.346 120.200 0.039 0.000 2.399 68 E HA -0.447 3.927 4.350 0.039 0.000 0.231 68 E C -0.380 176.262 176.600 0.071 0.000 1.124 68 E CA 2.646 59.084 56.400 0.065 0.000 0.941 68 E CB 0.113 29.866 29.700 0.087 0.000 0.790 68 E HN 0.423 8.801 8.360 0.031 0.000 0.461 69 G N -6.211 102.664 108.800 0.126 0.000 5.473 69 G HA2 -0.062 3.922 3.960 0.039 0.000 0.206 69 G HA3 -0.062 3.917 3.960 0.031 0.000 0.206 69 G C -1.195 173.742 174.900 0.061 0.000 0.904 69 G CA -0.097 45.044 45.100 0.069 0.000 0.697 69 G HN -0.200 8.174 8.290 0.218 0.047 0.279 70 Y N -0.329 119.950 120.300 -0.036 0.000 2.462 70 Y HA -0.017 4.523 4.550 -0.017 0.000 0.261 70 Y C 0.030 175.908 175.900 -0.037 0.000 1.146 70 Y CA -0.139 57.942 58.100 -0.031 0.000 1.283 70 Y CB 0.917 39.358 38.460 -0.032 0.000 1.090 70 Y HN 0.171 8.825 8.280 0.271 -0.212 0.526 71 D N -2.886 117.559 120.400 0.076 0.000 3.076 71 D HA -0.377 4.268 4.640 0.009 0.000 0.218 71 D C -0.313 176.002 176.300 0.025 0.000 1.156 71 D CA 1.382 55.401 54.000 0.031 0.000 0.921 71 D CB -1.088 39.727 40.800 0.026 0.000 1.113 71 D HN 0.291 8.698 8.370 0.063 0.000 0.418 72 D N -2.747 117.672 120.400 0.031 0.000 2.379 72 D HA -0.204 4.435 4.640 -0.001 0.000 0.243 72 D C -0.076 176.117 176.300 -0.179 0.000 1.088 72 D CA 0.113 54.091 54.000 -0.037 0.000 0.925 72 D CB -1.117 39.658 40.800 -0.042 0.000 0.888 72 D HN 0.254 8.578 8.370 0.073 0.090 0.529 73 Q N -0.844 118.795 119.800 -0.268 0.000 3.553 73 Q HA -0.371 3.849 4.340 -0.550 -0.210 0.363 73 Q C -0.313 175.458 176.000 -0.382 0.000 1.136 73 Q CA 0.533 56.014 55.803 -0.537 0.000 1.269 73 Q CB -1.377 26.649 28.738 -1.188 0.000 0.995 73 Q HN -0.355 7.733 8.270 -0.208 0.058 0.442 74 V N 4.376 124.073 119.914 -0.362 0.000 2.630 74 V HA 0.228 4.231 4.120 -0.194 0.000 0.305 74 V C -2.193 173.741 176.094 -0.266 0.000 1.046 74 V CA -3.268 58.870 62.300 -0.269 0.000 0.934 74 V CB 3.353 35.022 31.823 -0.257 0.000 1.003 74 V HN 0.753 8.692 8.190 -0.419 0.000 0.451 75 L N 7.607 128.721 121.223 -0.182 0.000 2.260 75 L HA 0.161 4.383 4.340 -0.196 0.000 0.289 75 L C -0.708 176.064 176.870 -0.164 0.000 1.057 75 L CA -1.072 53.659 54.840 -0.182 0.000 0.811 75 L CB -0.039 41.892 42.059 -0.214 0.000 1.184 75 L HN 0.302 8.435 8.230 -0.162 0.000 0.429 76 I N 5.729 126.122 120.570 -0.296 0.000 2.494 76 I HA -0.083 3.765 4.170 -0.536 0.000 0.289 76 I C -0.790 175.179 176.117 -0.247 0.000 1.106 76 I CA 1.244 62.249 61.300 -0.491 0.000 1.369 76 I CB -1.001 36.486 38.000 -0.855 0.000 1.410 76 I HN 0.042 8.056 8.210 -0.327 0.000 0.523 77 T N 3.127 117.615 114.554 -0.111 0.000 2.804 77 T HA 0.475 5.095 4.350 0.143 -0.184 0.290 77 T C 0.729 175.488 174.700 0.099 0.000 1.099 77 T CA -2.764 59.373 62.100 0.063 0.000 1.011 77 T CB 2.860 71.777 68.868 0.082 0.000 1.291 77 T HN -0.490 7.697 8.240 -0.088 0.000 0.523 78 E N 0.047 120.231 120.200 -0.026 0.000 2.072 78 E HA -0.256 4.163 4.350 0.116 0.000 0.191 78 E C 1.493 177.987 176.600 -0.177 0.000 0.985 78 E CA 3.068 59.422 56.400 -0.077 0.000 0.801 78 E CB -0.794 28.776 29.700 -0.217 0.000 0.750 78 E HN 0.511 8.836 8.360 -0.059 0.000 0.452 79 H N -1.593 117.361 119.070 -0.193 0.000 2.460 79 H HA -0.201 4.173 4.556 -0.304 0.000 0.297 79 H C 1.320 176.243 175.328 -0.675 0.000 1.103 79 H CA 1.784 57.533 56.048 -0.498 0.000 1.292 79 H CB -0.572 28.722 29.762 -0.779 0.000 1.376 79 H HN -0.371 7.460 8.280 -0.748 0.000 0.531 80 G N -4.281 104.295 108.800 -0.373 0.000 3.088 80 G HA2 -0.017 3.862 3.960 -0.135 0.000 0.217 80 G HA3 -0.017 4.085 3.960 0.237 0.000 0.217 80 G C -1.413 173.594 174.900 0.179 0.000 1.159 80 G CA -0.724 44.363 45.100 -0.022 0.000 0.760 80 G HN -0.650 7.368 8.290 -0.205 0.148 0.550 81 D N 1.567 121.994 120.400 0.044 0.000 2.348 81 D HA -0.079 3.704 4.640 -1.427 0.000 0.259 81 D C 0.590 176.662 176.300 -0.380 0.000 1.296 81 D CA -0.123 53.602 54.000 -0.459 0.000 0.931 81 D CB -0.582 40.093 40.800 -0.209 0.000 1.067 81 D HN -0.180 8.009 8.370 0.043 0.206 0.503 82 L N 5.420 126.372 121.223 -0.452 0.000 2.013 82 L HA -0.351 3.875 4.340 -0.189 0.000 0.212 82 L C 1.575 178.311 176.870 -0.224 0.000 1.073 82 L CA 2.006 56.683 54.840 -0.271 0.000 0.753 82 L CB 0.188 42.092 42.059 -0.258 0.000 0.890 82 L HN 0.741 8.478 8.230 -0.654 0.101 0.432 83 G N -4.416 104.220 108.800 -0.273 0.000 2.284 83 G HA2 -0.382 3.470 3.960 -0.180 0.000 0.201 83 G HA3 -0.382 3.495 3.960 -0.138 0.000 0.201 83 G C -0.107 174.702 174.900 -0.151 0.000 0.998 83 G CA -0.127 44.863 45.100 -0.182 0.000 0.651 83 G HN -0.317 7.834 8.290 -0.394 -0.097 0.489 84 N N 1.964 120.568 118.700 -0.160 0.000 2.280 84 N HA 0.022 4.708 4.740 -0.090 0.000 0.192 84 N C 0.558 176.005 175.510 -0.106 0.000 1.109 84 N CA -0.603 52.379 53.050 -0.113 0.000 0.855 84 N CB 0.558 38.989 38.487 -0.093 0.000 0.974 84 N HN 0.064 8.259 8.380 -0.195 0.069 0.482 85 G N 0.118 108.826 108.800 -0.155 0.000 2.143 85 G HA2 -0.248 3.675 3.960 -0.063 0.000 0.175 85 G HA3 -0.248 3.693 3.960 -0.031 0.000 0.175 85 G C -2.102 172.741 174.900 -0.095 0.000 1.004 85 G CA -0.021 45.028 45.100 -0.085 0.000 0.671 85 G HN 0.200 8.289 8.290 -0.234 0.061 0.512 86 R N -2.783 117.557 120.500 -0.266 0.000 2.837 86 R HA 0.613 4.956 4.340 -0.127 -0.079 0.271 86 R C -2.127 173.808 176.300 -0.608 0.000 0.993 86 R CA -1.427 54.500 56.100 -0.288 0.000 0.931 86 R CB 4.197 34.382 30.300 -0.192 0.000 1.206 86 R HN -0.644 7.393 8.270 -0.321 0.041 0.474 87 F N -1.851 117.707 119.950 -0.653 0.000 2.618 87 F HA 0.981 5.536 4.527 -0.354 -0.240 0.332 87 F C -0.742 174.629 175.800 -0.715 0.000 1.061 87 F CA -1.565 56.015 58.000 -0.700 0.000 0.974 87 F CB 4.321 42.879 39.000 -0.736 0.000 1.310 87 F HN 0.605 8.468 8.300 -0.728 0.000 0.491 88 L N -1.166 120.034 121.223 -0.038 0.000 2.322 88 L HA 0.257 4.594 4.340 -0.004 0.000 0.279 88 L C -0.876 176.174 176.870 0.300 0.000 1.036 88 L CA -0.320 54.574 54.840 0.090 0.000 0.807 88 L CB 1.912 44.069 42.059 0.162 0.000 1.226 88 L HN 0.482 8.677 8.230 0.150 0.125 0.433 89 D N 1.558 122.105 120.400 0.245 0.000 2.460 89 D HA 0.430 5.207 4.640 0.228 0.000 0.268 89 D C -1.222 175.134 176.300 0.093 0.000 1.153 89 D CA -3.494 50.625 54.000 0.198 0.000 0.929 89 D CB 1.108 41.988 40.800 0.134 0.000 1.015 89 D HN -0.384 8.082 8.370 0.159 0.000 0.502 90 P HA -0.322 4.152 4.420 0.090 0.000 0.217 90 P C 1.236 178.549 177.300 0.022 0.000 1.148 90 P CA 1.988 65.122 63.100 0.057 0.000 0.828 90 P CB 0.782 32.495 31.700 0.021 0.000 0.783 91 R N -2.666 117.829 120.500 -0.009 0.000 2.070 91 R HA -0.362 3.987 4.340 0.015 0.000 0.227 91 R C 1.656 177.978 176.300 0.036 0.000 1.147 91 R CA 3.174 59.279 56.100 0.007 0.000 0.924 91 R CB -0.152 30.144 30.300 -0.007 0.000 0.827 91 R HN -0.517 7.804 8.270 -0.036 -0.072 0.431 92 N N -3.163 115.551 118.700 0.024 0.000 2.396 92 N HA -0.180 4.648 4.740 0.146 0.000 0.180 92 N C 0.259 175.796 175.510 0.046 0.000 1.028 92 N CA 1.253 54.342 53.050 0.065 0.000 0.893 92 N CB 0.404 38.859 38.487 -0.054 0.000 0.967 92 N HN -0.476 8.157 8.380 -0.011 -0.259 0.440 93 K N -6.751 113.660 120.400 0.018 0.000 3.230 93 K HA -0.457 4.005 4.320 0.047 -0.114 0.285 93 K C -1.554 175.062 176.600 0.025 0.000 1.196 93 K CA 1.038 57.347 56.287 0.037 0.000 0.838 93 K CB -2.612 29.921 32.500 0.055 0.000 1.262 93 K HN 0.271 8.403 8.250 0.010 0.125 0.492 94 I N -8.252 112.303 120.570 -0.025 0.000 3.830 94 I HA 0.308 4.492 4.170 0.023 0.000 0.272 94 I C -1.115 175.019 176.117 0.028 0.000 1.333 94 I CA -2.084 59.207 61.300 -0.014 0.000 1.006 94 I CB 2.362 40.292 38.000 -0.118 0.000 1.472 94 I HN -0.881 7.282 8.210 -0.079 0.000 0.604 95 S N -0.892 114.830 115.700 0.037 0.000 2.500 95 S HA 0.653 5.219 4.470 -0.059 -0.131 0.301 95 S C -1.033 173.622 174.600 0.092 0.000 1.092 95 S CA -2.370 55.831 58.200 0.002 0.000 1.030 95 S CB 1.968 65.158 63.200 -0.017 0.000 1.031 95 S HN 0.090 8.340 8.310 0.042 0.085 0.483 96 F N 2.388 122.367 119.950 0.048 0.000 2.569 96 F HA 0.421 4.979 4.527 0.052 0.000 0.312 96 F C -2.744 173.142 175.800 0.142 0.000 1.109 96 F CA -2.109 55.933 58.000 0.070 0.000 0.919 96 F CB 3.324 42.349 39.000 0.042 0.000 1.211 96 F HN 0.258 8.312 8.300 -0.411 0.000 0.446 97 K N 3.615 124.202 120.400 0.313 0.000 2.248 97 K HA 0.217 4.635 4.320 0.163 0.000 0.281 97 K C -2.163 174.708 176.600 0.452 0.000 1.054 97 K CA -1.532 54.909 56.287 0.257 0.000 0.903 97 K CB 1.673 34.258 32.500 0.141 0.000 1.077 97 K HN -0.076 8.354 8.250 0.301 0.000 0.474 98 F N 7.170 127.327 119.950 0.345 0.000 2.391 98 F HA 0.026 4.689 4.527 0.226 0.000 0.359 98 F C -1.811 174.053 175.800 0.106 0.000 1.122 98 F CA -1.653 56.504 58.000 0.262 0.000 1.120 98 F CB 1.483 40.662 39.000 0.298 0.000 1.142 98 F HN -0.150 8.491 8.300 0.569 0.000 0.483 99 D N 8.451 128.554 120.400 -0.495 0.000 2.316 99 D HA -0.079 4.444 4.640 -0.194 0.000 0.245 99 D C -0.796 174.976 176.300 -0.879 0.000 1.171 99 D CA -0.597 53.139 54.000 -0.439 0.000 0.856 99 D CB 1.373 42.022 40.800 -0.252 0.000 1.090 99 D HN -0.142 8.010 8.370 -0.365 0.000 0.476 100 H N 3.741 122.476 119.070 -0.559 0.000 2.428 100 H HA -0.115 4.058 4.556 -0.640 0.000 0.296 100 H C 0.942 176.150 175.328 -0.200 0.000 1.062 100 H CA 2.299 58.101 56.048 -0.410 0.000 1.350 100 H CB 0.578 30.282 29.762 -0.096 0.000 1.403 100 H HN 0.332 8.578 8.280 -0.057 0.000 0.533 101 L N -1.542 119.596 121.223 -0.142 0.000 1.993 101 L HA -0.144 4.307 4.340 0.186 0.000 0.206 101 L C 0.312 177.160 176.870 -0.037 0.000 1.074 101 L CA 1.129 55.952 54.840 -0.029 0.000 0.746 101 L CB 0.455 42.451 42.059 -0.105 0.000 0.896 101 L HN -0.609 7.564 8.230 -0.214 -0.071 0.435 102 R N -1.779 118.662 120.500 -0.097 0.000 2.811 102 R HA -0.145 4.179 4.340 -0.027 0.000 0.265 102 R C -0.721 175.519 176.300 -0.100 0.000 1.026 102 R CA 0.719 56.773 56.100 -0.076 0.000 1.142 102 R CB 0.373 30.625 30.300 -0.080 0.000 1.027 102 R HN -0.395 8.034 8.270 -0.126 -0.234 0.465 103 K N 0.243 120.625 120.400 -0.030 0.000 2.155 103 K HA -0.245 4.094 4.320 0.032 0.000 0.203 103 K C 0.358 176.967 176.600 0.015 0.000 1.052 103 K CA 1.662 57.955 56.287 0.010 0.000 0.948 103 K CB 0.298 32.820 32.500 0.038 0.000 0.728 103 K HN 0.214 8.458 8.250 -0.011 0.000 0.448 104 E N -2.428 117.762 120.200 -0.017 0.000 2.319 104 E HA -0.037 4.335 4.350 0.037 0.000 0.268 104 E C -1.616 174.979 176.600 -0.009 0.000 1.050 104 E CA -0.675 55.727 56.400 0.004 0.000 0.878 104 E CB 0.709 30.410 29.700 0.002 0.000 1.066 104 E HN -0.465 7.878 8.360 -0.029 0.000 0.406 105 A N 3.752 126.619 122.820 0.078 0.000 2.410 105 A HA 0.547 4.974 4.320 0.109 -0.042 0.289 105 A C -1.744 175.920 177.584 0.132 0.000 1.200 105 A CA -0.481 51.661 52.037 0.176 0.000 0.751 105 A CB 1.310 20.591 19.000 0.469 0.000 1.161 105 A HN 0.580 8.765 8.150 0.058 0.000 0.459 106 S N 2.983 118.755 115.700 0.119 0.000 2.874 106 S HA 0.362 4.900 4.470 0.114 0.000 0.318 106 S C -1.887 172.788 174.600 0.126 0.000 1.109 106 S CA -1.793 56.472 58.200 0.108 0.000 0.878 106 S CB 1.927 65.166 63.200 0.066 0.000 1.307 106 S HN 0.128 8.497 8.310 0.099 0.000 0.592 107 D N -2.481 117.980 120.400 0.103 0.000 2.828 107 D HA -0.199 4.493 4.640 0.085 0.000 0.241 107 D C -2.546 173.820 176.300 0.110 0.000 1.142 107 D CA -0.088 53.967 54.000 0.092 0.000 0.755 107 D CB -2.074 38.766 40.800 0.068 0.000 1.014 107 D HN 0.188 8.613 8.370 0.092 0.000 0.420 108 P HA 0.019 4.708 4.420 0.156 -0.176 0.271 108 P C -0.403 176.956 177.300 0.098 0.000 1.244 108 P CA -0.118 63.064 63.100 0.136 0.000 0.793 108 P CB 1.010 32.797 31.700 0.146 0.000 0.984 109 Q N -1.631 118.216 119.800 0.079 0.000 2.285 109 Q HA 0.366 4.743 4.340 0.061 0.000 0.269 109 Q C -2.470 173.562 176.000 0.054 0.000 1.030 109 Q CA -2.404 53.433 55.803 0.057 0.000 0.788 109 Q CB 3.307 32.064 28.738 0.032 0.000 1.266 109 Q HN 0.669 8.923 8.270 0.081 0.065 0.438 110 P HA -0.128 4.337 4.420 0.076 0.000 0.266 110 P C -1.133 176.190 177.300 0.039 0.000 1.195 110 P CA 0.333 63.469 63.100 0.061 0.000 0.768 110 P CB 0.471 32.209 31.700 0.062 0.000 0.838 111 E N 3.236 123.458 120.200 0.038 0.000 3.303 111 E HA 0.146 4.507 4.350 0.019 0.000 0.215 111 E C -1.340 175.277 176.600 0.029 0.000 1.181 111 E CA -1.351 55.064 56.400 0.026 0.000 0.998 111 E CB 0.255 29.967 29.700 0.021 0.000 1.312 111 E HN -0.118 8.270 8.360 0.047 0.000 0.412 112 D N 2.171 122.587 120.400 0.027 0.000 2.472 112 D HA -0.120 4.537 4.640 0.030 0.000 0.248 112 D C 0.876 177.188 176.300 0.020 0.000 1.174 112 D CA 0.659 54.674 54.000 0.025 0.000 0.883 112 D CB 0.897 41.709 40.800 0.020 0.000 1.149 112 D HN -0.240 8.145 8.370 0.025 0.000 0.488 113 T N 1.860 116.428 114.554 0.023 0.000 2.729 113 T HA 0.016 4.380 4.350 0.022 0.000 0.298 113 T C 0.686 175.395 174.700 0.014 0.000 1.013 113 T CA -0.339 61.775 62.100 0.022 0.000 0.957 113 T CB 1.118 70.004 68.868 0.030 0.000 1.130 113 T HN -0.131 8.125 8.240 0.027 0.000 0.526 114 E N 1.165 121.373 120.200 0.014 0.000 2.170 114 E HA -0.201 4.151 4.350 0.004 0.000 0.191 114 E C -0.478 176.122 176.600 -0.000 0.000 0.981 114 E CA 0.936 57.340 56.400 0.007 0.000 0.830 114 E CB -0.430 29.276 29.700 0.010 0.000 0.775 114 E HN 0.271 8.644 8.360 0.021 0.000 0.470 115 S N -2.537 113.166 115.700 0.004 0.000 3.533 115 S HA -0.291 4.180 4.470 0.001 0.000 0.347 115 S C -0.605 173.977 174.600 -0.030 0.000 1.101 115 S CA 0.696 58.892 58.200 -0.006 0.000 1.009 115 S CB -1.746 61.450 63.200 -0.007 0.000 0.916 115 S HN -0.127 8.171 8.310 0.015 0.022 0.496 116 A N -0.598 122.205 122.820 -0.029 0.000 1.887 116 A HA -0.038 4.239 4.320 -0.072 0.000 0.210 116 A C 1.112 178.637 177.584 -0.098 0.000 1.221 116 A CA 1.393 53.395 52.037 -0.057 0.000 0.635 116 A CB -0.021 18.958 19.000 -0.035 0.000 0.881 116 A HN -0.237 7.879 8.150 -0.010 0.027 0.456 117 L N -3.333 117.860 121.223 -0.051 0.000 2.554 117 L HA 0.237 4.532 4.340 -0.183 -0.064 0.225 117 L C 0.962 177.833 176.870 0.001 0.000 1.104 117 L CA -0.084 54.725 54.840 -0.052 0.000 0.866 117 L CB -0.162 41.934 42.059 0.061 0.000 1.047 117 L HN -0.290 7.934 8.230 -0.011 0.000 0.468 118 K N -0.584 119.823 120.400 0.011 0.000 2.173 118 K HA -0.457 3.912 4.320 0.082 0.000 0.207 118 K C 1.967 178.597 176.600 0.050 0.000 1.046 118 K CA 2.927 59.240 56.287 0.044 0.000 0.929 118 K CB -1.362 31.154 32.500 0.027 0.000 0.720 118 K HN 0.145 8.342 8.250 -0.003 0.052 0.453 119 Q N -0.423 119.363 119.800 -0.023 0.000 2.014 119 Q HA -0.266 4.083 4.340 0.016 0.000 0.207 119 Q C 2.568 178.675 176.000 0.179 0.000 0.993 119 Q CA 3.420 59.218 55.803 -0.010 0.000 0.850 119 Q CB -0.573 28.054 28.738 -0.185 0.000 0.916 119 Q HN 0.044 8.233 8.270 -0.089 0.027 0.417 120 W N -1.152 120.159 121.300 0.018 0.000 2.332 120 W HA -0.424 4.229 4.660 -0.011 0.000 0.321 120 W C 2.557 179.096 176.519 0.033 0.000 1.219 120 W CA 0.924 58.281 57.345 0.019 0.000 1.277 120 W CB -0.311 29.182 29.460 0.056 0.000 1.161 120 W HN -0.626 7.567 8.180 0.023 0.000 0.476 121 R N -1.423 119.275 120.500 0.331 0.000 2.159 121 R HA -0.545 3.919 4.340 0.207 0.000 0.249 121 R C 2.092 178.473 176.300 0.135 0.000 1.136 121 R CA 3.388 59.610 56.100 0.203 0.000 0.951 121 R CB -0.563 29.832 30.300 0.159 0.000 0.876 121 R HN -0.476 8.007 8.270 0.355 0.000 0.440 122 D N -3.038 117.432 120.400 0.117 0.000 2.219 122 D HA -0.184 4.494 4.640 0.064 0.000 0.205 122 D C 1.728 178.071 176.300 0.073 0.000 0.970 122 D CA 3.159 57.207 54.000 0.080 0.000 0.851 122 D CB -0.261 40.578 40.800 0.066 0.000 0.943 122 D HN 0.327 8.662 8.370 0.126 0.111 0.488 123 A N -0.066 122.810 122.820 0.093 0.000 1.840 123 A HA -0.143 4.202 4.320 0.041 0.000 0.214 123 A C 1.919 179.519 177.584 0.027 0.000 1.198 123 A CA 3.021 55.092 52.037 0.056 0.000 0.608 123 A CB -0.417 18.621 19.000 0.064 0.000 0.839 123 A HN -0.216 7.885 8.150 0.137 0.131 0.443 124 C N -1.746 117.578 119.300 0.039 0.000 2.393 124 C HA -0.594 3.856 4.460 -0.015 0.000 0.276 124 C C 1.717 176.735 174.990 0.047 0.000 1.215 124 C CA 5.191 64.230 59.018 0.035 0.000 1.743 124 C CB -0.552 27.249 27.740 0.102 0.000 2.044 124 C HN -0.148 8.127 8.230 0.075 0.000 0.464 125 D N -0.397 120.037 120.400 0.056 0.000 2.205 125 D HA -0.394 4.266 4.640 0.033 0.000 0.190 125 D C 2.157 178.479 176.300 0.036 0.000 1.002 125 D CA 3.501 57.523 54.000 0.038 0.000 0.848 125 D CB -0.043 40.773 40.800 0.027 0.000 0.975 125 D HN -0.210 8.202 8.370 0.071 0.000 0.449 126 S N -2.791 112.929 115.700 0.034 0.000 2.603 126 S HA -0.096 4.395 4.470 0.036 0.000 0.220 126 S C 0.435 175.055 174.600 0.033 0.000 0.967 126 S CA 1.898 60.118 58.200 0.033 0.000 0.920 126 S CB 0.300 63.517 63.200 0.029 0.000 0.773 126 S HN -0.604 7.727 8.310 0.035 0.000 0.529 127 A N 0.873 123.710 122.820 0.028 0.000 1.935 127 A HA 0.018 4.348 4.320 0.016 0.000 0.214 127 A C 1.631 179.248 177.584 0.055 0.000 1.178 127 A CA 2.315 54.363 52.037 0.019 0.000 0.640 127 A CB 0.062 19.051 19.000 -0.019 0.000 0.825 127 A HN -0.466 7.518 8.150 0.027 0.183 0.447 128 L N -0.491 120.772 121.223 0.068 0.000 2.131 128 L HA -0.190 4.244 4.340 0.156 0.000 0.206 128 L C 1.326 178.291 176.870 0.157 0.000 1.087 128 L CA 2.377 57.294 54.840 0.129 0.000 0.767 128 L CB -0.058 42.064 42.059 0.104 0.000 0.917 128 L HN 0.572 8.645 8.230 0.051 0.188 0.441 129 R N -1.033 119.520 120.500 0.089 0.000 2.211 129 R HA -0.400 3.974 4.340 0.058 0.000 0.240 129 R C 1.954 178.290 176.300 0.061 0.000 1.144 129 R CA 3.409 59.548 56.100 0.064 0.000 0.992 129 R CB -0.222 30.105 30.300 0.045 0.000 0.869 129 R HN 0.040 8.176 8.270 0.069 0.176 0.462 130 A N -2.907 119.961 122.820 0.080 0.000 1.903 130 A HA -0.139 4.198 4.320 0.028 0.000 0.213 130 A C 1.230 178.874 177.584 0.100 0.000 1.185 130 A CA 2.407 54.482 52.037 0.063 0.000 0.628 130 A CB -0.544 18.490 19.000 0.057 0.000 0.830 130 A HN -0.674 7.369 8.150 0.090 0.161 0.446 131 Y N 0.503 120.833 120.300 0.049 0.000 2.128 131 Y HA -0.402 4.232 4.550 0.140 0.000 0.284 131 Y C 1.746 177.764 175.900 0.196 0.000 1.154 131 Y CA 2.897 61.075 58.100 0.130 0.000 1.149 131 Y CB -0.232 38.301 38.460 0.122 0.000 0.976 131 Y HN -0.880 7.476 8.280 0.270 0.086 0.505 132 V N -0.807 119.109 119.914 0.002 0.000 2.295 132 V HA -0.676 3.423 4.120 -0.035 0.000 0.246 132 V C 1.848 177.913 176.094 -0.049 0.000 1.049 132 V CA 4.509 66.770 62.300 -0.064 0.000 1.024 132 V CB -0.266 31.504 31.823 -0.090 0.000 0.648 132 V HN 0.539 8.825 8.190 0.159 0.000 0.447 133 K N -4.119 116.242 120.400 -0.066 0.000 2.280 133 K HA -0.254 4.003 4.320 -0.104 0.000 0.202 133 K C 0.453 176.961 176.600 -0.154 0.000 1.047 133 K CA 2.616 58.847 56.287 -0.095 0.000 0.942 133 K CB -0.341 32.120 32.500 -0.065 0.000 0.739 133 K HN -0.827 7.403 8.250 -0.032 0.000 0.457 134 D N -4.243 116.022 120.400 -0.226 0.000 2.305 134 D HA 0.054 4.498 4.640 -0.327 0.000 0.206 134 D C 0.578 176.474 176.300 -0.673 0.000 0.974 134 D CA 1.842 55.584 54.000 -0.430 0.000 0.871 134 D CB 0.620 41.116 40.800 -0.507 0.000 0.947 134 D HN -0.670 7.436 8.370 -0.178 0.157 0.516 135 H N -4.033 114.860 119.070 -0.295 0.000 3.255 135 H HA 0.063 4.383 4.556 -0.395 0.000 0.256 135 H C -0.251 174.687 175.328 -0.649 0.000 1.049 135 H CA 0.563 56.320 56.048 -0.485 0.000 1.202 135 H CB 2.589 31.930 29.762 -0.703 0.000 1.497 135 H HN -0.788 7.220 8.280 -0.262 0.115 0.503 136 Y N -0.061 120.076 120.300 -0.271 0.000 2.388 136 Y HA 0.383 4.779 4.550 -0.257 0.000 0.328 136 Y C -1.089 174.658 175.900 -0.254 0.000 0.963 136 Y CA -2.908 55.029 58.100 -0.271 0.000 1.240 136 Y CB -0.428 37.858 38.460 -0.290 0.000 1.118 136 Y HN 0.078 8.378 8.280 0.034 0.000 0.484 137 P HA -0.240 4.098 4.420 -0.136 0.000 0.217 137 P C -0.149 177.041 177.300 -0.184 0.000 1.158 137 P CA 2.371 65.388 63.100 -0.138 0.000 0.887 137 P CB 0.402 32.035 31.700 -0.113 0.000 0.792 138 N N -2.821 115.741 118.700 -0.230 0.000 2.571 138 N HA 0.131 4.625 4.740 -0.410 0.000 0.298 138 N C -1.093 174.042 175.510 -0.625 0.000 1.671 138 N CA -1.080 51.733 53.050 -0.395 0.000 0.900 138 N CB 0.506 38.783 38.487 -0.349 0.000 1.365 138 N HN -0.237 8.043 8.380 -0.166 0.000 0.493 139 G N -0.049 108.426 108.800 -0.541 0.000 2.504 139 G HA2 0.480 4.400 3.960 -0.362 0.000 0.288 139 G HA3 0.480 4.272 3.960 -0.280 0.000 0.288 139 G C -1.175 173.155 174.900 -0.950 0.000 1.182 139 G CA -0.206 44.575 45.100 -0.532 0.000 0.894 139 G HN -0.624 7.302 8.290 -0.364 0.145 0.521 140 F N -1.858 118.069 119.950 -0.038 0.000 2.645 140 F HA 0.488 4.987 4.527 -0.046 0.000 0.310 140 F C -1.715 174.043 175.800 -0.070 0.000 1.102 140 F CA -1.726 56.247 58.000 -0.045 0.000 0.952 140 F CB 4.762 43.746 39.000 -0.027 0.000 1.326 140 F HN 0.473 8.702 8.300 -0.119 0.000 0.456 141 C N -2.066 117.306 119.300 0.120 0.000 3.090 141 C HA 1.154 5.806 4.460 -0.001 -0.193 0.305 141 C C -1.291 173.665 174.990 -0.056 0.000 1.292 141 C CA -2.621 56.405 59.018 0.014 0.000 1.482 141 C CB 4.452 32.200 27.740 0.013 0.000 1.897 141 C HN 0.654 8.983 8.230 0.165 0.000 0.469 142 T N 3.769 118.230 114.554 -0.154 0.000 3.143 142 T HA 0.260 4.463 4.350 -0.245 0.000 0.312 142 T C -1.392 173.058 174.700 -0.416 0.000 0.986 142 T CA 0.219 62.128 62.100 -0.317 0.000 1.024 142 T CB 2.858 71.457 68.868 -0.449 0.000 1.030 142 T HN 0.606 8.763 8.240 -0.138 0.000 0.448 143 V N 6.938 126.652 119.914 -0.334 0.000 2.398 143 V HA 0.473 4.703 4.120 -0.153 -0.202 0.286 143 V C -0.910 175.021 176.094 -0.273 0.000 1.026 143 V CA -1.557 60.617 62.300 -0.209 0.000 0.868 143 V CB 1.037 32.845 31.823 -0.024 0.000 0.982 143 V HN 0.106 8.279 8.190 -0.258 -0.137 0.443 144 Y N 5.955 126.280 120.300 0.042 0.000 2.341 144 Y HA 0.166 4.748 4.550 0.052 0.000 0.337 144 Y C -0.809 175.126 175.900 0.058 0.000 1.014 144 Y CA -1.285 56.838 58.100 0.039 0.000 1.111 144 Y CB 2.315 40.781 38.460 0.010 0.000 1.194 144 Y HN 1.249 9.422 8.280 0.052 0.138 0.462 145 G N 1.612 110.550 108.800 0.230 0.000 2.370 145 G HA2 0.486 4.560 3.960 0.190 0.000 0.317 145 G HA3 0.486 4.539 3.960 0.156 0.000 0.317 145 G C -2.565 172.423 174.900 0.147 0.000 1.162 145 G CA -0.820 44.386 45.100 0.177 0.000 0.922 145 G HN 0.261 8.694 8.290 0.238 0.000 0.454 146 K N 3.525 123.998 120.400 0.123 0.000 2.579 146 K HA 0.348 4.712 4.320 0.074 0.000 0.284 146 K C -2.118 174.525 176.600 0.071 0.000 0.990 146 K CA -1.054 55.283 56.287 0.084 0.000 0.880 146 K CB 4.060 36.599 32.500 0.065 0.000 1.488 146 K HN -0.237 8.095 8.250 0.136 0.000 0.425 147 S N 2.131 117.862 115.700 0.051 0.000 2.448 147 S HA 0.302 4.940 4.470 0.055 -0.135 0.320 147 S C -0.188 174.435 174.600 0.038 0.000 1.071 147 S CA -0.988 57.239 58.200 0.045 0.000 1.113 147 S CB 0.411 63.630 63.200 0.032 0.000 0.972 147 S HN 0.233 8.569 8.310 0.043 0.000 0.465 148 I N 8.446 129.041 120.570 0.042 0.000 2.347 148 I HA 0.243 4.432 4.170 0.032 0.000 0.283 148 I C -1.656 174.480 176.117 0.032 0.000 1.058 148 I CA -0.900 60.422 61.300 0.036 0.000 1.202 148 I CB 0.812 38.836 38.000 0.039 0.000 1.386 148 I HN 0.595 8.836 8.210 0.051 0.000 0.475 149 D N 6.524 126.939 120.400 0.025 0.000 2.740 149 D HA -0.372 4.279 4.640 0.017 0.000 0.231 149 D C 0.371 176.685 176.300 0.023 0.000 1.194 149 D CA 0.400 54.412 54.000 0.021 0.000 0.673 149 D CB -2.170 38.641 40.800 0.018 0.000 0.995 149 D HN 0.745 9.129 8.370 0.022 0.000 0.411 150 G N -2.043 106.772 108.800 0.025 0.000 2.420 150 G HA2 -0.487 3.487 3.960 0.023 0.000 0.221 150 G HA3 -0.487 3.489 3.960 0.025 0.000 0.221 150 G C -0.488 174.434 174.900 0.037 0.000 1.117 150 G CA -0.072 45.044 45.100 0.027 0.000 0.657 150 G HN 0.216 8.520 8.290 0.024 0.000 0.512 151 Q N 3.354 123.181 119.800 0.044 0.000 2.293 151 Q HA 0.070 4.448 4.340 0.064 0.000 0.251 151 Q C -0.834 175.210 176.000 0.074 0.000 0.930 151 Q CA -0.152 55.687 55.803 0.060 0.000 0.893 151 Q CB 1.016 29.790 28.738 0.060 0.000 1.215 151 Q HN -0.411 7.802 8.270 0.039 0.081 0.425 152 Q N 2.953 122.813 119.800 0.100 0.000 2.261 152 Q HA 0.513 5.053 4.340 0.104 -0.137 0.252 152 Q C -0.161 175.938 176.000 0.164 0.000 0.915 152 Q CA -0.206 55.674 55.803 0.128 0.000 0.915 152 Q CB 1.658 30.486 28.738 0.150 0.000 1.204 152 Q HN 0.670 9.003 8.270 0.105 0.000 0.421 153 T N -1.138 113.511 114.554 0.159 0.000 2.933 153 T HA 0.998 5.700 4.350 0.197 -0.234 0.305 153 T C -1.333 173.479 174.700 0.188 0.000 1.092 153 T CA -1.797 60.400 62.100 0.163 0.000 1.008 153 T CB 3.255 72.178 68.868 0.091 0.000 1.102 153 T HN 0.490 8.814 8.240 0.140 0.000 0.469 154 I N 3.408 124.120 120.570 0.238 0.000 2.336 154 I HA 0.494 4.961 4.170 0.235 -0.156 0.292 154 I C -1.466 174.777 176.117 0.210 0.000 0.991 154 I CA -1.046 60.411 61.300 0.262 0.000 1.227 154 I CB 2.407 40.611 38.000 0.340 0.000 1.366 154 I HN 0.841 9.100 8.210 0.263 0.109 0.466 155 I N 7.599 128.259 120.570 0.150 0.000 2.420 155 I HA 0.748 5.178 4.170 0.038 -0.237 0.282 155 I C -1.592 174.601 176.117 0.127 0.000 1.019 155 I CA -1.682 59.660 61.300 0.071 0.000 1.130 155 I CB 2.135 40.051 38.000 -0.140 0.000 1.262 155 I HN 0.933 9.139 8.210 0.176 0.109 0.454 156 A N 7.976 130.889 122.820 0.156 0.000 2.276 156 A HA 0.612 5.106 4.320 0.044 -0.148 0.316 156 A C -1.462 176.217 177.584 0.158 0.000 1.229 156 A CA -1.798 50.322 52.037 0.138 0.000 0.851 156 A CB 2.173 21.294 19.000 0.202 0.000 1.165 156 A HN 0.747 9.000 8.150 0.173 0.000 0.513 157 C N 4.158 123.473 119.300 0.025 0.000 2.345 157 C HA 0.899 5.643 4.460 0.176 -0.178 0.323 157 C C -1.005 173.987 174.990 0.004 0.000 1.276 157 C CA -1.341 57.648 59.018 -0.048 0.000 1.543 157 C CB 2.164 29.577 27.740 -0.545 0.000 2.211 157 C HN 0.768 8.843 8.230 -0.072 0.112 0.493 158 I N 3.947 124.655 120.570 0.231 0.000 2.433 158 I HA 0.556 4.926 4.170 0.073 -0.156 0.292 158 I C -1.759 174.587 176.117 0.382 0.000 1.001 158 I CA -1.120 60.302 61.300 0.203 0.000 1.119 158 I CB 3.492 41.590 38.000 0.164 0.000 1.289 158 I HN 1.021 9.478 8.210 0.412 0.000 0.438 159 E N 6.990 127.352 120.200 0.270 0.000 2.293 159 E HA 0.890 5.777 4.350 0.527 -0.221 0.270 159 E C -2.120 174.655 176.600 0.293 0.000 0.879 159 E CA -2.233 54.405 56.400 0.396 0.000 0.756 159 E CB 4.815 34.759 29.700 0.408 0.000 1.208 159 E HN 0.600 9.040 8.360 0.132 0.000 0.428 160 S N 3.829 119.773 115.700 0.407 0.000 2.543 160 S HA 0.417 5.127 4.470 0.152 -0.149 0.271 160 S C -2.121 172.710 174.600 0.384 0.000 1.148 160 S CA -1.089 57.295 58.200 0.307 0.000 0.914 160 S CB 1.859 65.278 63.200 0.365 0.000 1.096 160 S HN 0.254 8.871 8.310 0.512 0.000 0.471 161 H N 2.803 121.925 119.070 0.086 0.000 3.017 161 H HA 0.621 5.396 4.556 0.203 -0.098 0.346 161 H C -2.286 172.995 175.328 -0.078 0.000 1.286 161 H CA -1.155 54.912 56.048 0.032 0.000 1.120 161 H CB 2.483 32.148 29.762 -0.161 0.000 1.860 161 H HN 0.123 8.331 8.280 -0.121 0.000 0.542 162 Q N -0.680 119.159 119.800 0.066 0.000 2.309 162 Q HA 0.173 4.410 4.340 -0.173 0.000 0.254 162 Q C -2.105 174.113 176.000 0.362 0.000 0.938 162 Q CA -0.871 54.981 55.803 0.081 0.000 0.789 162 Q CB 3.041 31.963 28.738 0.306 0.000 1.313 162 Q HN 0.230 8.727 8.270 0.377 0.000 0.438 163 F N 2.694 122.669 119.950 0.043 0.000 2.402 163 F HA 0.549 5.162 4.527 -0.067 -0.127 0.355 163 F C 0.390 175.983 175.800 -0.343 0.000 1.123 163 F CA -3.013 54.945 58.000 -0.070 0.000 1.021 163 F CB 0.842 39.895 39.000 0.088 0.000 1.160 163 F HN 0.368 8.661 8.300 -0.011 0.000 0.451 164 Q N 3.607 123.092 119.800 -0.525 0.000 3.075 164 Q HA 0.423 4.521 4.340 -0.403 0.000 0.318 164 Q C -1.295 174.324 176.000 -0.636 0.000 0.907 164 Q CA -2.167 53.206 55.803 -0.716 0.000 0.882 164 Q CB 1.130 29.113 28.738 -1.258 0.000 1.386 164 Q HN 0.519 8.519 8.270 -0.591 -0.085 0.408 165 P HA -0.159 4.125 4.420 -0.226 0.000 0.217 165 P C 1.419 178.387 177.300 -0.553 0.000 1.148 165 P CA 1.815 64.740 63.100 -0.291 0.000 0.828 165 P CB 0.154 31.792 31.700 -0.103 0.000 0.783 166 K N -2.429 117.687 120.400 -0.475 0.000 2.362 166 K HA -0.123 3.829 4.320 -0.612 0.000 0.200 166 K C 0.374 176.562 176.600 -0.688 0.000 1.046 166 K CA 1.851 57.819 56.287 -0.531 0.000 0.952 166 K CB -0.637 31.694 32.500 -0.283 0.000 0.753 166 K HN 0.201 8.212 8.250 -0.357 0.025 0.466 167 N N -2.268 116.080 118.700 -0.588 0.000 2.234 167 N HA 0.059 4.705 4.740 -0.156 0.000 0.227 167 N C -1.351 174.031 175.510 -0.213 0.000 1.151 167 N CA -0.409 52.474 53.050 -0.279 0.000 0.865 167 N CB 1.123 39.613 38.487 0.004 0.000 1.066 167 N HN -0.520 7.344 8.380 -0.591 0.161 0.515 168 F N -4.201 115.446 119.950 -0.505 0.000 3.027 168 F HA -0.372 3.198 4.527 -1.596 0.000 0.276 168 F C -1.847 173.315 175.800 -1.063 0.000 0.967 168 F CA 1.078 58.389 58.000 -1.149 0.000 0.929 168 F CB -2.952 35.376 39.000 -1.121 0.000 0.873 168 F HN -0.249 7.114 8.300 -1.207 0.213 0.787 169 W N -5.878 115.161 121.300 -0.436 0.000 3.275 169 W HA 0.897 5.779 4.660 0.014 -0.214 0.306 169 W C -2.485 174.145 176.519 0.185 0.000 1.259 169 W CA -1.333 55.989 57.345 -0.039 0.000 1.194 169 W CB 3.140 32.661 29.460 0.102 0.000 1.375 169 W HN -0.587 7.255 8.180 -0.563 0.000 0.564 170 N N -1.106 117.992 118.700 0.663 0.000 2.484 170 N HA 0.809 6.038 4.740 0.539 -0.165 0.269 170 N C -1.770 174.151 175.510 0.685 0.000 1.237 170 N CA -0.027 53.368 53.050 0.575 0.000 0.838 170 N CB 5.238 43.860 38.487 0.225 0.000 1.593 170 N HN 0.372 9.186 8.380 0.723 0.000 0.485 171 G N -1.975 107.263 108.800 0.731 0.000 2.704 171 G HA2 0.757 5.193 3.960 0.493 0.000 0.293 171 G HA3 0.757 5.041 3.960 0.539 0.000 0.293 171 G C -3.258 172.002 174.900 0.599 0.000 1.421 171 G CA -0.268 45.181 45.100 0.583 0.000 0.870 171 G HN 0.314 9.131 8.290 0.878 0.000 0.492 172 R N 0.403 121.189 120.500 0.477 0.000 2.594 172 R HA 0.884 5.723 4.340 0.507 -0.195 0.265 172 R C -3.034 173.521 176.300 0.426 0.000 1.070 172 R CA -0.770 55.610 56.100 0.467 0.000 0.909 172 R CB 4.237 34.794 30.300 0.428 0.000 1.243 172 R HN 0.578 9.093 8.270 0.409 0.000 0.455 173 W N 5.513 126.978 121.300 0.274 0.000 2.606 173 W HA 0.711 5.669 4.660 0.255 -0.146 0.332 173 W C -2.310 174.350 176.519 0.235 0.000 1.052 173 W CA -2.094 55.415 57.345 0.274 0.000 1.223 173 W CB 4.024 33.701 29.460 0.362 0.000 1.383 173 W HN 1.143 9.554 8.180 0.585 0.120 0.524 174 R N 6.297 126.598 120.500 -0.332 0.000 2.533 174 R HA 0.779 5.479 4.340 0.256 -0.206 0.288 174 R C -2.013 174.087 176.300 -0.333 0.000 1.039 174 R CA -0.694 55.315 56.100 -0.153 0.000 0.909 174 R CB 4.579 34.676 30.300 -0.339 0.000 1.195 174 R HN 0.798 8.596 8.270 -0.786 0.000 0.438 175 S N 2.435 118.243 115.700 0.179 0.000 2.547 175 S HA 0.719 5.333 4.470 -0.063 -0.181 0.281 175 S C -2.399 172.446 174.600 0.407 0.000 1.118 175 S CA -1.485 56.857 58.200 0.237 0.000 0.947 175 S CB 2.564 66.173 63.200 0.682 0.000 1.053 175 S HN 0.599 9.198 8.310 0.483 0.000 0.482 176 E N 8.452 128.746 120.200 0.158 0.000 2.241 176 E HA 0.685 5.427 4.350 0.367 -0.171 0.263 176 E C -2.039 174.503 176.600 -0.097 0.000 0.882 176 E CA -1.728 54.796 56.400 0.207 0.000 0.769 176 E CB 3.941 33.806 29.700 0.274 0.000 1.185 176 E HN 0.115 8.417 8.360 -0.096 0.000 0.415 177 W N 5.830 127.084 121.300 -0.076 0.000 2.471 177 W HA 0.364 4.939 4.660 -0.353 -0.127 0.318 177 W C -1.034 175.200 176.519 -0.475 0.000 1.034 177 W CA -1.700 55.434 57.345 -0.351 0.000 1.224 177 W CB 2.354 31.541 29.460 -0.455 0.000 1.335 177 W HN 0.921 9.300 8.180 0.332 0.000 0.452 178 K N 3.057 123.253 120.400 -0.339 0.000 2.263 178 K HA 0.451 4.784 4.320 -0.174 -0.117 0.272 178 K C -1.137 175.226 176.600 -0.395 0.000 1.033 178 K CA -0.542 55.583 56.287 -0.269 0.000 0.884 178 K CB 1.490 33.895 32.500 -0.157 0.000 1.107 178 K HN 1.145 9.068 8.250 -0.366 0.107 0.460 179 F N 5.826 125.736 119.950 -0.067 0.000 2.332 179 F HA 0.383 4.797 4.527 -0.190 0.000 0.368 179 F C -0.440 175.325 175.800 -0.059 0.000 1.110 179 F CA -2.257 55.640 58.000 -0.172 0.000 1.087 179 F CB 1.275 40.017 39.000 -0.429 0.000 1.235 179 F HN 1.030 9.223 8.300 0.001 0.108 0.470 180 T N 3.384 118.017 114.554 0.133 0.000 2.738 180 T HA 0.412 4.993 4.350 0.133 -0.152 0.298 180 T C -0.447 174.339 174.700 0.143 0.000 0.962 180 T CA -1.547 60.625 62.100 0.120 0.000 0.972 180 T CB 0.163 69.075 68.868 0.072 0.000 0.928 180 T HN 0.124 8.424 8.240 0.100 0.000 0.474 181 I N 7.272 127.949 120.570 0.178 0.000 2.371 181 I HA 0.015 4.291 4.170 0.177 0.000 0.290 181 I C -0.763 175.448 176.117 0.158 0.000 1.028 181 I CA 0.690 62.108 61.300 0.195 0.000 1.345 181 I CB 0.366 38.547 38.000 0.302 0.000 1.407 181 I HN 0.004 8.330 8.210 0.194 0.000 0.501 182 T N 4.208 118.843 114.554 0.134 0.000 3.446 182 T HA 0.251 4.665 4.350 0.106 0.000 0.289 182 T C -2.257 172.501 174.700 0.098 0.000 1.203 182 T CA -3.488 58.675 62.100 0.105 0.000 1.645 182 T CB 0.337 69.254 68.868 0.082 0.000 0.841 182 T HN 0.006 8.327 8.240 0.135 0.000 0.617 183 P HA -0.002 4.472 4.420 0.090 0.000 0.266 183 P C -0.709 176.632 177.300 0.069 0.000 1.180 183 P CA -0.742 62.415 63.100 0.095 0.000 0.765 183 P CB -0.336 31.431 31.700 0.111 0.000 0.806 184 P HA -0.096 4.359 4.420 0.058 0.000 0.215 184 P C -0.650 176.681 177.300 0.052 0.000 1.157 184 P CA 1.337 64.467 63.100 0.052 0.000 0.859 184 P CB 0.887 32.610 31.700 0.037 0.000 0.786 185 T N 0.944 115.529 114.554 0.052 0.000 2.837 185 T HA 0.288 4.851 4.350 0.058 -0.178 0.285 185 T C -1.399 173.347 174.700 0.076 0.000 0.984 185 T CA -0.210 61.925 62.100 0.059 0.000 1.049 185 T CB 1.382 70.280 68.868 0.050 0.000 0.947 185 T HN -0.517 7.753 8.240 0.049 0.000 0.472 186 A N 5.739 128.617 122.820 0.097 0.000 2.282 186 A HA 0.848 5.226 4.320 0.097 0.000 0.324 186 A C -1.716 175.931 177.584 0.105 0.000 1.119 186 A CA -2.851 49.252 52.037 0.109 0.000 0.880 186 A CB 3.066 22.150 19.000 0.141 0.000 1.294 186 A HN 1.271 9.385 8.150 0.104 0.098 0.493 187 Q N -2.559 117.299 119.800 0.097 0.000 2.309 187 Q HA 0.811 5.349 4.340 0.084 -0.148 0.264 187 Q C -0.766 175.285 176.000 0.085 0.000 1.008 187 Q CA -1.961 53.890 55.803 0.081 0.000 0.853 187 Q CB 2.697 31.466 28.738 0.052 0.000 1.314 187 Q HN -0.231 8.097 8.270 0.097 0.000 0.448 188 V N 1.211 121.172 119.914 0.078 0.000 2.667 188 V HA 0.630 4.875 4.120 -0.020 -0.137 0.308 188 V C -1.082 174.976 176.094 -0.059 0.000 1.048 188 V CA -2.221 60.099 62.300 0.034 0.000 0.928 188 V CB 2.317 34.246 31.823 0.177 0.000 1.004 188 V HN 1.247 9.348 8.190 0.080 0.137 0.444 189 A N 4.564 127.276 122.820 -0.180 0.000 2.429 189 A HA 0.806 5.180 4.320 -0.198 -0.173 0.289 189 A C -2.760 174.591 177.584 -0.387 0.000 1.043 189 A CA -0.864 51.039 52.037 -0.223 0.000 0.722 189 A CB 3.509 22.417 19.000 -0.154 0.000 1.243 189 A HN 0.405 8.394 8.150 -0.269 0.000 0.415 190 A N 3.195 125.693 122.820 -0.536 0.000 2.583 190 A HA 1.197 5.281 4.320 -0.639 -0.147 0.289 190 A C -2.838 174.373 177.584 -0.621 0.000 1.151 190 A CA -1.714 49.830 52.037 -0.821 0.000 0.695 190 A CB 4.544 22.383 19.000 -1.934 0.000 1.290 190 A HN 1.097 8.982 8.150 -0.443 0.000 0.419 191 V N -0.399 119.156 119.914 -0.598 0.000 2.697 191 V HA 0.827 4.955 4.120 -0.402 -0.249 0.300 191 V C -2.561 173.273 176.094 -0.433 0.000 1.115 191 V CA -1.148 60.895 62.300 -0.429 0.000 0.912 191 V CB 4.110 35.742 31.823 -0.318 0.000 1.024 191 V HN -0.002 7.781 8.190 -0.677 0.000 0.431 192 L N 9.677 130.612 121.223 -0.481 0.000 2.309 192 L HA 0.566 4.728 4.340 -0.468 -0.104 0.282 192 L C -0.994 175.555 176.870 -0.536 0.000 1.036 192 L CA -0.784 53.716 54.840 -0.568 0.000 0.806 192 L CB 1.695 43.305 42.059 -0.748 0.000 1.220 192 L HN 1.104 8.927 8.230 -0.489 0.114 0.429 193 K N 1.746 121.793 120.400 -0.587 0.000 2.464 193 K HA 0.737 5.145 4.320 -0.160 -0.184 0.253 193 K C -1.429 174.972 176.600 -0.332 0.000 0.933 193 K CA -0.940 55.143 56.287 -0.341 0.000 0.801 193 K CB 4.204 36.533 32.500 -0.286 0.000 1.271 193 K HN 1.068 8.732 8.250 -0.824 0.092 0.430 194 I N 1.438 121.978 120.570 -0.051 0.000 2.619 194 I HA 0.554 4.936 4.170 0.103 -0.151 0.292 194 I C -2.368 173.824 176.117 0.125 0.000 1.100 194 I CA -1.090 60.264 61.300 0.090 0.000 1.043 194 I CB 4.525 42.646 38.000 0.202 0.000 1.239 194 I HN 0.787 9.009 8.210 0.020 0.000 0.420 195 Q N 6.122 126.027 119.800 0.174 0.000 2.271 195 Q HA 1.022 5.747 4.340 0.160 -0.289 0.268 195 Q C -2.168 173.985 176.000 0.256 0.000 1.021 195 Q CA -1.417 54.493 55.803 0.179 0.000 0.802 195 Q CB 4.379 33.196 28.738 0.132 0.000 1.282 195 Q HN 0.403 8.803 8.270 0.217 0.000 0.431 196 V N 5.750 125.823 119.914 0.265 0.000 2.735 196 V HA 0.646 5.150 4.120 0.388 -0.151 0.310 196 V C -2.089 174.244 176.094 0.398 0.000 1.061 196 V CA -1.436 61.065 62.300 0.335 0.000 0.913 196 V CB 3.801 35.792 31.823 0.279 0.000 1.005 196 V HN 0.658 8.985 8.190 0.227 0.000 0.428 197 H N 7.576 126.856 119.070 0.350 0.000 2.689 197 H HA 0.651 5.593 4.556 0.314 -0.197 0.346 197 H C -2.259 173.387 175.328 0.531 0.000 1.037 197 H CA -2.692 53.581 56.048 0.375 0.000 1.234 197 H CB 4.014 33.960 29.762 0.306 0.000 1.572 197 H HN 0.946 9.561 8.280 0.558 0.000 0.524 198 Y N 8.694 129.126 120.300 0.219 0.000 2.341 198 Y HA 0.516 5.311 4.550 0.160 -0.149 0.338 198 Y C -2.504 173.408 175.900 0.020 0.000 0.965 198 Y CA -2.464 55.702 58.100 0.110 0.000 1.108 198 Y CB 3.089 41.605 38.460 0.092 0.000 1.180 198 Y HN 0.679 9.263 8.280 0.507 0.000 0.458 199 Y N 1.486 121.370 120.300 -0.693 0.000 2.712 199 Y HA 0.556 5.116 4.550 -0.268 -0.171 0.250 199 Y C -2.152 173.466 175.900 -0.470 0.000 1.101 199 Y CA -2.727 55.099 58.100 -0.457 0.000 1.118 199 Y CB 0.552 38.772 38.460 -0.401 0.000 1.203 199 Y HN 0.929 8.414 8.280 -1.140 0.111 0.587 200 E N 2.318 122.005 120.200 -0.854 0.000 2.105 200 E HA -0.090 3.504 4.350 -1.259 0.000 0.285 200 E C -0.375 176.018 176.600 -0.344 0.000 1.055 200 E CA -0.398 55.504 56.400 -0.831 0.000 0.843 200 E CB 0.135 29.423 29.700 -0.688 0.000 1.067 200 E HN -0.222 7.246 8.360 -1.487 0.000 0.398 201 D N 3.586 123.806 120.400 -0.300 0.000 2.708 201 D HA -0.288 4.284 4.640 -0.113 0.000 0.236 201 D C -0.936 175.355 176.300 -0.016 0.000 1.146 201 D CA 1.045 54.973 54.000 -0.121 0.000 0.662 201 D CB -1.347 39.398 40.800 -0.092 0.000 1.059 201 D HN 0.373 8.488 8.370 -0.424 0.000 0.428 202 G N -2.828 105.976 108.800 0.008 0.000 2.317 202 G HA2 -0.176 3.826 3.960 0.071 0.000 0.293 202 G HA3 -0.176 3.859 3.960 0.124 0.000 0.293 202 G C -3.036 171.947 174.900 0.138 0.000 1.287 202 G CA -0.174 44.977 45.100 0.086 0.000 0.850 202 G HN -0.643 7.620 8.290 -0.031 0.008 0.515 203 N N 1.444 120.256 118.700 0.187 0.000 2.664 203 N HA 0.238 5.313 4.740 0.356 -0.121 0.268 203 N C -1.501 174.172 175.510 0.272 0.000 1.222 203 N CA 0.136 53.350 53.050 0.274 0.000 0.805 203 N CB 1.297 39.915 38.487 0.218 0.000 1.399 203 N HN 0.054 8.532 8.380 0.163 0.000 0.547 204 V N 5.763 125.889 119.914 0.354 0.000 2.495 204 V HA 0.285 4.530 4.120 0.209 0.000 0.298 204 V C -1.860 174.444 176.094 0.349 0.000 1.031 204 V CA -0.930 61.544 62.300 0.289 0.000 0.871 204 V CB 2.892 34.867 31.823 0.253 0.000 0.988 204 V HN 0.783 9.221 8.190 0.414 0.000 0.432 205 Q N 3.639 123.580 119.800 0.235 0.000 2.315 205 Q HA 0.745 5.463 4.340 0.293 -0.202 0.273 205 Q C -1.380 174.708 176.000 0.148 0.000 1.053 205 Q CA -1.529 54.408 55.803 0.224 0.000 0.817 205 Q CB 4.297 33.134 28.738 0.165 0.000 1.326 205 Q HN 0.214 8.587 8.270 0.171 0.000 0.423 206 L N 4.289 125.610 121.223 0.164 0.000 2.272 206 L HA 0.346 4.731 4.340 0.075 0.000 0.289 206 L C -2.339 174.603 176.870 0.119 0.000 1.032 206 L CA -0.887 54.027 54.840 0.123 0.000 0.810 206 L CB 1.733 43.891 42.059 0.166 0.000 1.205 206 L HN 0.528 8.885 8.230 0.211 0.000 0.422 207 V N 8.206 128.170 119.914 0.083 0.000 2.443 207 V HA 0.525 4.841 4.120 0.094 -0.140 0.293 207 V C -0.929 175.206 176.094 0.068 0.000 1.021 207 V CA -0.626 61.723 62.300 0.081 0.000 0.848 207 V CB 1.941 33.807 31.823 0.071 0.000 0.998 207 V HN 0.200 8.425 8.190 0.059 0.000 0.424 208 S N 7.684 123.438 115.700 0.090 0.000 2.556 208 S HA 0.437 4.911 4.470 0.008 0.000 0.271 208 S C -2.547 172.132 174.600 0.131 0.000 1.135 208 S CA -0.633 57.617 58.200 0.084 0.000 0.858 208 S CB 1.957 65.232 63.200 0.125 0.000 1.114 208 S HN 0.506 8.877 8.310 0.102 0.000 0.468 209 H N -0.098 118.999 119.070 0.046 0.000 3.094 209 H HA 0.931 5.589 4.556 -0.194 -0.219 0.346 209 H C -2.102 173.110 175.328 -0.195 0.000 1.238 209 H CA -0.751 55.223 56.048 -0.122 0.000 1.209 209 H CB 3.283 32.954 29.762 -0.151 0.000 1.911 209 H HN 0.119 8.271 8.280 -0.214 0.000 0.540 210 K N 1.338 121.566 120.400 -0.286 0.000 2.443 210 K HA 0.291 4.501 4.320 -0.183 0.000 0.252 210 K C -1.735 174.734 176.600 -0.218 0.000 0.933 210 K CA -1.260 54.846 56.287 -0.301 0.000 0.792 210 K CB 3.123 35.282 32.500 -0.569 0.000 1.185 210 K HN 0.650 8.545 8.250 -0.403 0.114 0.425 211 D N 6.963 127.299 120.400 -0.107 0.000 2.233 211 D HA 0.577 5.252 4.640 -0.232 -0.174 0.240 211 D C -0.416 175.783 176.300 -0.168 0.000 1.074 211 D CA -0.553 53.356 54.000 -0.151 0.000 0.838 211 D CB 1.103 41.857 40.800 -0.076 0.000 1.124 211 D HN 0.195 8.532 8.370 -0.055 0.000 0.475 212 I N -1.326 119.095 120.570 -0.248 0.000 2.647 212 I HA 0.475 4.578 4.170 -0.111 0.000 0.295 212 I C -2.050 173.960 176.117 -0.178 0.000 1.078 212 I CA -1.631 59.556 61.300 -0.189 0.000 1.048 212 I CB 3.544 41.433 38.000 -0.185 0.000 1.239 212 I HN 0.433 8.325 8.210 -0.346 0.111 0.421 213 Q N 4.944 124.697 119.800 -0.079 0.000 2.292 213 Q HA 0.405 4.914 4.340 -0.071 -0.210 0.270 213 Q C -1.931 174.080 176.000 0.018 0.000 1.024 213 Q CA -1.057 54.719 55.803 -0.045 0.000 0.768 213 Q CB 2.802 31.516 28.738 -0.039 0.000 1.250 213 Q HN 0.306 8.547 8.270 -0.048 0.000 0.447 214 D N 5.306 125.740 120.400 0.056 0.000 2.547 214 D HA 0.318 5.005 4.640 0.077 0.000 0.231 214 D C -1.987 174.369 176.300 0.095 0.000 1.099 214 D CA -1.539 52.519 54.000 0.096 0.000 0.901 214 D CB 4.077 44.975 40.800 0.164 0.000 1.478 214 D HN 0.410 8.673 8.370 0.046 0.135 0.471 215 S N 2.327 118.080 115.700 0.089 0.000 2.498 215 S HA 0.470 5.244 4.470 0.086 -0.253 0.324 215 S C -1.037 173.620 174.600 0.095 0.000 1.071 215 S CA -1.259 56.991 58.200 0.083 0.000 1.113 215 S CB 0.728 63.964 63.200 0.061 0.000 0.976 215 S HN 0.205 8.565 8.310 0.084 0.000 0.462 216 V N 4.755 124.740 119.914 0.117 0.000 2.581 216 V HA 0.347 4.528 4.120 0.101 0.000 0.303 216 V C -2.046 174.109 176.094 0.101 0.000 1.041 216 V CA -3.039 59.337 62.300 0.127 0.000 0.907 216 V CB 3.394 35.340 31.823 0.206 0.000 0.994 216 V HN 1.015 9.170 8.190 0.123 0.109 0.442 217 Q N 6.513 126.349 119.800 0.060 0.000 2.293 217 Q HA 0.029 4.389 4.340 0.035 0.000 0.263 217 Q C -0.813 175.180 176.000 -0.011 0.000 1.002 217 Q CA -0.674 55.144 55.803 0.025 0.000 0.910 217 Q CB 0.103 28.844 28.738 0.005 0.000 1.185 217 Q HN 0.469 8.772 8.270 0.054 0.000 0.401 218 V N 5.480 125.388 119.914 -0.010 0.000 2.364 218 V HA 0.123 4.136 4.120 -0.178 0.000 0.272 218 V C -0.917 175.125 176.094 -0.087 0.000 1.036 218 V CA -0.271 61.982 62.300 -0.079 0.000 0.880 218 V CB -0.031 31.783 31.823 -0.015 0.000 0.991 218 V HN 0.191 8.280 8.190 0.019 0.113 0.460 219 S N 7.988 123.585 115.700 -0.171 0.000 3.641 219 S HA 0.119 4.562 4.470 -0.045 0.000 0.180 219 S C 0.071 174.619 174.600 -0.088 0.000 0.854 219 S CA -0.927 57.207 58.200 -0.110 0.000 1.343 219 S CB 0.481 63.606 63.200 -0.124 0.000 0.685 219 S HN 0.234 8.378 8.310 -0.277 0.000 0.724 220 S N -0.103 115.532 115.700 -0.108 0.000 2.393 220 S HA 0.088 4.642 4.470 0.139 0.000 0.255 220 S C 0.503 175.049 174.600 -0.091 0.000 1.210 220 S CA -0.706 57.491 58.200 -0.004 0.000 1.013 220 S CB 0.864 64.058 63.200 -0.011 0.000 1.055 220 S HN -0.086 8.140 8.310 -0.140 0.000 0.483 221 D N 0.648 121.130 120.400 0.137 0.000 2.414 221 D HA -0.056 4.582 4.640 -0.004 0.000 0.237 221 D C 1.263 177.528 176.300 -0.060 0.000 0.975 221 D CA 1.914 56.062 54.000 0.247 0.000 0.917 221 D CB -0.004 41.108 40.800 0.519 0.000 1.061 221 D HN 0.340 8.793 8.370 0.139 0.000 0.480 222 V N -0.178 119.713 119.914 -0.038 0.000 3.129 222 V HA -0.300 3.771 4.120 -0.083 0.000 0.259 222 V C 1.434 177.426 176.094 -0.170 0.000 1.116 222 V CA 2.276 64.525 62.300 -0.085 0.000 1.127 222 V CB -0.155 31.645 31.823 -0.039 0.000 0.742 222 V HN -0.411 7.787 8.190 0.014 0.000 0.474 223 Q N -1.384 118.295 119.800 -0.202 0.000 2.061 223 Q HA -0.191 4.028 4.340 -0.201 0.000 0.195 223 Q C 1.785 177.539 176.000 -0.410 0.000 0.967 223 Q CA 3.715 59.372 55.803 -0.243 0.000 0.829 223 Q CB 0.024 28.653 28.738 -0.182 0.000 0.900 223 Q HN 0.256 8.457 8.270 -0.164 -0.030 0.450 224 T N -3.954 110.242 114.554 -0.596 0.000 2.833 224 T HA -0.284 3.571 4.350 -0.826 0.000 0.269 224 T C 1.414 175.279 174.700 -1.391 0.000 1.054 224 T CA 3.095 64.593 62.100 -1.003 0.000 1.135 224 T CB -0.260 67.887 68.868 -1.203 0.000 0.869 224 T HN -0.599 7.320 8.240 -0.535 0.000 0.466 225 A N 1.976 124.250 122.820 -0.909 0.000 1.858 225 A HA -0.270 3.605 4.320 -0.741 0.000 0.216 225 A C 1.448 178.763 177.584 -0.449 0.000 1.190 225 A CA 2.963 54.618 52.037 -0.638 0.000 0.617 225 A CB -0.440 18.373 19.000 -0.311 0.000 0.827 225 A HN -0.523 7.193 8.150 -0.689 0.021 0.443 226 K N -2.717 117.481 120.400 -0.337 0.000 2.280 226 K HA -0.327 3.891 4.320 -0.169 0.000 0.202 226 K C 1.996 178.455 176.600 -0.235 0.000 1.047 226 K CA 2.819 58.973 56.287 -0.222 0.000 0.942 226 K CB -0.729 31.674 32.500 -0.161 0.000 0.739 226 K HN -0.617 7.435 8.250 -0.330 0.000 0.457 227 E N 0.101 120.090 120.200 -0.352 0.000 2.107 227 E HA -0.251 3.996 4.350 -0.172 0.000 0.191 227 E C 2.090 178.612 176.600 -0.130 0.000 0.982 227 E CA 2.659 58.902 56.400 -0.262 0.000 0.809 227 E CB -0.069 29.422 29.700 -0.349 0.000 0.756 227 E HN -0.587 7.323 8.360 -0.495 0.153 0.459 228 F N -0.509 119.210 119.950 -0.385 0.000 2.060 228 F HA -0.202 4.058 4.527 -0.443 0.000 0.295 228 F C 2.366 177.928 175.800 -0.396 0.000 1.120 228 F CA 1.566 59.267 58.000 -0.500 0.000 1.205 228 F CB -0.701 37.775 39.000 -0.875 0.000 0.986 228 F HN -0.238 7.601 8.300 -0.574 0.116 0.470 229 I N -2.200 118.279 120.570 -0.152 0.000 2.479 229 I HA -0.506 3.421 4.170 -0.405 0.000 0.258 229 I C 1.945 177.859 176.117 -0.338 0.000 1.165 229 I CA 3.411 64.539 61.300 -0.287 0.000 1.422 229 I CB -0.722 37.173 38.000 -0.175 0.000 1.087 229 I HN 0.255 8.389 8.210 -0.126 0.000 0.441 230 K N -0.272 120.005 120.400 -0.204 0.000 2.076 230 K HA -0.147 4.088 4.320 -0.141 0.000 0.204 230 K C 2.128 178.638 176.600 -0.149 0.000 1.051 230 K CA 2.228 58.426 56.287 -0.148 0.000 0.949 230 K CB -0.705 31.741 32.500 -0.090 0.000 0.726 230 K HN -0.633 7.366 8.250 -0.164 0.153 0.443 231 I N 0.157 120.645 120.570 -0.137 0.000 2.127 231 I HA -0.531 3.632 4.170 -0.012 0.000 0.241 231 I C 2.132 178.099 176.117 -0.251 0.000 1.075 231 I CA 4.120 65.359 61.300 -0.101 0.000 1.334 231 I CB -0.200 37.786 38.000 -0.024 0.000 1.040 231 I HN -0.566 7.479 8.210 -0.110 0.098 0.405 232 I N -0.955 119.242 120.570 -0.621 0.000 2.118 232 I HA -0.694 2.804 4.170 -1.120 0.000 0.241 232 I C 1.735 177.652 176.117 -0.332 0.000 1.070 232 I CA 4.718 65.505 61.300 -0.856 0.000 1.327 232 I CB -0.570 36.746 38.000 -1.140 0.000 1.034 232 I HN 0.204 8.065 8.210 -0.583 0.000 0.405 233 E N 0.031 119.941 120.200 -0.483 0.000 2.070 233 E HA -0.473 3.852 4.350 -0.042 0.000 0.197 233 E C 2.700 179.300 176.600 0.000 0.000 1.004 233 E CA 3.264 59.540 56.400 -0.208 0.000 0.805 233 E CB -0.284 29.328 29.700 -0.147 0.000 0.744 233 E HN -0.336 7.647 8.360 -0.628 0.000 0.451 234 N N -1.066 117.630 118.700 -0.006 0.000 2.188 234 N HA -0.256 4.518 4.740 0.057 0.000 0.184 234 N C 2.279 177.870 175.510 0.136 0.000 1.018 234 N CA 2.704 55.789 53.050 0.059 0.000 0.858 234 N CB 0.155 38.670 38.487 0.047 0.000 0.989 234 N HN -0.325 8.015 8.380 -0.067 0.000 0.426 235 A N 0.611 123.550 122.820 0.199 0.000 1.897 235 A HA -0.186 4.290 4.320 0.260 0.000 0.215 235 A C 1.974 179.791 177.584 0.389 0.000 1.181 235 A CA 3.135 55.366 52.037 0.324 0.000 0.620 235 A CB -0.598 18.729 19.000 0.544 0.000 0.821 235 A HN 0.141 8.297 8.150 0.143 0.080 0.443 236 E N -1.953 118.511 120.200 0.441 0.000 2.152 236 E HA -0.361 4.415 4.350 0.710 0.000 0.192 236 E C 2.613 179.428 176.600 0.359 0.000 0.983 236 E CA 3.078 59.808 56.400 0.550 0.000 0.818 236 E CB -0.219 29.865 29.700 0.640 0.000 0.758 236 E HN 0.441 9.028 8.360 0.378 0.000 0.467 237 N N -0.345 118.472 118.700 0.195 0.000 2.216 237 N HA -0.198 4.560 4.740 0.030 0.000 0.183 237 N C 1.989 177.575 175.510 0.127 0.000 1.017 237 N CA 3.040 56.142 53.050 0.088 0.000 0.861 237 N CB -0.235 38.269 38.487 0.029 0.000 0.986 237 N HN -0.168 8.323 8.380 0.185 0.000 0.428 238 E N 1.560 121.864 120.200 0.174 0.000 2.106 238 E HA -0.321 4.100 4.350 0.118 0.000 0.192 238 E C 2.006 178.740 176.600 0.223 0.000 0.984 238 E CA 3.152 59.652 56.400 0.168 0.000 0.806 238 E CB -0.015 29.785 29.700 0.167 0.000 0.750 238 E HN -0.432 7.956 8.360 0.191 0.086 0.458 239 Y N 0.234 120.633 120.300 0.164 0.000 2.133 239 Y HA -0.418 4.209 4.550 0.129 0.000 0.287 239 Y C 1.783 177.793 175.900 0.184 0.000 1.134 239 Y CA 2.752 60.959 58.100 0.178 0.000 1.133 239 Y CB -0.025 38.586 38.460 0.251 0.000 0.987 239 Y HN -0.190 8.267 8.280 0.429 0.080 0.502 240 Q N -2.028 117.828 119.800 0.094 0.000 2.096 240 Q HA -0.414 3.826 4.340 -0.168 0.000 0.204 240 Q C 2.334 178.310 176.000 -0.040 0.000 0.982 240 Q CA 3.598 59.377 55.803 -0.040 0.000 0.850 240 Q CB -0.173 28.571 28.738 0.011 0.000 0.901 240 Q HN 0.030 8.482 8.270 0.303 0.000 0.422 241 T N 2.492 117.055 114.554 0.015 0.000 2.684 241 T HA -0.360 3.991 4.350 0.001 0.000 0.267 241 T C 1.896 176.605 174.700 0.016 0.000 1.036 241 T CA 4.586 66.696 62.100 0.016 0.000 1.148 241 T CB -0.418 68.472 68.868 0.037 0.000 0.863 241 T HN -0.016 8.145 8.240 0.057 0.113 0.436 242 A N 1.736 124.572 122.820 0.027 0.000 2.019 242 A HA -0.138 4.397 4.320 0.034 -0.195 0.219 242 A C 1.899 179.483 177.584 0.000 0.000 1.164 242 A CA 2.646 54.700 52.037 0.028 0.000 0.644 242 A CB -0.776 18.264 19.000 0.067 0.000 0.805 242 A HN -0.122 8.058 8.150 0.051 0.000 0.449 243 I N -1.519 119.021 120.570 -0.051 0.000 2.286 243 I HA -0.323 3.839 4.170 -0.014 0.000 0.245 243 I C 2.002 178.209 176.117 0.149 0.000 1.104 243 I CA 1.485 62.778 61.300 -0.011 0.000 1.397 243 I CB -1.344 36.587 38.000 -0.115 0.000 1.072 243 I HN -0.295 7.719 8.210 -0.094 0.140 0.417 244 S N 0.628 116.374 115.700 0.077 0.000 2.402 244 S HA -0.319 4.210 4.470 0.098 0.000 0.229 244 S C 2.559 177.217 174.600 0.097 0.000 1.021 244 S CA 3.898 62.142 58.200 0.074 0.000 0.974 244 S CB -0.795 62.395 63.200 -0.017 0.000 0.800 244 S HN -0.054 8.265 8.310 0.015 0.000 0.484 245 E N 2.562 122.799 120.200 0.061 0.000 2.047 245 E HA -0.331 4.044 4.350 0.041 0.000 0.191 245 E C 2.356 178.988 176.600 0.052 0.000 0.987 245 E CA 2.964 59.392 56.400 0.047 0.000 0.799 245 E CB -0.329 29.389 29.700 0.031 0.000 0.752 245 E HN -0.419 7.952 8.360 0.045 0.015 0.449 246 N N -0.350 118.375 118.700 0.041 0.000 2.104 246 N HA -0.283 4.450 4.740 -0.012 0.000 0.190 246 N C 2.041 177.538 175.510 -0.022 0.000 1.024 246 N CA 3.024 56.068 53.050 -0.010 0.000 0.853 246 N CB -0.292 38.162 38.487 -0.056 0.000 1.008 246 N HN -0.227 8.180 8.380 0.044 0.000 0.424 247 Y N -0.065 120.212 120.300 -0.038 0.000 2.165 247 Y HA -0.328 4.192 4.550 -0.050 0.000 0.286 247 Y C 2.321 178.196 175.900 -0.041 0.000 1.155 247 Y CA 4.085 62.157 58.100 -0.048 0.000 1.164 247 Y CB -0.232 38.192 38.460 -0.060 0.000 0.978 247 Y HN 0.071 8.483 8.280 0.226 0.003 0.513 248 Q N -0.926 118.953 119.800 0.131 0.000 2.050 248 Q HA -0.311 4.068 4.340 0.065 0.000 0.202 248 Q C 2.634 178.661 176.000 0.045 0.000 0.980 248 Q CA 2.726 58.570 55.803 0.068 0.000 0.840 248 Q CB -0.544 28.221 28.738 0.046 0.000 0.898 248 Q HN -0.408 7.844 8.270 0.141 0.103 0.424 249 T N 2.736 117.309 114.554 0.033 0.000 2.737 249 T HA -0.282 4.302 4.350 0.028 -0.217 0.265 249 T C 2.071 176.786 174.700 0.026 0.000 1.038 249 T CA 4.603 66.718 62.100 0.024 0.000 1.144 249 T CB -0.129 68.747 68.868 0.013 0.000 0.866 249 T HN -0.105 8.155 8.240 0.033 0.000 0.434 250 M N 0.674 120.276 119.600 0.004 0.000 2.106 250 M HA -0.392 4.100 4.480 0.020 0.000 0.259 250 M C 2.347 178.679 176.300 0.053 0.000 1.068 250 M CA 4.320 59.621 55.300 0.003 0.000 1.100 250 M CB -0.028 32.523 32.600 -0.082 0.000 1.351 250 M HN 0.281 8.562 8.290 -0.014 0.000 0.404 251 S N -0.668 115.052 115.700 0.033 0.000 2.436 251 S HA -0.165 4.325 4.470 0.032 0.000 0.228 251 S C 1.210 175.874 174.600 0.107 0.000 1.014 251 S CA 3.185 61.411 58.200 0.044 0.000 0.950 251 S CB -0.275 62.927 63.200 0.003 0.000 0.784 251 S HN -0.194 8.127 8.310 0.026 0.005 0.504 252 D N -2.098 118.349 120.400 0.078 0.000 2.407 252 D HA 0.215 4.907 4.640 0.087 0.000 0.208 252 D C 1.034 177.372 176.300 0.064 0.000 1.083 252 D CA 0.784 54.827 54.000 0.071 0.000 0.844 252 D CB 1.413 42.240 40.800 0.045 0.000 0.967 252 D HN -0.309 8.006 8.370 0.060 0.092 0.506 253 T N 0.976 115.570 114.554 0.067 0.000 3.388 253 T HA 0.224 4.597 4.350 0.037 0.000 0.254 253 T C 1.436 176.168 174.700 0.053 0.000 1.002 253 T CA 1.945 64.073 62.100 0.047 0.000 1.164 253 T CB 2.162 71.048 68.868 0.031 0.000 1.184 253 T HN 0.061 8.347 8.240 0.076 0.000 0.399 254 T N 5.883 120.477 114.554 0.066 0.000 2.674 254 T HA -0.392 3.982 4.350 0.039 0.000 0.265 254 T C 1.631 176.397 174.700 0.111 0.000 1.039 254 T CA 4.674 66.815 62.100 0.068 0.000 1.150 254 T CB 0.112 69.016 68.868 0.060 0.000 0.864 254 T HN -0.567 7.709 8.240 0.061 0.000 0.427 255 F N 1.693 121.635 119.950 -0.013 0.000 2.126 255 F HA -0.437 4.084 4.527 -0.010 0.000 0.299 255 F C 0.361 176.157 175.800 -0.006 0.000 1.096 255 F CA 3.174 61.169 58.000 -0.010 0.000 1.255 255 F CB 0.298 39.293 39.000 -0.008 0.000 0.997 255 F HN 0.365 8.712 8.300 0.263 0.111 0.479 256 K N -4.522 115.877 120.400 -0.001 0.000 2.288 256 K HA -0.268 3.913 4.320 -0.231 0.000 0.201 256 K C 0.652 177.185 176.600 -0.112 0.000 1.048 256 K CA 2.109 58.334 56.287 -0.104 0.000 0.956 256 K CB -0.857 31.639 32.500 -0.005 0.000 0.746 256 K HN 0.244 8.574 8.250 0.133 0.000 0.461 257 A N -1.672 121.109 122.820 -0.066 0.000 2.167 257 A HA -0.062 4.227 4.320 -0.053 0.000 0.214 257 A C 0.814 178.351 177.584 -0.079 0.000 1.151 257 A CA 1.572 53.576 52.037 -0.055 0.000 0.735 257 A CB -0.553 18.434 19.000 -0.022 0.000 0.802 257 A HN -0.404 7.586 8.150 -0.027 0.144 0.467 258 L N -3.019 118.126 121.223 -0.129 0.000 2.046 258 L HA -0.017 4.276 4.340 -0.078 0.000 0.203 258 L C 0.608 177.384 176.870 -0.156 0.000 1.111 258 L CA 0.830 55.592 54.840 -0.130 0.000 0.769 258 L CB 0.639 42.615 42.059 -0.138 0.000 0.914 258 L HN -0.725 7.231 8.230 -0.168 0.174 0.448 259 R N -1.370 118.977 120.500 -0.255 0.000 2.599 259 R HA 0.206 4.466 4.340 -0.133 0.000 0.295 259 R C -0.727 175.440 176.300 -0.221 0.000 0.963 259 R CA -1.000 54.978 56.100 -0.202 0.000 0.883 259 R CB 2.145 32.335 30.300 -0.183 0.000 1.171 259 R HN -0.476 7.552 8.270 -0.403 0.000 0.450 260 R N 4.022 124.441 120.500 -0.135 0.000 2.726 260 R HA -0.064 4.208 4.340 -0.114 0.000 0.272 260 R C 0.635 176.878 176.300 -0.096 0.000 1.097 260 R CA 0.615 56.651 56.100 -0.106 0.000 1.198 260 R CB 0.441 30.700 30.300 -0.069 0.000 1.114 260 R HN 0.546 8.753 8.270 -0.105 0.000 0.550 261 Q N -0.529 119.233 119.800 -0.064 0.000 2.204 261 Q HA -0.077 4.242 4.340 -0.036 0.000 0.198 261 Q C -0.488 175.500 176.000 -0.020 0.000 0.946 261 Q CA 1.630 57.413 55.803 -0.033 0.000 0.859 261 Q CB 0.707 29.439 28.738 -0.010 0.000 0.946 261 Q HN 0.248 8.484 8.270 -0.057 0.000 0.474 262 L N -2.058 119.150 121.223 -0.025 0.000 2.371 262 L HA 0.482 4.814 4.340 -0.014 0.000 0.262 262 L C -2.691 174.159 176.870 -0.034 0.000 1.006 262 L CA -3.374 51.453 54.840 -0.021 0.000 0.818 262 L CB 1.858 43.907 42.059 -0.016 0.000 1.354 262 L HN -0.571 7.641 8.230 -0.031 0.000 0.415 263 P HA -0.082 4.304 4.420 -0.055 0.000 0.270 263 P C 0.085 177.354 177.300 -0.051 0.000 1.227 263 P CA -0.243 62.824 63.100 -0.054 0.000 0.788 263 P CB 0.231 31.887 31.700 -0.074 0.000 0.926 264 V N -1.534 118.348 119.914 -0.054 0.000 2.392 264 V HA -0.341 3.755 4.120 -0.041 0.000 0.249 264 V C 1.030 177.096 176.094 -0.047 0.000 1.059 264 V CA 3.189 65.461 62.300 -0.047 0.000 1.051 264 V CB -0.261 31.534 31.823 -0.047 0.000 0.658 264 V HN 0.172 8.326 8.190 -0.060 0.000 0.455 265 T N -6.265 108.254 114.554 -0.058 0.000 3.025 265 T HA -0.313 4.006 4.350 -0.053 0.000 0.270 265 T C 0.712 175.383 174.700 -0.049 0.000 1.126 265 T CA 1.065 63.130 62.100 -0.059 0.000 1.105 265 T CB -0.460 68.362 68.868 -0.077 0.000 0.884 265 T HN -0.198 7.990 8.240 -0.068 0.011 0.522 266 R N -3.878 116.596 120.500 -0.043 0.000 3.951 266 R HA -0.370 4.013 4.340 -0.030 -0.061 0.352 266 R C -1.163 175.120 176.300 -0.030 0.000 1.178 266 R CA 1.077 57.157 56.100 -0.033 0.000 0.949 266 R CB -2.172 28.111 30.300 -0.028 0.000 1.452 266 R HN 0.264 8.271 8.270 -0.046 0.234 0.540 267 T N -6.085 108.447 114.554 -0.037 0.000 2.853 267 T HA 0.199 4.537 4.350 -0.019 0.000 0.311 267 T C -1.291 173.388 174.700 -0.035 0.000 1.307 267 T CA -2.001 60.081 62.100 -0.030 0.000 1.019 267 T CB 2.779 71.627 68.868 -0.034 0.000 1.264 267 T HN -0.652 7.512 8.240 -0.047 0.048 0.497 268 K N 0.869 121.260 120.400 -0.015 0.000 2.397 268 K HA -0.086 4.231 4.320 -0.005 0.000 0.265 268 K C 0.298 176.867 176.600 -0.050 0.000 0.982 268 K CA 0.708 56.993 56.287 -0.003 0.000 0.931 268 K CB 0.158 32.684 32.500 0.044 0.000 0.943 268 K HN 0.065 8.312 8.250 -0.004 0.000 0.501 269 I N 0.254 120.764 120.570 -0.099 0.000 2.710 269 I HA -0.180 3.816 4.170 -0.290 0.000 0.286 269 I C -0.033 175.918 176.117 -0.277 0.000 1.181 269 I CA 0.238 61.349 61.300 -0.315 0.000 1.430 269 I CB 0.221 37.796 38.000 -0.709 0.000 1.367 269 I HN -0.069 8.120 8.210 -0.036 0.000 0.577 270 D N 7.496 127.728 120.400 -0.279 0.000 2.479 270 D HA 0.053 4.680 4.640 -0.021 0.000 0.218 270 D C -0.046 176.158 176.300 -0.160 0.000 1.131 270 D CA -1.912 52.009 54.000 -0.131 0.000 0.916 270 D CB -0.821 39.913 40.800 -0.110 0.000 1.022 270 D HN 0.106 8.295 8.370 -0.302 0.000 0.515 271 W N 4.764 126.063 121.300 -0.001 0.000 2.392 271 W HA -0.367 4.299 4.660 0.011 0.000 0.279 271 W C 1.601 178.132 176.519 0.021 0.000 1.225 271 W CA 2.826 60.176 57.345 0.009 0.000 1.233 271 W CB -0.001 29.463 29.460 0.007 0.000 1.122 271 W HN -0.153 8.173 8.180 0.243 0.000 0.561 272 N N -0.962 117.858 118.700 0.201 0.000 2.244 272 N HA -0.348 4.492 4.740 0.166 0.000 0.183 272 N C 1.266 176.855 175.510 0.132 0.000 1.016 272 N CA 3.023 56.162 53.050 0.149 0.000 0.866 272 N CB -0.138 38.413 38.487 0.108 0.000 0.980 272 N HN -0.314 8.264 8.380 0.186 -0.087 0.430 273 K N -0.264 120.172 120.400 0.060 0.000 2.103 273 K HA -0.190 4.213 4.320 0.138 0.000 0.204 273 K C 2.505 179.155 176.600 0.083 0.000 1.052 273 K CA 2.682 58.994 56.287 0.041 0.000 0.945 273 K CB -0.194 32.238 32.500 -0.113 0.000 0.722 273 K HN -0.679 7.717 8.250 0.023 -0.133 0.443 274 I N -0.986 119.592 120.570 0.014 0.000 2.439 274 I HA -0.325 3.837 4.170 -0.012 0.000 0.251 274 I C 1.654 177.822 176.117 0.085 0.000 1.139 274 I CA 3.228 64.529 61.300 0.002 0.000 1.438 274 I CB 0.355 38.285 38.000 -0.117 0.000 1.085 274 I HN -0.474 7.630 8.210 -0.020 0.095 0.427 275 L N -1.134 120.169 121.223 0.134 0.000 2.610 275 L HA -0.159 4.250 4.340 0.115 0.000 0.232 275 L C 0.413 177.340 176.870 0.095 0.000 1.149 275 L CA 1.497 56.413 54.840 0.127 0.000 0.872 275 L CB 0.018 42.165 42.059 0.146 0.000 0.992 275 L HN -0.139 8.166 8.230 0.152 0.017 0.447 276 S N -2.113 113.654 115.700 0.111 0.000 3.770 276 S HA -0.025 4.450 4.470 0.008 0.000 0.238 276 S C 0.300 174.889 174.600 -0.017 0.000 1.143 276 S CA 0.537 58.766 58.200 0.047 0.000 0.869 276 S CB 1.540 64.770 63.200 0.050 0.000 1.057 276 S HN -0.765 7.569 8.310 0.151 0.067 0.507 277 Y N 5.009 125.309 120.300 -0.000 0.000 2.770 277 Y HA -0.293 4.254 4.550 -0.006 0.000 0.342 277 Y C -0.440 175.452 175.900 -0.013 0.000 1.221 277 Y CA 1.541 59.636 58.100 -0.009 0.000 1.560 277 Y CB 0.129 38.580 38.460 -0.015 0.000 1.213 277 Y HN -0.631 7.903 8.280 0.423 0.000 0.525 278 K N 4.805 125.212 120.400 0.011 0.000 2.328 278 K HA 0.234 4.573 4.320 0.032 0.000 0.246 278 K C -0.351 176.256 176.600 0.013 0.000 0.955 278 K CA -1.408 54.885 56.287 0.011 0.000 0.817 278 K CB 1.664 34.151 32.500 -0.022 0.000 1.208 278 K HN -0.224 7.966 8.250 -0.100 0.000 0.432 279 I N -5.186 115.393 120.570 0.014 0.000 2.454 279 I HA -0.091 4.092 4.170 0.022 0.000 0.254 279 I C 0.111 176.229 176.117 0.001 0.000 1.156 279 I CA 0.709 62.016 61.300 0.012 0.000 1.433 279 I CB 0.187 38.191 38.000 0.007 0.000 1.082 279 I HN 0.354 8.572 8.210 0.012 0.000 0.432 280 G N 0.427 109.222 108.800 -0.007 0.000 1.787 280 G HA2 -0.018 3.930 3.960 -0.020 0.000 0.235 280 G HA3 -0.018 3.936 3.960 -0.010 0.000 0.235 280 G C -1.634 173.257 174.900 -0.015 0.000 1.736 280 G CA -0.307 44.785 45.100 -0.014 0.000 0.927 280 G HN -0.437 7.805 8.290 -0.007 0.043 0.646 281 K N 0.000 120.386 120.400 -0.024 0.000 2.780 281 K HA 0.000 4.304 4.320 -0.027 0.000 0.191 281 K CA 0.000 56.275 56.287 -0.021 0.000 0.838 281 K CB 0.000 32.491 32.500 -0.015 0.000 1.064 281 K HN 0.000 8.231 8.250 -0.032 0.000 0.543