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 1jsa_1_A DATA FIRST_RESID 1 DATA SEQUENCE GNSKSGALSK EILEELQLNT KFTEEELSSW YQSFLKECPS GRITRQEFQT DATA SEQUENCE IYSKFFPEAD PKAYAQHVFR SFDANSDGTL DFKEYVIALH MTSAGKTNQK DATA SEQUENCE LEWAFSLYDV DGNGTISKNE VLEIVTAIFK MISPEDTKHL PEDENTPEKR DATA SEQUENCE AEKIWGFFGK KDDDKLTEKE FIEGTLANKE ILRLIQFE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 1 G C 0.000 174.902 174.900 0.004 0.000 0.946 1 G CA 0.000 45.102 45.100 0.004 0.000 0.502 2 N N 0.680 119.382 118.700 0.004 0.000 2.308 2 N HA 0.119 4.861 4.740 0.004 0.000 0.283 2 N C -0.901 174.612 175.510 0.005 0.000 1.105 2 N CA -0.349 52.704 53.050 0.004 0.000 0.840 2 N CB 1.173 39.662 38.487 0.004 0.000 1.633 2 N HN -0.331 8.052 8.380 0.005 0.000 0.476 3 S N 1.200 116.903 115.700 0.004 0.000 2.488 3 S HA -0.035 4.440 4.470 0.007 0.000 0.278 3 S C -0.301 174.301 174.600 0.004 0.000 1.259 3 S CA 0.608 58.811 58.200 0.005 0.000 1.061 3 S CB 0.608 63.810 63.200 0.004 0.000 0.910 3 S HN 0.013 8.325 8.310 0.003 0.000 0.491 4 K N 5.376 125.780 120.400 0.007 0.000 2.095 4 K HA 0.120 4.441 4.320 0.001 0.000 0.252 4 K C -0.397 176.204 176.600 0.001 0.000 0.977 4 K CA 0.010 56.301 56.287 0.006 0.000 0.900 4 K CB 1.092 33.603 32.500 0.019 0.000 1.060 4 K HN 0.330 8.586 8.250 0.010 0.000 0.449 5 S N 1.360 117.048 115.700 -0.019 0.000 2.830 5 S HA 0.097 4.556 4.470 -0.018 0.000 0.249 5 S C -0.948 173.599 174.600 -0.089 0.000 1.084 5 S CA -0.031 58.144 58.200 -0.042 0.000 0.852 5 S CB 1.547 64.710 63.200 -0.062 0.000 0.802 5 S HN 0.369 8.665 8.310 -0.024 0.000 0.481 6 G N -0.928 107.784 108.800 -0.146 0.000 2.157 6 G HA2 -0.205 3.768 3.960 0.023 0.000 0.114 6 G HA3 -0.205 3.501 3.960 -0.423 0.000 0.114 6 G C -0.614 173.736 174.900 -0.917 0.000 1.041 6 G CA -0.184 44.688 45.100 -0.380 0.000 0.714 6 G HN -0.360 7.868 8.290 -0.104 0.000 0.492 7 A N -2.940 119.643 122.820 -0.396 0.000 3.153 7 A HA -0.402 3.825 4.320 -0.155 0.000 0.265 7 A C -1.571 175.832 177.584 -0.302 0.000 1.212 7 A CA 1.411 53.267 52.037 -0.301 0.000 1.018 7 A CB -1.179 17.658 19.000 -0.272 0.000 1.130 7 A HN 0.103 8.121 8.150 -0.220 0.000 0.873 8 L N -7.974 113.044 121.223 -0.341 0.000 2.643 8 L HA 0.306 4.573 4.340 -0.121 0.000 0.257 8 L C -1.621 175.165 176.870 -0.140 0.000 0.922 8 L CA 0.237 54.957 54.840 -0.199 0.000 0.909 8 L CB 1.855 43.803 42.059 -0.183 0.000 1.424 8 L HN -0.883 7.028 8.230 -0.395 0.081 0.422 9 S N -2.748 112.912 115.700 -0.067 0.000 2.365 9 S HA -0.019 4.446 4.470 -0.009 0.000 0.126 9 S C 0.819 175.408 174.600 -0.017 0.000 0.626 9 S CA 0.588 58.769 58.200 -0.031 0.000 1.493 9 S CB 0.374 63.553 63.200 -0.036 0.000 0.946 9 S HN 0.104 8.380 8.310 -0.056 0.000 0.277 10 K N 0.305 120.691 120.400 -0.023 0.000 2.262 10 K HA -0.102 4.212 4.320 -0.009 0.000 0.200 10 K C 1.470 178.063 176.600 -0.011 0.000 1.049 10 K CA 2.224 58.502 56.287 -0.013 0.000 0.979 10 K CB -0.123 32.369 32.500 -0.013 0.000 0.773 10 K HN 0.188 8.417 8.250 -0.034 0.000 0.474 11 E N -0.214 119.978 120.200 -0.014 0.000 2.158 11 E HA -0.183 4.165 4.350 -0.003 0.000 0.191 11 E C 0.593 177.188 176.600 -0.009 0.000 0.982 11 E CA 1.804 58.200 56.400 -0.007 0.000 0.823 11 E CB -0.146 29.551 29.700 -0.005 0.000 0.766 11 E HN 0.194 8.541 8.360 -0.022 0.000 0.468 12 I N -3.158 117.403 120.570 -0.015 0.000 2.296 12 I HA -0.239 3.909 4.170 -0.037 0.000 0.242 12 I C 1.783 177.880 176.117 -0.033 0.000 1.087 12 I CA 1.694 62.977 61.300 -0.028 0.000 1.393 12 I CB 0.012 37.999 38.000 -0.021 0.000 1.093 12 I HN -0.540 7.661 8.210 -0.014 0.000 0.421 13 L N -0.305 120.907 121.223 -0.019 0.000 2.197 13 L HA -0.431 3.897 4.340 -0.022 0.000 0.215 13 L C 2.100 178.961 176.870 -0.014 0.000 1.095 13 L CA 3.104 57.935 54.840 -0.015 0.000 0.764 13 L CB -0.757 41.301 42.059 -0.003 0.000 0.897 13 L HN -0.323 7.900 8.230 -0.011 0.000 0.436 14 E N -0.350 119.844 120.200 -0.011 0.000 2.333 14 E HA -0.358 3.991 4.350 -0.002 0.000 0.200 14 E C 2.278 178.874 176.600 -0.006 0.000 1.010 14 E CA 2.660 59.057 56.400 -0.005 0.000 0.841 14 E CB -0.672 29.027 29.700 -0.001 0.000 0.757 14 E HN -0.274 8.051 8.360 -0.011 0.029 0.508 15 E N -1.889 118.300 120.200 -0.019 0.000 2.481 15 E HA -0.121 4.226 4.350 -0.005 0.000 0.195 15 E C 1.974 178.566 176.600 -0.013 0.000 1.047 15 E CA 0.656 57.044 56.400 -0.020 0.000 0.867 15 E CB -0.178 29.490 29.700 -0.053 0.000 0.858 15 E HN 0.375 8.500 8.360 -0.028 0.218 0.513 16 L N -3.837 117.377 121.223 -0.014 0.000 2.151 16 L HA -0.473 3.862 4.340 -0.009 0.000 0.219 16 L C 1.440 178.314 176.870 0.007 0.000 1.083 16 L CA 2.886 57.724 54.840 -0.004 0.000 0.782 16 L CB -1.057 41.002 42.059 -0.001 0.000 0.891 16 L HN 0.509 8.504 8.230 -0.016 0.225 0.439 17 Q N -1.627 118.178 119.800 0.010 0.000 1.921 17 Q HA -0.294 4.055 4.340 0.015 0.000 0.208 17 Q C 1.164 177.180 176.000 0.027 0.000 0.994 17 Q CA 1.956 57.769 55.803 0.017 0.000 0.857 17 Q CB 0.047 28.796 28.738 0.018 0.000 0.925 17 Q HN -0.246 7.992 8.270 0.007 0.035 0.421 18 L N -2.949 118.295 121.223 0.034 0.000 2.433 18 L HA -0.165 4.207 4.340 0.052 0.000 0.275 18 L C -0.262 176.655 176.870 0.078 0.000 1.128 18 L CA -0.310 54.563 54.840 0.055 0.000 0.875 18 L CB -0.901 41.195 42.059 0.061 0.000 1.171 18 L HN -0.664 7.583 8.230 0.028 0.000 0.463 19 N N 2.407 121.158 118.700 0.085 0.000 4.161 19 N HA -0.378 4.419 4.740 0.094 0.000 0.323 19 N C -1.044 174.516 175.510 0.084 0.000 2.153 19 N CA 0.664 53.785 53.050 0.118 0.000 3.017 19 N CB 0.883 39.527 38.487 0.261 0.000 0.293 19 N HN -0.132 8.288 8.380 0.067 0.000 0.790 20 T N 5.864 120.457 114.554 0.065 0.000 2.811 20 T HA 0.068 4.431 4.350 0.021 0.000 0.309 20 T C -0.163 174.567 174.700 0.048 0.000 1.005 20 T CA 0.513 62.631 62.100 0.029 0.000 0.955 20 T CB 0.462 69.325 68.868 -0.007 0.000 0.970 20 T HN 0.328 8.606 8.240 0.063 0.000 0.496 21 K N 8.206 128.631 120.400 0.042 0.000 2.550 21 K HA -0.234 4.157 4.320 0.119 0.000 0.280 21 K C 1.256 177.943 176.600 0.146 0.000 0.987 21 K CA 0.186 56.523 56.287 0.085 0.000 1.048 21 K CB 0.023 32.539 32.500 0.027 0.000 0.879 21 K HN 0.063 8.320 8.250 0.012 0.000 0.491 22 F N 0.834 120.798 119.950 0.024 0.000 2.063 22 F HA -0.303 4.228 4.527 0.008 0.000 0.298 22 F C 0.179 175.983 175.800 0.006 0.000 1.105 22 F CA 2.880 60.887 58.000 0.011 0.000 1.215 22 F CB 0.438 39.436 39.000 -0.003 0.000 0.972 22 F HN 0.400 9.037 8.300 0.562 0.000 0.483 23 T N -5.616 109.069 114.554 0.218 0.000 3.767 23 T HA 0.156 4.553 4.350 0.078 0.000 0.360 23 T C 0.258 175.024 174.700 0.111 0.000 1.181 23 T CA -0.583 61.590 62.100 0.122 0.000 1.110 23 T CB 1.669 70.606 68.868 0.116 0.000 1.201 23 T HN -0.750 7.652 8.240 0.264 -0.004 0.474 24 E N 4.900 125.146 120.200 0.076 0.000 2.284 24 E HA -0.469 3.924 4.350 0.072 0.000 0.200 24 E C -0.137 176.512 176.600 0.082 0.000 1.008 24 E CA 2.959 59.401 56.400 0.069 0.000 0.829 24 E CB -0.493 29.232 29.700 0.043 0.000 0.744 24 E HN 0.556 8.951 8.360 0.058 0.000 0.491 25 E N -2.348 117.901 120.200 0.081 0.000 2.476 25 E HA -0.045 4.351 4.350 0.077 0.000 0.191 25 E C 0.614 177.279 176.600 0.109 0.000 1.064 25 E CA 0.651 57.100 56.400 0.081 0.000 0.866 25 E CB -0.589 29.147 29.700 0.060 0.000 0.952 25 E HN -0.081 8.273 8.360 0.075 0.051 0.492 26 E N 0.738 121.021 120.200 0.139 0.000 2.057 26 E HA -0.038 4.382 4.350 0.116 0.000 0.191 26 E C 1.338 178.123 176.600 0.308 0.000 0.959 26 E CA 1.727 58.226 56.400 0.166 0.000 0.828 26 E CB 0.720 30.511 29.700 0.150 0.000 0.800 26 E HN 0.415 8.633 8.360 0.137 0.224 0.460 27 L N -3.076 118.368 121.223 0.368 0.000 2.784 27 L HA -0.124 4.752 4.340 0.893 0.000 0.247 27 L C 1.007 178.088 176.870 0.353 0.000 1.162 27 L CA 1.335 56.490 54.840 0.524 0.000 0.881 27 L CB -1.702 40.584 42.059 0.378 0.000 1.032 27 L HN -0.415 7.983 8.230 0.281 0.000 0.446 28 S N -0.411 115.441 115.700 0.254 0.000 2.339 28 S HA -0.033 4.503 4.470 0.110 0.000 0.213 28 S C 1.790 176.501 174.600 0.184 0.000 1.033 28 S CA 2.609 60.905 58.200 0.159 0.000 0.950 28 S CB 0.508 63.775 63.200 0.111 0.000 0.893 28 S HN 0.033 8.326 8.310 0.245 0.164 0.492 29 S N 2.882 118.699 115.700 0.195 0.000 2.489 29 S HA -0.104 4.450 4.470 0.141 0.000 0.228 29 S C 1.110 175.881 174.600 0.285 0.000 0.995 29 S CA 2.111 60.419 58.200 0.180 0.000 0.934 29 S CB -0.575 62.701 63.200 0.127 0.000 0.771 29 S HN -0.355 8.065 8.310 0.184 0.000 0.522 30 W N 2.564 123.958 121.300 0.157 0.000 2.595 30 W HA -0.132 4.672 4.660 0.240 0.000 0.257 30 W C 0.075 176.727 176.519 0.222 0.000 1.267 30 W CA 1.206 58.724 57.345 0.287 0.000 1.300 30 W CB -0.439 29.290 29.460 0.448 0.000 1.120 30 W HN -0.469 7.948 8.180 0.479 0.050 0.618 31 Y N 0.289 120.496 120.300 -0.155 0.000 2.184 31 Y HA -0.471 2.789 4.550 -2.150 0.000 0.290 31 Y C 1.663 177.424 175.900 -0.233 0.000 1.129 31 Y CA 3.746 61.348 58.100 -0.829 0.000 1.144 31 Y CB 0.260 38.325 38.460 -0.659 0.000 0.995 31 Y HN -0.745 7.512 8.280 0.213 0.150 0.513 32 Q N -1.303 118.402 119.800 -0.158 0.000 2.046 32 Q HA -0.430 3.672 4.340 -0.397 0.000 0.200 32 Q C 2.398 178.334 176.000 -0.107 0.000 0.975 32 Q CA 3.262 58.948 55.803 -0.196 0.000 0.836 32 Q CB -0.121 28.595 28.738 -0.037 0.000 0.896 32 Q HN -0.138 8.160 8.270 0.047 0.000 0.428 33 S N -0.156 115.582 115.700 0.064 0.000 2.407 33 S HA -0.364 4.145 4.470 0.065 0.000 0.235 33 S C 1.655 176.342 174.600 0.145 0.000 1.036 33 S CA 3.339 61.619 58.200 0.133 0.000 1.013 33 S CB -0.160 63.203 63.200 0.271 0.000 0.820 33 S HN -0.373 8.009 8.310 0.120 0.000 0.476 34 F N 1.238 121.202 119.950 0.022 0.000 2.187 34 F HA -0.165 4.396 4.527 0.057 0.000 0.295 34 F C 0.379 176.109 175.800 -0.117 0.000 1.091 34 F CA 1.861 59.859 58.000 -0.003 0.000 1.308 34 F CB 0.130 39.171 39.000 0.068 0.000 1.030 34 F HN -0.954 7.356 8.300 0.230 0.128 0.487 35 L N -1.489 119.271 121.223 -0.772 0.000 2.261 35 L HA -0.400 3.189 4.340 -1.251 0.000 0.216 35 L C 1.924 178.498 176.870 -0.494 0.000 1.114 35 L CA 2.431 56.766 54.840 -0.842 0.000 0.777 35 L CB -0.450 41.258 42.059 -0.586 0.000 0.910 35 L HN -0.887 6.944 8.230 -0.510 0.093 0.440 36 K N -2.285 117.932 120.400 -0.305 0.000 2.062 36 K HA -0.281 3.940 4.320 -0.166 0.000 0.205 36 K C 2.129 178.638 176.600 -0.151 0.000 1.051 36 K CA 2.259 58.443 56.287 -0.173 0.000 0.941 36 K CB -0.301 32.148 32.500 -0.085 0.000 0.719 36 K HN -0.279 7.667 8.250 -0.258 0.149 0.440 37 E N -1.890 118.229 120.200 -0.135 0.000 2.396 37 E HA -0.237 4.094 4.350 -0.033 0.000 0.200 37 E C -0.450 176.086 176.600 -0.106 0.000 1.023 37 E CA 1.655 58.018 56.400 -0.062 0.000 0.857 37 E CB -0.362 29.368 29.700 0.051 0.000 0.775 37 E HN -0.504 7.684 8.360 -0.134 0.091 0.525 38 C N -3.285 115.879 119.300 -0.226 0.000 3.224 38 C HA 0.086 4.469 4.460 -0.127 0.000 0.433 38 C C -2.025 172.791 174.990 -0.289 0.000 0.960 38 C CA -1.834 57.067 59.018 -0.194 0.000 1.253 38 C CB 2.466 30.137 27.740 -0.116 0.000 1.640 38 C HN -0.899 6.938 8.230 -0.331 0.194 0.591 39 P HA 0.059 4.432 4.420 -0.241 -0.098 0.288 39 P C -1.290 175.919 177.300 -0.153 0.000 1.448 39 P CA 0.797 63.785 63.100 -0.186 0.000 0.764 39 P CB -1.317 30.315 31.700 -0.114 0.000 1.472 40 S N 1.130 116.727 115.700 -0.171 0.000 2.713 40 S HA 0.125 4.573 4.470 -0.036 0.000 0.213 40 S C 0.684 175.264 174.600 -0.033 0.000 1.176 40 S CA -0.244 57.917 58.200 -0.065 0.000 1.256 40 S CB 1.243 64.443 63.200 -0.001 0.000 0.951 40 S HN 0.023 8.004 8.310 -0.242 0.184 0.506 41 G N -1.346 107.517 108.800 0.105 0.000 4.211 41 G HA2 0.071 4.206 3.960 0.293 0.000 0.192 41 G HA3 0.071 4.131 3.960 0.168 0.000 0.192 41 G C -2.022 173.061 174.900 0.306 0.000 0.951 41 G CA 0.351 45.587 45.100 0.228 0.000 0.804 41 G HN 0.011 8.381 8.290 0.132 0.000 0.489 42 R N -0.634 120.035 120.500 0.280 0.000 2.538 42 R HA 0.376 4.836 4.340 0.201 0.000 0.292 42 R C -1.592 174.841 176.300 0.220 0.000 1.008 42 R CA -0.945 55.286 56.100 0.218 0.000 0.896 42 R CB 2.634 33.024 30.300 0.151 0.000 1.187 42 R HN -0.753 7.667 8.270 0.250 0.000 0.440 43 I N 5.196 125.862 120.570 0.161 0.000 2.371 43 I HA 0.158 4.431 4.170 0.172 0.000 0.290 43 I C -0.168 176.073 176.117 0.205 0.000 1.028 43 I CA -0.087 61.300 61.300 0.146 0.000 1.345 43 I CB 1.259 39.270 38.000 0.019 0.000 1.407 43 I HN 0.174 8.454 8.210 0.118 0.000 0.501 44 T N 5.280 119.920 114.554 0.142 0.000 2.754 44 T HA 0.134 4.535 4.350 0.086 0.000 0.286 44 T C 0.149 174.814 174.700 -0.058 0.000 0.997 44 T CA -1.153 60.983 62.100 0.061 0.000 0.982 44 T CB 1.247 70.123 68.868 0.013 0.000 1.027 44 T HN 0.282 8.597 8.240 0.125 0.000 0.529 45 R N -0.608 119.656 120.500 -0.394 0.000 2.140 45 R HA -0.214 3.369 4.340 -1.262 0.000 0.213 45 R C 1.477 177.559 176.300 -0.363 0.000 1.059 45 R CA 3.130 58.679 56.100 -0.918 0.000 1.000 45 R CB -0.087 29.423 30.300 -1.316 0.000 0.910 45 R HN 0.471 8.561 8.270 -0.301 0.000 0.455 46 Q N -0.897 118.774 119.800 -0.215 0.000 2.224 46 Q HA -0.219 4.048 4.340 -0.123 0.000 0.203 46 Q C 1.771 177.751 176.000 -0.033 0.000 0.970 46 Q CA 2.827 58.564 55.803 -0.109 0.000 0.865 46 Q CB -0.401 28.287 28.738 -0.082 0.000 0.922 46 Q HN 0.157 8.300 8.270 -0.211 0.000 0.445 47 E N -2.805 117.392 120.200 -0.005 0.000 2.478 47 E HA -0.073 4.286 4.350 0.014 0.000 0.194 47 E C 1.464 178.103 176.600 0.066 0.000 1.045 47 E CA 0.472 56.889 56.400 0.029 0.000 0.868 47 E CB -0.649 29.073 29.700 0.037 0.000 0.885 47 E HN 0.162 8.486 8.360 -0.024 0.022 0.505 48 F N 1.122 121.051 119.950 -0.035 0.000 2.161 48 F HA -0.379 4.201 4.527 0.089 0.000 0.300 48 F C 1.171 177.013 175.800 0.070 0.000 1.089 48 F CA 3.653 61.682 58.000 0.049 0.000 1.282 48 F CB 0.408 39.448 39.000 0.067 0.000 1.010 48 F HN -0.855 7.354 8.300 0.154 0.183 0.485 49 Q N -4.811 115.071 119.800 0.137 0.000 2.369 49 Q HA -0.263 4.110 4.340 0.055 0.000 0.206 49 Q C 0.810 176.828 176.000 0.030 0.000 0.963 49 Q CA 2.263 58.105 55.803 0.065 0.000 0.894 49 Q CB -0.889 27.881 28.738 0.054 0.000 0.965 49 Q HN 0.124 8.483 8.270 0.164 0.010 0.475 50 T N 1.319 115.873 114.554 -0.000 0.000 3.051 50 T HA -0.249 4.101 4.350 0.000 0.000 0.269 50 T C 0.431 175.100 174.700 -0.052 0.000 1.127 50 T CA 3.452 65.544 62.100 -0.014 0.000 1.107 50 T CB -0.277 68.585 68.868 -0.011 0.000 0.898 50 T HN -0.334 7.733 8.240 0.007 0.177 0.517 51 I N -2.031 118.487 120.570 -0.086 0.000 2.512 51 I HA -0.200 3.860 4.170 -0.184 0.000 0.247 51 I C 1.106 177.083 176.117 -0.233 0.000 1.094 51 I CA 2.163 63.362 61.300 -0.168 0.000 1.427 51 I CB 0.533 38.430 38.000 -0.171 0.000 1.149 51 I HN -0.835 7.249 8.210 -0.097 0.067 0.438 52 Y N -0.583 119.589 120.300 -0.214 0.000 2.516 52 Y HA -0.454 4.097 4.550 0.001 0.000 0.284 52 Y C 1.538 177.412 175.900 -0.042 0.000 1.166 52 Y CA 3.041 61.130 58.100 -0.019 0.000 1.350 52 Y CB -1.073 37.498 38.460 0.185 0.000 0.967 52 Y HN -0.416 7.997 8.280 0.223 0.000 0.568 53 S N -2.908 112.789 115.700 -0.005 0.000 2.561 53 S HA -0.186 4.333 4.470 0.081 0.000 0.225 53 S C 0.805 175.309 174.600 -0.160 0.000 0.977 53 S CA 1.164 59.352 58.200 -0.020 0.000 0.926 53 S CB -0.759 62.432 63.200 -0.014 0.000 0.769 53 S HN -0.213 7.989 8.310 -0.022 0.095 0.533 54 K N -0.940 119.207 120.400 -0.422 0.000 2.202 54 K HA -0.079 4.093 4.320 -0.248 0.000 0.201 54 K C 1.440 177.796 176.600 -0.407 0.000 1.051 54 K CA 2.106 58.105 56.287 -0.481 0.000 0.977 54 K CB 0.538 32.593 32.500 -0.742 0.000 0.792 54 K HN 0.139 7.860 8.250 -0.568 0.188 0.469 55 F N -4.939 114.754 119.950 -0.428 0.000 2.776 55 F HA 0.066 4.200 4.527 -0.656 0.000 0.300 55 F C 0.178 175.138 175.800 -1.400 0.000 1.116 55 F CA -0.052 57.379 58.000 -0.949 0.000 1.375 55 F CB 0.629 38.856 39.000 -1.289 0.000 1.109 55 F HN -0.504 7.102 8.300 -1.158 0.000 0.585 56 F N -3.605 116.397 119.950 0.087 0.000 2.577 56 F HA 0.394 4.977 4.527 0.093 0.000 0.359 56 F C -1.793 174.049 175.800 0.070 0.000 1.535 56 F CA -2.949 55.110 58.000 0.098 0.000 1.093 56 F CB -0.182 38.913 39.000 0.159 0.000 1.613 56 F HN -0.617 7.526 8.300 -0.183 0.047 0.558 57 P HA -0.016 4.454 4.420 0.084 0.000 0.242 57 P C -0.508 176.850 177.300 0.097 0.000 1.197 57 P CA 0.463 63.612 63.100 0.082 0.000 0.765 57 P CB 0.032 31.749 31.700 0.028 0.000 0.936 58 E N -0.469 119.811 120.200 0.133 0.000 2.033 58 E HA -0.153 4.243 4.350 0.076 0.000 0.197 58 E C 0.199 176.861 176.600 0.103 0.000 0.955 58 E CA 0.550 57.013 56.400 0.104 0.000 0.855 58 E CB -0.302 29.462 29.700 0.108 0.000 0.841 58 E HN -0.136 8.225 8.360 0.186 0.110 0.476 59 A N -0.049 122.842 122.820 0.118 0.000 2.404 59 A HA -0.146 4.215 4.320 0.068 0.000 0.258 59 A C -0.952 176.698 177.584 0.109 0.000 1.644 59 A CA 0.136 52.228 52.037 0.092 0.000 0.847 59 A CB 0.592 19.634 19.000 0.071 0.000 1.473 59 A HN 0.041 8.278 8.150 0.144 0.000 0.602 60 D N -2.408 118.054 120.400 0.103 0.000 2.772 60 D HA 0.451 5.164 4.640 0.121 0.000 0.326 60 D C -1.738 174.638 176.300 0.128 0.000 1.207 60 D CA -1.588 52.478 54.000 0.111 0.000 0.777 60 D CB 0.970 41.820 40.800 0.084 0.000 1.169 60 D HN -0.192 8.230 8.370 0.086 0.000 0.506 61 P HA 0.020 4.554 4.420 0.190 0.000 0.261 61 P C -0.187 177.207 177.300 0.157 0.000 1.297 61 P CA 0.659 63.885 63.100 0.209 0.000 0.757 61 P CB -0.127 31.774 31.700 0.335 0.000 1.149 62 K N -1.952 118.516 120.400 0.113 0.000 2.211 62 K HA -0.196 4.149 4.320 0.043 0.000 0.203 62 K C 1.547 178.151 176.600 0.005 0.000 1.050 62 K CA 2.750 59.068 56.287 0.052 0.000 0.945 62 K CB -0.680 31.849 32.500 0.048 0.000 0.732 62 K HN 0.136 8.259 8.250 0.118 0.197 0.451 63 A N -2.138 120.709 122.820 0.044 0.000 1.970 63 A HA -0.114 4.168 4.320 -0.063 0.000 0.216 63 A C 0.241 177.838 177.584 0.022 0.000 1.170 63 A CA 2.508 54.554 52.037 0.014 0.000 0.645 63 A CB -0.528 18.525 19.000 0.088 0.000 0.816 63 A HN -0.686 7.491 8.150 0.086 0.024 0.447 64 Y N -1.865 118.435 120.300 -0.000 0.000 2.500 64 Y HA -0.078 4.601 4.550 0.214 0.000 0.270 64 Y C 0.230 176.087 175.900 -0.072 0.000 1.134 64 Y CA 0.646 58.774 58.100 0.046 0.000 1.293 64 Y CB 0.179 38.672 38.460 0.055 0.000 1.063 64 Y HN -0.289 8.032 8.280 0.218 0.090 0.534 65 A N -0.755 121.873 122.820 -0.320 0.000 2.014 65 A HA -0.258 3.579 4.320 -0.804 0.000 0.218 65 A C 0.929 178.385 177.584 -0.213 0.000 1.163 65 A CA 2.423 54.196 52.037 -0.439 0.000 0.652 65 A CB -0.638 18.197 19.000 -0.275 0.000 0.808 65 A HN -0.268 7.666 8.150 -0.113 0.148 0.449 66 Q N -4.970 114.670 119.800 -0.268 0.000 2.432 66 Q HA -0.226 3.983 4.340 -0.220 0.000 0.205 66 Q C 0.805 176.599 176.000 -0.343 0.000 0.945 66 Q CA 1.760 57.386 55.803 -0.294 0.000 0.924 66 Q CB 0.376 28.922 28.738 -0.320 0.000 1.016 66 Q HN -0.344 7.737 8.270 -0.279 0.022 0.503 67 H N -1.040 117.855 119.070 -0.291 0.000 2.465 67 H HA -0.038 4.400 4.556 -0.197 0.000 0.289 67 H C 1.964 177.088 175.328 -0.341 0.000 1.022 67 H CA 2.532 58.409 56.048 -0.286 0.000 1.340 67 H CB 0.153 29.747 29.762 -0.281 0.000 1.437 67 H HN -0.750 7.105 8.280 -0.421 0.172 0.539 68 V N -1.019 118.684 119.914 -0.352 0.000 3.241 68 V HA -0.359 3.646 4.120 -0.192 0.000 0.269 68 V C 0.549 176.490 176.094 -0.256 0.000 1.151 68 V CA 2.049 64.203 62.300 -0.242 0.000 1.158 68 V CB -1.118 30.643 31.823 -0.103 0.000 0.764 68 V HN -0.941 6.954 8.190 -0.492 0.000 0.508 69 F N 2.198 121.819 119.950 -0.548 0.000 2.044 69 F HA -0.327 3.834 4.527 -0.610 0.000 0.287 69 F C 0.775 176.442 175.800 -0.221 0.000 1.155 69 F CA 3.942 61.632 58.000 -0.518 0.000 1.152 69 F CB 0.181 38.856 39.000 -0.541 0.000 1.013 69 F HN -0.523 7.545 8.300 -0.268 0.071 0.478 70 R N -1.164 119.382 120.500 0.077 0.000 2.332 70 R HA -0.408 3.911 4.340 -0.035 0.000 0.239 70 R C 1.806 178.039 176.300 -0.111 0.000 1.160 70 R CA 2.299 58.390 56.100 -0.015 0.000 1.020 70 R CB -0.817 29.500 30.300 0.029 0.000 0.859 70 R HN 0.173 8.581 8.270 0.230 0.000 0.478 71 S N -1.598 114.030 115.700 -0.120 0.000 2.370 71 S HA -0.261 4.241 4.470 -0.196 -0.149 0.226 71 S C 0.571 175.189 174.600 0.030 0.000 1.033 71 S CA 2.807 60.929 58.200 -0.130 0.000 1.011 71 S CB 0.624 63.716 63.200 -0.180 0.000 0.852 71 S HN -0.504 7.636 8.310 -0.119 0.099 0.457 72 F N -1.856 118.029 119.950 -0.109 0.000 2.974 72 F HA 0.152 4.667 4.527 -0.021 0.000 0.357 72 F C -1.315 174.379 175.800 -0.175 0.000 1.114 72 F CA -0.129 57.848 58.000 -0.037 0.000 1.099 72 F CB 3.243 42.352 39.000 0.182 0.000 1.205 72 F HN -0.063 8.128 8.300 -0.011 0.102 0.535 73 D N 1.670 121.869 120.400 -0.336 0.000 2.395 73 D HA 0.179 4.610 4.640 -0.348 0.000 0.226 73 D C -0.863 175.242 176.300 -0.325 0.000 1.146 73 D CA -1.127 52.562 54.000 -0.518 0.000 0.830 73 D CB 0.329 40.255 40.800 -1.457 0.000 0.958 73 D HN -0.015 8.142 8.370 -0.356 0.000 0.501 74 A N -2.266 120.388 122.820 -0.277 0.000 2.430 74 A HA 0.139 4.393 4.320 -0.110 0.000 0.243 74 A C -0.188 177.281 177.584 -0.192 0.000 1.254 74 A CA 0.014 51.945 52.037 -0.176 0.000 0.914 74 A CB -0.291 18.621 19.000 -0.147 0.000 0.998 74 A HN 0.170 8.012 8.150 -0.336 0.106 0.515 75 N N -1.407 117.133 118.700 -0.267 0.000 3.167 75 N HA -0.223 4.379 4.740 -0.230 0.000 0.318 75 N C -0.562 174.873 175.510 -0.124 0.000 1.268 75 N CA 0.002 52.911 53.050 -0.234 0.000 1.197 75 N CB -2.310 35.996 38.487 -0.302 0.000 1.464 75 N HN -0.196 7.916 8.380 -0.326 0.073 0.555 76 S N -1.015 114.630 115.700 -0.092 0.000 3.484 76 S HA -0.316 4.131 4.470 -0.039 0.000 0.384 76 S C -1.025 173.555 174.600 -0.033 0.000 0.932 76 S CA 1.545 59.715 58.200 -0.050 0.000 1.293 76 S CB -0.968 62.207 63.200 -0.041 0.000 0.919 76 S HN 0.580 8.741 8.310 -0.101 0.088 0.540 77 D N -3.151 117.234 120.400 -0.026 0.000 2.846 77 D HA -0.002 4.643 4.640 0.008 0.000 0.200 77 D C 0.534 176.854 176.300 0.033 0.000 1.421 77 D CA 0.141 54.141 54.000 0.001 0.000 1.400 77 D CB 1.089 41.882 40.800 -0.012 0.000 1.461 77 D HN -0.158 8.192 8.370 -0.034 0.000 0.352 78 G N 2.198 111.028 108.800 0.051 0.000 2.213 78 G HA2 -0.328 3.715 3.960 0.137 0.000 0.226 78 G HA3 -0.328 3.684 3.960 0.086 0.000 0.226 78 G C -1.155 173.869 174.900 0.207 0.000 0.992 78 G CA 0.301 45.471 45.100 0.116 0.000 0.632 78 G HN -0.088 8.213 8.290 0.019 0.000 0.511 79 T N -2.626 112.029 114.554 0.168 0.000 2.900 79 T HA 0.384 5.057 4.350 0.415 -0.074 0.303 79 T C -1.301 173.479 174.700 0.134 0.000 1.142 79 T CA -2.070 60.171 62.100 0.235 0.000 1.007 79 T CB 3.450 72.415 68.868 0.161 0.000 1.156 79 T HN -0.641 7.710 8.240 0.093 -0.056 0.490 80 L N 3.632 124.962 121.223 0.180 0.000 2.265 80 L HA 0.240 4.779 4.340 -0.035 -0.220 0.288 80 L C -0.980 175.923 176.870 0.056 0.000 1.058 80 L CA -0.793 54.081 54.840 0.056 0.000 0.809 80 L CB 0.909 43.049 42.059 0.136 0.000 1.179 80 L HN 0.260 8.694 8.230 0.340 0.000 0.429 81 D N 5.059 125.494 120.400 0.059 0.000 2.348 81 D HA 0.233 4.931 4.640 0.097 0.000 0.249 81 D C 0.905 177.240 176.300 0.058 0.000 1.110 81 D CA -0.566 53.484 54.000 0.084 0.000 0.967 81 D CB 2.323 43.191 40.800 0.113 0.000 1.139 81 D HN 0.285 9.112 8.370 0.060 -0.421 0.466 82 F N 3.439 123.366 119.950 -0.038 0.000 2.171 82 F HA -0.415 3.998 4.527 -0.191 0.000 0.300 82 F C 0.716 176.507 175.800 -0.015 0.000 1.090 82 F CA 4.528 62.486 58.000 -0.068 0.000 1.293 82 F CB 0.650 39.704 39.000 0.090 0.000 1.013 82 F HN 0.351 8.828 8.300 0.294 0.000 0.486 83 K N -0.511 120.004 120.400 0.192 0.000 1.978 83 K HA -0.413 3.973 4.320 0.109 0.000 0.214 83 K C 1.441 178.034 176.600 -0.011 0.000 1.049 83 K CA 3.738 60.077 56.287 0.087 0.000 0.939 83 K CB -0.618 31.926 32.500 0.074 0.000 0.721 83 K HN 0.177 8.546 8.250 0.220 0.014 0.441 84 E N -3.312 116.902 120.200 0.023 0.000 2.268 84 E HA -0.284 4.009 4.350 -0.095 0.000 0.195 84 E C 1.983 178.524 176.600 -0.098 0.000 0.995 84 E CA 2.407 58.798 56.400 -0.015 0.000 0.836 84 E CB -0.967 28.841 29.700 0.179 0.000 0.763 84 E HN 0.223 8.626 8.360 0.071 0.000 0.491 85 Y N 2.130 122.282 120.300 -0.248 0.000 2.133 85 Y HA -0.415 4.031 4.550 -0.174 0.000 0.287 85 Y C 1.231 176.890 175.900 -0.402 0.000 1.134 85 Y CA 3.564 61.459 58.100 -0.342 0.000 1.133 85 Y CB 0.167 38.261 38.460 -0.610 0.000 0.987 85 Y HN -0.312 7.812 8.280 -0.013 0.148 0.502 86 V N -0.843 118.724 119.914 -0.578 0.000 2.392 86 V HA -0.519 3.188 4.120 -0.688 0.000 0.249 86 V C 2.163 178.082 176.094 -0.291 0.000 1.059 86 V CA 4.616 66.607 62.300 -0.516 0.000 1.051 86 V CB -0.889 30.754 31.823 -0.299 0.000 0.658 86 V HN -0.212 7.704 8.190 -0.458 0.000 0.455 87 I N -0.368 120.030 120.570 -0.285 0.000 2.127 87 I HA -0.592 3.564 4.170 -0.024 0.000 0.241 87 I C 2.093 177.989 176.117 -0.368 0.000 1.075 87 I CA 2.536 63.715 61.300 -0.202 0.000 1.334 87 I CB -1.910 35.853 38.000 -0.395 0.000 1.040 87 I HN -0.895 7.124 8.210 -0.297 0.013 0.405 88 A N -0.512 121.927 122.820 -0.634 0.000 1.873 88 A HA -0.242 3.000 4.320 -1.796 0.000 0.215 88 A C 2.311 179.553 177.584 -0.571 0.000 1.186 88 A CA 3.179 54.660 52.037 -0.927 0.000 0.616 88 A CB -0.614 18.135 19.000 -0.420 0.000 0.823 88 A HN -0.571 7.267 8.150 -0.519 0.000 0.442 89 L N -2.876 118.074 121.223 -0.455 0.000 2.079 89 L HA -0.313 3.949 4.340 -0.131 0.000 0.210 89 L C 1.218 178.002 176.870 -0.143 0.000 1.081 89 L CA 2.878 57.541 54.840 -0.295 0.000 0.752 89 L CB -0.881 40.859 42.059 -0.532 0.000 0.896 89 L HN 0.160 8.025 8.230 -0.608 0.000 0.433 90 H N -5.343 113.589 119.070 -0.230 0.000 2.544 90 H HA -0.014 4.502 4.556 -0.067 0.000 0.269 90 H C 2.436 177.719 175.328 -0.074 0.000 0.970 90 H CA 1.854 57.845 56.048 -0.095 0.000 1.219 90 H CB 0.762 30.506 29.762 -0.030 0.000 1.421 90 H HN -0.056 8.094 8.280 -0.026 0.115 0.555 91 M N 1.345 120.412 119.600 -0.889 0.000 2.175 91 M HA -0.143 3.794 4.480 -0.905 0.000 0.264 91 M C 1.086 177.282 176.300 -0.172 0.000 1.063 91 M CA 3.340 58.191 55.300 -0.749 0.000 1.119 91 M CB -0.093 31.945 32.600 -0.937 0.000 1.377 91 M HN -0.311 7.418 8.290 -0.687 0.148 0.415 92 T N -3.359 111.174 114.554 -0.035 0.000 3.320 92 T HA -0.137 4.536 4.350 0.538 0.000 0.262 92 T C -0.090 174.731 174.700 0.201 0.000 1.187 92 T CA 2.073 64.346 62.100 0.288 0.000 1.038 92 T CB -0.400 68.677 68.868 0.349 0.000 0.939 92 T HN -0.588 7.545 8.240 -0.179 0.000 0.550 93 S N -0.987 114.770 115.700 0.095 0.000 4.689 93 S HA -0.052 4.488 4.470 0.116 0.000 0.207 93 S C -1.555 173.112 174.600 0.113 0.000 1.214 93 S CA -0.069 58.202 58.200 0.119 0.000 1.023 93 S CB -0.575 62.717 63.200 0.152 0.000 2.039 93 S HN -0.476 7.571 8.310 -0.013 0.255 0.588 94 A N 1.848 124.812 122.820 0.240 0.000 2.822 94 A HA -0.295 4.127 4.320 0.170 0.000 0.279 94 A C -0.223 177.389 177.584 0.047 0.000 1.356 94 A CA 0.950 53.103 52.037 0.193 0.000 0.961 94 A CB -1.051 18.109 19.000 0.267 0.000 0.977 94 A HN 0.431 8.818 8.150 0.396 0.000 0.650 95 G N -4.665 104.159 108.800 0.039 0.000 2.752 95 G HA2 -0.410 3.559 3.960 0.014 0.000 0.234 95 G HA3 -0.410 3.540 3.960 -0.017 0.000 0.234 95 G C -2.690 172.231 174.900 0.035 0.000 1.367 95 G CA -0.468 44.640 45.100 0.013 0.000 0.879 95 G HN -0.687 7.558 8.290 0.069 0.086 0.563 96 K N 1.795 122.212 120.400 0.028 0.000 2.449 96 K HA 0.266 4.623 4.320 0.062 0.000 0.257 96 K C -0.547 176.073 176.600 0.033 0.000 0.989 96 K CA -1.137 55.176 56.287 0.044 0.000 0.916 96 K CB 0.628 33.155 32.500 0.045 0.000 1.136 96 K HN 0.126 8.384 8.250 0.012 0.000 0.439 97 T N 3.327 117.906 114.554 0.041 0.000 2.636 97 T HA 0.108 4.470 4.350 0.020 0.000 0.199 97 T C -0.312 174.411 174.700 0.037 0.000 0.770 97 T CA -1.114 61.005 62.100 0.032 0.000 1.712 97 T CB 1.215 70.104 68.868 0.035 0.000 3.035 97 T HN 0.275 8.547 8.240 0.053 0.000 0.396 98 N N 1.421 120.144 118.700 0.038 0.000 2.430 98 N HA 0.195 4.957 4.740 0.036 0.000 0.298 98 N C -0.598 174.942 175.510 0.049 0.000 1.130 98 N CA -0.167 52.905 53.050 0.038 0.000 0.894 98 N CB 1.222 39.727 38.487 0.029 0.000 1.209 98 N HN 0.128 8.531 8.380 0.038 0.000 0.503 99 Q N 0.511 120.340 119.800 0.049 0.000 1.786 99 Q HA -0.496 3.877 4.340 0.055 0.000 0.369 99 Q C -0.697 175.350 176.000 0.078 0.000 0.796 99 Q CA 2.099 57.937 55.803 0.058 0.000 0.877 99 Q CB -0.103 28.666 28.738 0.052 0.000 3.276 99 Q HN 0.279 8.575 8.270 0.043 0.000 0.718 100 K N -2.204 118.247 120.400 0.085 0.000 2.284 100 K HA -0.422 3.965 4.320 0.112 0.000 0.253 100 K C 0.033 176.716 176.600 0.139 0.000 1.569 100 K CA 1.036 57.389 56.287 0.109 0.000 0.772 100 K CB -1.104 31.457 32.500 0.101 0.000 0.801 100 K HN -0.023 8.273 8.250 0.076 0.000 0.913 101 L N -4.202 117.126 121.223 0.175 0.000 5.279 101 L HA -0.527 3.974 4.340 0.269 0.000 0.428 101 L C 1.148 178.165 176.870 0.245 0.000 0.974 101 L CA 2.544 57.520 54.840 0.226 0.000 1.338 101 L CB -0.659 41.516 42.059 0.194 0.000 1.740 101 L HN 0.686 9.014 8.230 0.164 0.000 0.657 102 E N -1.311 119.016 120.200 0.211 0.000 2.208 102 E HA -0.309 4.151 4.350 0.184 0.000 0.193 102 E C 1.292 178.026 176.600 0.223 0.000 0.988 102 E CA 2.423 58.939 56.400 0.192 0.000 0.828 102 E CB -0.441 29.346 29.700 0.146 0.000 0.763 102 E HN 0.212 8.541 8.360 0.184 0.142 0.478 103 W N -0.396 120.942 121.300 0.063 0.000 2.538 103 W HA -0.359 4.340 4.660 0.066 0.000 0.254 103 W C 0.113 176.637 176.519 0.009 0.000 1.249 103 W CA 2.624 59.987 57.345 0.030 0.000 1.253 103 W CB -0.317 29.118 29.460 -0.041 0.000 1.130 103 W HN 0.212 8.585 8.180 0.371 0.029 0.618 104 A N -0.282 122.543 122.820 0.008 0.000 1.873 104 A HA -0.337 3.683 4.320 -0.500 0.000 0.215 104 A C 0.725 178.120 177.584 -0.316 0.000 1.186 104 A CA 2.706 54.629 52.037 -0.191 0.000 0.616 104 A CB -0.838 18.258 19.000 0.160 0.000 0.823 104 A HN -0.557 7.541 8.150 0.206 0.175 0.442 105 F N -2.335 117.331 119.950 -0.473 0.000 2.664 105 F HA -0.266 3.291 4.527 -1.617 0.000 0.297 105 F C 0.270 175.753 175.800 -0.529 0.000 1.164 105 F CA 1.255 58.723 58.000 -0.886 0.000 1.472 105 F CB -0.014 38.589 39.000 -0.661 0.000 1.108 105 F HN -0.371 7.955 8.300 0.043 0.000 0.596 106 S N -0.648 114.800 115.700 -0.419 0.000 2.421 106 S HA -0.166 4.128 4.470 -0.293 0.000 0.224 106 S C 1.657 175.938 174.600 -0.532 0.000 1.035 106 S CA 2.756 60.710 58.200 -0.410 0.000 0.953 106 S CB 0.798 63.794 63.200 -0.341 0.000 0.810 106 S HN -0.582 7.252 8.310 -0.417 0.225 0.497 107 L N 2.112 122.915 121.223 -0.700 0.000 2.179 107 L HA -0.072 3.980 4.340 -0.480 0.000 0.208 107 L C 0.495 177.077 176.870 -0.480 0.000 1.096 107 L CA 2.048 56.536 54.840 -0.587 0.000 0.779 107 L CB -0.910 40.723 42.059 -0.710 0.000 0.922 107 L HN -0.660 6.973 8.230 -0.848 0.088 0.443 108 Y N -3.953 116.042 120.300 -0.508 0.000 2.395 108 Y HA -0.249 4.143 4.550 -0.263 0.000 0.293 108 Y C 1.000 176.604 175.900 -0.493 0.000 1.123 108 Y CA 2.777 60.630 58.100 -0.412 0.000 1.227 108 Y CB 0.658 38.887 38.460 -0.386 0.000 1.012 108 Y HN -0.624 7.411 8.280 -0.408 0.000 0.552 109 D N -0.138 119.937 120.400 -0.542 0.000 3.057 109 D HA 0.055 4.633 4.640 -0.421 -0.191 0.246 109 D C 0.116 176.227 176.300 -0.315 0.000 1.238 109 D CA -2.091 51.596 54.000 -0.521 0.000 0.949 109 D CB -1.904 38.406 40.800 -0.816 0.000 1.086 109 D HN -0.632 7.229 8.370 -0.647 0.121 0.487 110 V N 0.847 120.609 119.914 -0.254 0.000 2.223 110 V HA -0.540 3.479 4.120 -0.168 0.000 0.253 110 V C 1.007 177.028 176.094 -0.123 0.000 1.061 110 V CA 3.428 65.625 62.300 -0.172 0.000 1.035 110 V CB -0.222 31.514 31.823 -0.145 0.000 0.653 110 V HN -0.579 7.377 8.190 -0.266 0.075 0.454 111 D N -2.282 118.056 120.400 -0.104 0.000 2.116 111 D HA -0.233 4.374 4.640 -0.056 0.000 0.193 111 D C 0.742 176.994 176.300 -0.079 0.000 0.998 111 D CA 0.902 54.858 54.000 -0.073 0.000 0.836 111 D CB 0.020 40.785 40.800 -0.058 0.000 0.951 111 D HN -0.266 8.038 8.370 -0.109 0.000 0.449 112 G N -0.203 108.534 108.800 -0.104 0.000 2.898 112 G HA2 -0.383 3.763 3.960 -0.111 0.000 0.267 112 G HA3 -0.383 3.532 3.960 -0.074 0.000 0.267 112 G C -0.935 173.948 174.900 -0.028 0.000 1.061 112 G CA 0.071 45.123 45.100 -0.081 0.000 1.230 112 G HN -0.142 8.290 8.290 -0.133 -0.222 0.569 113 N N 0.670 119.367 118.700 -0.006 0.000 2.416 113 N HA 0.125 4.875 4.740 0.017 0.000 0.267 113 N C 0.552 176.112 175.510 0.082 0.000 1.294 113 N CA -1.341 51.725 53.050 0.027 0.000 0.891 113 N CB 0.032 38.527 38.487 0.014 0.000 1.238 113 N HN -0.099 8.656 8.380 -0.030 -0.393 0.508 114 G N -0.218 108.667 108.800 0.142 0.000 2.216 114 G HA2 -0.487 3.611 3.960 0.230 0.000 0.269 114 G HA3 -0.487 3.525 3.960 0.087 0.000 0.269 114 G C -1.626 173.438 174.900 0.274 0.000 0.981 114 G CA 1.687 46.898 45.100 0.184 0.000 0.658 114 G HN 0.206 8.554 8.290 0.129 0.019 0.539 115 T N -4.830 109.895 114.554 0.285 0.000 3.041 115 T HA 0.517 5.293 4.350 0.411 -0.179 0.321 115 T C -1.424 173.385 174.700 0.182 0.000 1.184 115 T CA -1.889 60.380 62.100 0.282 0.000 1.050 115 T CB 2.737 71.693 68.868 0.145 0.000 1.159 115 T HN -1.033 7.160 8.240 0.187 0.160 0.469 116 I N 4.111 124.799 120.570 0.197 0.000 2.577 116 I HA 0.176 4.487 4.170 -0.024 -0.155 0.300 116 I C -0.874 175.350 176.117 0.178 0.000 0.990 116 I CA -0.226 61.125 61.300 0.086 0.000 1.283 116 I CB 1.925 39.969 38.000 0.074 0.000 1.411 116 I HN 0.736 9.021 8.210 0.321 0.117 0.515 117 S N 0.540 116.298 115.700 0.097 0.000 2.740 117 S HA 0.361 4.886 4.470 0.092 0.000 0.300 117 S C 0.384 174.891 174.600 -0.156 0.000 1.147 117 S CA -2.575 55.630 58.200 0.009 0.000 0.871 117 S CB 2.357 65.538 63.200 -0.032 0.000 1.173 117 S HN -0.113 8.223 8.310 0.043 0.000 0.510 118 K N 2.238 122.390 120.400 -0.413 0.000 2.097 118 K HA -0.372 3.628 4.320 -0.532 0.000 0.206 118 K C 1.720 178.207 176.600 -0.189 0.000 1.049 118 K CA 4.105 60.122 56.287 -0.450 0.000 0.933 118 K CB -0.064 32.120 32.500 -0.526 0.000 0.717 118 K HN 0.740 8.734 8.250 -0.426 0.000 0.442 119 N N -0.699 117.917 118.700 -0.141 0.000 1.997 119 N HA -0.399 4.292 4.740 -0.082 0.000 0.198 119 N C 1.639 177.116 175.510 -0.055 0.000 1.063 119 N CA 3.401 56.400 53.050 -0.084 0.000 0.860 119 N CB -0.185 38.260 38.487 -0.069 0.000 1.063 119 N HN -0.378 7.901 8.380 -0.155 0.008 0.424 120 E N 0.094 120.265 120.200 -0.049 0.000 2.086 120 E HA -0.438 3.866 4.350 -0.077 0.000 0.200 120 E C 2.472 179.074 176.600 0.004 0.000 1.012 120 E CA 2.997 59.368 56.400 -0.049 0.000 0.812 120 E CB -0.306 29.360 29.700 -0.058 0.000 0.743 120 E HN 0.085 8.413 8.360 -0.054 0.000 0.453 121 V N -1.389 118.572 119.914 0.079 0.000 2.469 121 V HA -0.420 3.921 4.120 0.368 0.000 0.251 121 V C 1.921 178.094 176.094 0.132 0.000 1.064 121 V CA 4.224 66.648 62.300 0.207 0.000 1.066 121 V CB -0.366 31.598 31.823 0.235 0.000 0.667 121 V HN -0.461 7.758 8.190 0.047 -0.001 0.461 122 L N -0.417 120.827 121.223 0.036 0.000 2.027 122 L HA -0.407 3.951 4.340 0.029 0.000 0.206 122 L C 1.878 178.752 176.870 0.007 0.000 1.074 122 L CA 3.306 58.153 54.840 0.012 0.000 0.745 122 L CB -0.518 41.524 42.059 -0.029 0.000 0.898 122 L HN 0.091 8.173 8.230 0.001 0.149 0.433 123 E N -0.134 120.053 120.200 -0.023 0.000 2.012 123 E HA -0.382 3.983 4.350 0.025 0.000 0.197 123 E C 2.545 179.106 176.600 -0.065 0.000 1.007 123 E CA 3.312 59.694 56.400 -0.031 0.000 0.816 123 E CB -0.724 28.922 29.700 -0.089 0.000 0.762 123 E HN -0.549 7.791 8.360 -0.033 0.000 0.451 124 I N -0.871 119.568 120.570 -0.219 0.000 2.399 124 I HA -0.328 3.689 4.170 -0.255 0.000 0.254 124 I C 2.221 178.341 176.117 0.006 0.000 1.146 124 I CA 3.151 64.311 61.300 -0.233 0.000 1.412 124 I CB -0.559 37.154 38.000 -0.479 0.000 1.076 124 I HN -0.517 7.545 8.210 -0.246 0.000 0.432 125 V N 1.329 121.294 119.914 0.085 0.000 2.323 125 V HA -0.454 3.797 4.120 0.219 0.000 0.244 125 V C 2.035 178.219 176.094 0.149 0.000 1.041 125 V CA 4.594 66.990 62.300 0.159 0.000 1.025 125 V CB -0.276 31.634 31.823 0.143 0.000 0.656 125 V HN -0.411 7.689 8.190 0.065 0.129 0.451 126 T N 1.970 116.573 114.554 0.082 0.000 2.746 126 T HA -0.419 3.938 4.350 0.013 0.000 0.267 126 T C 1.743 176.552 174.700 0.183 0.000 1.039 126 T CA 4.809 66.957 62.100 0.080 0.000 1.142 126 T CB -0.374 68.516 68.868 0.036 0.000 0.866 126 T HN 0.135 8.408 8.240 0.055 0.000 0.444 127 A N 1.539 124.468 122.820 0.182 0.000 1.883 127 A HA -0.376 4.065 4.320 0.201 0.000 0.217 127 A C 1.636 179.348 177.584 0.212 0.000 1.186 127 A CA 3.304 55.477 52.037 0.228 0.000 0.624 127 A CB -0.701 18.511 19.000 0.352 0.000 0.822 127 A HN 0.135 8.377 8.150 0.153 0.000 0.444 128 I N -1.733 118.942 120.570 0.175 0.000 2.335 128 I HA -0.523 3.628 4.170 -0.031 0.000 0.251 128 I C 1.686 177.883 176.117 0.134 0.000 1.129 128 I CA 3.453 64.802 61.300 0.082 0.000 1.402 128 I CB -0.083 37.963 38.000 0.078 0.000 1.069 128 I HN -0.306 8.005 8.210 0.169 0.000 0.424 129 F N -1.635 118.338 119.950 0.039 0.000 2.134 129 F HA -0.368 4.179 4.527 0.033 0.000 0.299 129 F C 1.124 176.947 175.800 0.039 0.000 1.097 129 F CA 3.591 61.615 58.000 0.039 0.000 1.264 129 F CB -0.328 38.700 39.000 0.048 0.000 1.001 129 F HN -0.810 7.599 8.300 0.400 0.131 0.479 130 K N -2.047 118.479 120.400 0.210 0.000 2.032 130 K HA -0.344 4.055 4.320 0.132 0.000 0.209 130 K C 2.179 178.818 176.600 0.064 0.000 1.048 130 K CA 2.386 58.751 56.287 0.129 0.000 0.927 130 K CB -0.258 32.321 32.500 0.132 0.000 0.712 130 K HN -0.430 7.871 8.250 0.252 0.100 0.441 131 M N -1.654 117.976 119.600 0.050 0.000 2.202 131 M HA -0.287 4.216 4.480 0.040 0.000 0.262 131 M C -0.543 175.730 176.300 -0.045 0.000 1.063 131 M CA 1.259 56.561 55.300 0.003 0.000 1.097 131 M CB 0.310 32.880 32.600 -0.051 0.000 1.382 131 M HN -0.919 7.417 8.290 0.077 0.000 0.413 132 I N -2.044 118.466 120.570 -0.100 0.000 2.634 132 I HA -0.129 3.961 4.170 -0.134 0.000 0.284 132 I C -0.900 175.148 176.117 -0.115 0.000 1.124 132 I CA -0.085 61.117 61.300 -0.162 0.000 1.417 132 I CB 0.541 38.334 38.000 -0.345 0.000 1.396 132 I HN -0.933 7.095 8.210 -0.098 0.123 0.571 133 S N 4.517 120.164 115.700 -0.088 0.000 2.585 133 S HA 0.353 4.810 4.470 -0.022 0.000 0.277 133 S C -0.545 174.027 174.600 -0.047 0.000 1.241 133 S CA -2.405 55.769 58.200 -0.044 0.000 1.041 133 S CB 1.040 64.228 63.200 -0.022 0.000 0.987 133 S HN -0.093 8.160 8.310 -0.096 0.000 0.512 134 P HA -0.213 4.207 4.420 -0.000 0.000 0.215 134 P C 1.244 178.557 177.300 0.022 0.000 1.157 134 P CA 2.255 65.359 63.100 0.007 0.000 0.874 134 P CB 0.219 31.935 31.700 0.027 0.000 0.790 135 E N -3.346 116.869 120.200 0.024 0.000 2.160 135 E HA -0.238 4.149 4.350 0.061 0.000 0.195 135 E C 0.760 177.408 176.600 0.079 0.000 0.991 135 E CA 2.610 59.039 56.400 0.048 0.000 0.810 135 E CB -0.567 29.152 29.700 0.032 0.000 0.742 135 E HN 0.402 8.769 8.360 0.016 0.003 0.466 136 D N -3.834 116.571 120.400 0.008 0.000 2.366 136 D HA 0.198 4.791 4.640 -0.078 0.000 0.205 136 D C 1.451 177.767 176.300 0.027 0.000 1.022 136 D CA 1.167 55.139 54.000 -0.047 0.000 0.868 136 D CB 0.712 41.418 40.800 -0.158 0.000 0.953 136 D HN -0.362 7.851 8.370 -0.019 0.146 0.514 137 T N 2.728 117.276 114.554 -0.009 0.000 3.098 137 T HA -0.254 4.020 4.350 -0.126 0.000 0.266 137 T C 0.706 175.435 174.700 0.048 0.000 1.145 137 T CA 3.072 65.144 62.100 -0.048 0.000 1.092 137 T CB -0.565 68.255 68.868 -0.080 0.000 0.908 137 T HN 0.177 8.150 8.240 -0.014 0.258 0.526 138 K N -2.927 117.539 120.400 0.110 0.000 2.400 138 K HA -0.089 4.260 4.320 0.049 0.000 0.194 138 K C 0.510 177.126 176.600 0.027 0.000 1.033 138 K CA 0.626 56.953 56.287 0.066 0.000 1.021 138 K CB -0.034 32.488 32.500 0.036 0.000 0.808 138 K HN -0.686 7.586 8.250 0.155 0.071 0.505 139 H N -2.265 116.799 119.070 -0.010 0.000 2.384 139 H HA -0.127 4.428 4.556 -0.001 0.000 0.300 139 H C 0.953 176.282 175.328 0.002 0.000 1.057 139 H CA 1.629 57.673 56.048 -0.006 0.000 1.370 139 H CB 1.348 31.100 29.762 -0.016 0.000 1.417 139 H HN -0.492 7.813 8.280 0.335 0.176 0.527 140 L N -1.929 119.369 121.223 0.124 0.000 2.499 140 L HA 0.045 4.435 4.340 0.082 0.000 0.281 140 L C -2.153 174.764 176.870 0.077 0.000 1.234 140 L CA -1.870 53.021 54.840 0.085 0.000 0.839 140 L CB -0.995 41.106 42.059 0.070 0.000 1.104 140 L HN -0.843 7.464 8.230 0.127 0.000 0.500 141 P HA 0.000 4.447 4.420 0.045 0.000 0.262 141 P C 0.692 178.035 177.300 0.072 0.000 1.182 141 P CA -0.029 63.109 63.100 0.063 0.000 0.761 141 P CB 0.631 32.369 31.700 0.064 0.000 0.795 142 E N 2.563 122.795 120.200 0.055 0.000 2.267 142 E HA -0.425 3.972 4.350 0.078 0.000 0.197 142 E C 1.563 178.198 176.600 0.058 0.000 0.998 142 E CA 3.445 59.881 56.400 0.059 0.000 0.830 142 E CB -0.737 28.986 29.700 0.038 0.000 0.751 142 E HN 0.428 8.812 8.360 0.040 0.000 0.491 143 D N -4.105 116.323 120.400 0.047 0.000 2.420 143 D HA -0.207 4.449 4.640 0.026 0.000 0.233 143 D C -0.550 175.779 176.300 0.049 0.000 1.017 143 D CA 1.445 55.466 54.000 0.035 0.000 0.951 143 D CB -0.176 40.637 40.800 0.021 0.000 0.877 143 D HN 0.116 8.467 8.370 0.044 0.045 0.528 144 E N -6.566 113.682 120.200 0.080 0.000 3.914 144 E HA 0.107 4.493 4.350 0.060 0.000 0.241 144 E C -1.426 175.278 176.600 0.174 0.000 1.127 144 E CA -0.946 55.515 56.400 0.102 0.000 1.369 144 E CB -0.266 29.512 29.700 0.130 0.000 1.231 144 E HN -0.702 7.548 8.360 0.089 0.164 0.396 145 N N -0.626 118.161 118.700 0.144 0.000 2.461 145 N HA -0.099 4.864 4.740 0.372 0.000 0.188 145 N C -0.999 174.608 175.510 0.162 0.000 1.134 145 N CA 1.526 54.717 53.050 0.235 0.000 0.878 145 N CB 0.718 39.293 38.487 0.147 0.000 0.972 145 N HN -0.359 8.076 8.380 0.092 0.000 0.456 146 T N -5.694 108.816 114.554 -0.074 0.000 2.903 146 T HA 0.464 4.484 4.350 -0.550 0.000 0.299 146 T C -1.876 172.544 174.700 -0.466 0.000 1.093 146 T CA -3.305 58.588 62.100 -0.346 0.000 1.002 146 T CB 1.293 70.072 68.868 -0.150 0.000 1.127 146 T HN -0.891 7.258 8.240 -0.022 0.078 0.488 147 P HA -0.238 3.943 4.420 -0.399 0.000 0.217 147 P C 1.142 178.340 177.300 -0.171 0.000 1.148 147 P CA 2.364 65.237 63.100 -0.379 0.000 0.828 147 P CB 0.103 31.631 31.700 -0.287 0.000 0.783 148 E N -5.558 114.556 120.200 -0.144 0.000 2.285 148 E HA -0.183 4.126 4.350 -0.068 0.000 0.194 148 E C 1.187 177.753 176.600 -0.056 0.000 0.997 148 E CA 2.008 58.360 56.400 -0.081 0.000 0.845 148 E CB -0.820 28.838 29.700 -0.069 0.000 0.782 148 E HN 0.510 8.746 8.360 -0.174 0.020 0.491 149 K N -2.361 118.001 120.400 -0.064 0.000 2.361 149 K HA -0.037 4.331 4.320 -0.016 -0.058 0.196 149 K C 1.151 177.753 176.600 0.003 0.000 1.039 149 K CA 1.234 57.506 56.287 -0.024 0.000 1.001 149 K CB 0.488 32.978 32.500 -0.017 0.000 0.795 149 K HN -0.437 7.598 8.250 -0.104 0.153 0.495 150 R N -1.761 118.739 120.500 -0.001 0.000 2.156 150 R HA -0.036 4.352 4.340 0.080 0.000 0.207 150 R C 1.738 178.093 176.300 0.092 0.000 1.040 150 R CA 1.976 58.115 56.100 0.064 0.000 1.013 150 R CB 0.385 30.741 30.300 0.093 0.000 0.931 150 R HN -0.163 7.936 8.270 -0.053 0.139 0.465 151 A N -0.446 122.414 122.820 0.067 0.000 2.093 151 A HA -0.298 4.120 4.320 0.164 0.000 0.222 151 A C 1.700 179.377 177.584 0.154 0.000 1.162 151 A CA 3.187 55.288 52.037 0.107 0.000 0.655 151 A CB -1.055 17.960 19.000 0.025 0.000 0.805 151 A HN -0.389 7.772 8.150 0.019 0.000 0.461 152 E N -3.776 116.483 120.200 0.098 0.000 2.230 152 E HA -0.199 4.243 4.350 0.153 0.000 0.192 152 E C 1.811 178.452 176.600 0.068 0.000 0.987 152 E CA 2.824 59.283 56.400 0.098 0.000 0.841 152 E CB -0.635 29.089 29.700 0.039 0.000 0.783 152 E HN 0.150 8.496 8.360 0.062 0.051 0.481 153 K N -1.130 119.306 120.400 0.060 0.000 2.007 153 K HA -0.207 4.008 4.320 -0.174 0.000 0.206 153 K C 2.334 178.985 176.600 0.085 0.000 1.047 153 K CA 1.789 58.070 56.287 -0.010 0.000 0.937 153 K CB -0.221 32.331 32.500 0.087 0.000 0.718 153 K HN 0.086 8.209 8.250 0.084 0.178 0.438 154 I N -0.968 119.738 120.570 0.227 0.000 2.110 154 I HA -0.442 3.898 4.170 0.283 0.000 0.236 154 I C 1.294 177.556 176.117 0.242 0.000 1.068 154 I CA 4.140 65.594 61.300 0.257 0.000 1.333 154 I CB -0.209 37.969 38.000 0.296 0.000 1.054 154 I HN -0.348 7.990 8.210 0.214 0.000 0.402 155 W N -0.166 121.233 121.300 0.166 0.000 2.364 155 W HA -0.348 4.551 4.660 0.399 0.000 0.281 155 W C 1.713 178.307 176.519 0.124 0.000 1.219 155 W CA 2.634 60.108 57.345 0.215 0.000 1.220 155 W CB 0.335 29.877 29.460 0.135 0.000 1.127 155 W HN -0.419 8.062 8.180 0.502 0.000 0.556 156 G N -3.494 105.375 108.800 0.114 0.000 2.430 156 G HA2 -0.308 3.644 3.960 -0.013 0.000 0.216 156 G HA3 -0.308 3.695 3.960 -0.122 -0.116 0.216 156 G C 0.394 175.174 174.900 -0.200 0.000 1.146 156 G CA 0.974 46.033 45.100 -0.069 0.000 0.793 156 G HN -0.562 7.619 8.290 0.163 0.207 0.537 157 F N -0.295 119.525 119.950 -0.217 0.000 2.102 157 F HA -0.286 4.104 4.527 -0.229 0.000 0.298 157 F C 1.314 176.886 175.800 -0.381 0.000 1.105 157 F CA 2.469 60.259 58.000 -0.350 0.000 1.239 157 F CB -0.006 38.663 39.000 -0.551 0.000 0.991 157 F HN -0.714 7.388 8.300 -0.098 0.139 0.474 158 F N -2.643 117.285 119.950 -0.036 0.000 2.039 158 F HA -0.200 4.252 4.527 -0.125 0.000 0.294 158 F C 1.629 177.302 175.800 -0.212 0.000 1.130 158 F CA 1.390 59.277 58.000 -0.189 0.000 1.189 158 F CB 0.566 39.334 39.000 -0.386 0.000 0.983 158 F HN -0.727 7.336 8.300 -0.395 0.000 0.471 159 G N -0.647 108.084 108.800 -0.116 0.000 2.980 159 G HA2 -0.348 3.544 3.960 -0.114 0.000 0.255 159 G HA3 -0.348 3.577 3.960 -0.058 0.000 0.255 159 G C -1.325 173.494 174.900 -0.136 0.000 1.020 159 G CA -0.279 44.751 45.100 -0.116 0.000 1.230 159 G HN -0.408 7.741 8.290 -0.234 0.000 0.580 160 K N 2.743 123.012 120.400 -0.220 0.000 2.164 160 K HA 0.357 4.633 4.320 -0.074 0.000 0.258 160 K C -0.787 175.864 176.600 0.084 0.000 0.951 160 K CA -0.996 55.241 56.287 -0.083 0.000 0.844 160 K CB 1.519 33.946 32.500 -0.122 0.000 1.099 160 K HN 0.007 8.042 8.250 -0.357 0.000 0.435 161 K N 2.801 123.247 120.400 0.077 0.000 2.792 161 K HA 0.086 4.478 4.320 0.120 0.000 0.250 161 K C 0.868 177.515 176.600 0.080 0.000 1.844 161 K CA 0.855 57.194 56.287 0.088 0.000 1.005 161 K CB 0.528 33.059 32.500 0.052 0.000 2.199 161 K HN 0.052 8.331 8.250 0.048 0.000 0.360 162 D N -0.251 120.181 120.400 0.053 0.000 2.108 162 D HA -0.248 4.418 4.640 0.044 0.000 0.190 162 D C 0.821 177.154 176.300 0.055 0.000 0.995 162 D CA 2.410 56.437 54.000 0.045 0.000 0.834 162 D CB -0.266 40.552 40.800 0.030 0.000 0.967 162 D HN 0.029 8.424 8.370 0.041 0.000 0.446 163 D N -0.423 120.008 120.400 0.053 0.000 2.639 163 D HA 0.153 4.829 4.640 0.061 0.000 0.233 163 D C -0.432 175.929 176.300 0.101 0.000 1.161 163 D CA -0.371 53.666 54.000 0.061 0.000 1.003 163 D CB -1.571 39.252 40.800 0.038 0.000 1.034 163 D HN 0.128 8.523 8.370 0.042 0.000 0.514 164 D N 0.484 120.971 120.400 0.145 0.000 2.489 164 D HA -0.308 4.533 4.640 0.336 0.000 0.265 164 D C -0.902 175.595 176.300 0.330 0.000 1.305 164 D CA 0.632 54.798 54.000 0.278 0.000 0.963 164 D CB -1.409 39.536 40.800 0.242 0.000 0.984 164 D HN -0.207 8.185 8.370 0.118 0.049 0.492 165 K N -2.469 118.062 120.400 0.218 0.000 2.613 165 K HA 0.597 5.292 4.320 0.309 -0.190 0.248 165 K C -0.837 175.851 176.600 0.147 0.000 0.959 165 K CA -1.971 54.443 56.287 0.212 0.000 0.855 165 K CB 1.379 33.960 32.500 0.135 0.000 1.143 165 K HN -0.088 8.084 8.250 0.148 0.166 0.437 166 L N 6.264 127.584 121.223 0.161 0.000 2.410 166 L HA 0.121 4.441 4.340 -0.034 0.000 0.273 166 L C -0.300 176.674 176.870 0.173 0.000 1.144 166 L CA -0.326 54.548 54.840 0.056 0.000 0.863 166 L CB 1.288 43.309 42.059 -0.063 0.000 1.140 166 L HN -0.004 8.395 8.230 0.281 0.000 0.463 167 T N 1.267 115.847 114.554 0.043 0.000 2.902 167 T HA 0.337 4.838 4.350 -0.020 -0.163 0.280 167 T C 1.178 175.647 174.700 -0.384 0.000 0.992 167 T CA -2.333 59.710 62.100 -0.095 0.000 1.015 167 T CB 2.026 70.825 68.868 -0.114 0.000 1.044 167 T HN -0.096 8.137 8.240 -0.012 0.000 0.520 168 E N 1.917 121.441 120.200 -1.127 0.000 2.338 168 E HA -0.308 3.085 4.350 -1.595 0.000 0.197 168 E C 1.567 177.906 176.600 -0.435 0.000 1.007 168 E CA 3.315 58.866 56.400 -1.415 0.000 0.849 168 E CB -1.134 27.597 29.700 -1.616 0.000 0.774 168 E HN 0.521 8.257 8.360 -1.041 0.000 0.506 169 K N -1.383 118.842 120.400 -0.292 0.000 2.001 169 K HA -0.295 3.957 4.320 -0.115 0.000 0.208 169 K C 1.839 178.400 176.600 -0.064 0.000 1.048 169 K CA 3.476 59.683 56.287 -0.133 0.000 0.932 169 K CB -0.223 32.213 32.500 -0.106 0.000 0.715 169 K HN -0.005 8.002 8.250 -0.329 0.046 0.437 170 E N -1.657 118.506 120.200 -0.061 0.000 2.170 170 E HA -0.148 4.186 4.350 -0.027 0.000 0.191 170 E C 2.090 178.681 176.600 -0.014 0.000 0.981 170 E CA 1.541 57.919 56.400 -0.038 0.000 0.830 170 E CB -0.159 29.503 29.700 -0.064 0.000 0.775 170 E HN -0.872 7.434 8.360 -0.090 0.000 0.470 171 F N 0.480 120.346 119.950 -0.139 0.000 2.271 171 F HA -0.341 4.075 4.527 -0.186 0.000 0.302 171 F C 0.207 176.010 175.800 0.005 0.000 1.063 171 F CA 3.528 61.480 58.000 -0.080 0.000 1.362 171 F CB 0.097 39.146 39.000 0.082 0.000 1.060 171 F HN -0.191 8.156 8.300 0.079 0.000 0.521 172 I N -5.699 114.956 120.570 0.140 0.000 2.731 172 I HA -0.237 4.028 4.170 0.158 0.000 0.260 172 I C 1.680 177.818 176.117 0.036 0.000 1.138 172 I CA 2.318 63.684 61.300 0.110 0.000 1.461 172 I CB 0.551 38.613 38.000 0.103 0.000 1.128 172 I HN -0.863 7.348 8.210 0.112 0.065 0.438 173 E N -0.197 120.012 120.200 0.015 0.000 2.060 173 E HA -0.143 4.214 4.350 0.011 0.000 0.189 173 E C 2.565 179.168 176.600 0.005 0.000 0.974 173 E CA 2.354 58.758 56.400 0.007 0.000 0.808 173 E CB -0.516 29.186 29.700 0.002 0.000 0.768 173 E HN -0.063 8.199 8.360 0.013 0.106 0.453 174 G N -1.388 107.419 108.800 0.012 0.000 2.581 174 G HA2 -0.293 3.719 3.960 0.087 0.000 0.223 174 G HA3 -0.293 3.779 3.960 0.186 0.000 0.223 174 G C 0.570 175.510 174.900 0.067 0.000 1.094 174 G CA 2.415 47.574 45.100 0.097 0.000 0.736 174 G HN 0.562 8.730 8.290 -0.011 0.115 0.588 175 T N -1.923 112.629 114.554 -0.004 0.000 3.039 175 T HA -0.066 4.230 4.350 -0.090 0.000 0.250 175 T C 0.457 175.132 174.700 -0.041 0.000 1.052 175 T CA 1.348 63.418 62.100 -0.051 0.000 1.125 175 T CB 0.396 69.226 68.868 -0.063 0.000 0.908 175 T HN -0.592 7.567 8.240 -0.020 0.069 0.473 176 L N 1.204 122.418 121.223 -0.015 0.000 2.362 176 L HA -0.201 4.135 4.340 -0.007 0.000 0.219 176 L C 0.756 177.612 176.870 -0.023 0.000 1.134 176 L CA 1.316 56.151 54.840 -0.010 0.000 0.807 176 L CB -0.973 41.089 42.059 0.005 0.000 0.927 176 L HN -0.160 7.945 8.230 -0.005 0.123 0.447 177 A N -1.026 121.775 122.820 -0.031 0.000 2.037 177 A HA -0.236 4.071 4.320 -0.023 0.000 0.200 177 A C 0.240 177.792 177.584 -0.053 0.000 1.230 177 A CA 1.919 53.934 52.037 -0.036 0.000 0.695 177 A CB -0.008 18.970 19.000 -0.036 0.000 0.883 177 A HN -0.478 7.607 8.150 -0.028 0.049 0.502 178 N N -0.439 118.210 118.700 -0.086 0.000 2.439 178 N HA -0.020 4.678 4.740 -0.069 0.000 0.243 178 N C 0.646 176.083 175.510 -0.123 0.000 1.088 178 N CA 0.135 53.124 53.050 -0.101 0.000 0.940 178 N CB 0.214 38.621 38.487 -0.132 0.000 1.180 178 N HN 0.235 8.554 8.380 -0.102 0.000 0.505 179 K N 4.722 125.071 120.400 -0.085 0.000 2.444 179 K HA -0.392 3.883 4.320 -0.075 0.000 0.200 179 K C 0.804 177.338 176.600 -0.111 0.000 1.045 179 K CA 2.593 58.831 56.287 -0.081 0.000 0.934 179 K CB -0.249 32.218 32.500 -0.055 0.000 0.756 179 K HN 0.355 8.566 8.250 -0.065 0.000 0.477 180 E N -1.763 118.355 120.200 -0.136 0.000 2.502 180 E HA -0.087 4.188 4.350 -0.125 0.000 0.194 180 E C 1.082 177.522 176.600 -0.266 0.000 1.062 180 E CA 0.344 56.648 56.400 -0.160 0.000 0.867 180 E CB -0.274 29.347 29.700 -0.132 0.000 0.888 180 E HN -0.167 8.022 8.360 -0.128 0.095 0.510 181 I N 0.137 120.521 120.570 -0.311 0.000 2.260 181 I HA -0.320 3.440 4.170 -0.684 0.000 0.237 181 I C 1.283 177.232 176.117 -0.280 0.000 1.075 181 I CA 3.978 65.007 61.300 -0.451 0.000 1.376 181 I CB 0.529 38.259 38.000 -0.450 0.000 1.107 181 I HN 0.624 8.486 8.210 -0.242 0.202 0.420 182 L N -2.442 118.677 121.223 -0.173 0.000 2.369 182 L HA -0.472 3.855 4.340 -0.022 0.000 0.220 182 L C 1.130 177.932 176.870 -0.114 0.000 1.119 182 L CA 3.297 58.087 54.840 -0.083 0.000 0.780 182 L CB -1.511 40.523 42.059 -0.042 0.000 0.906 182 L HN -0.018 8.114 8.230 -0.164 0.000 0.442 183 R N -1.880 118.536 120.500 -0.141 0.000 2.115 183 R HA -0.252 4.008 4.340 -0.134 0.000 0.230 183 R C 1.448 177.693 176.300 -0.092 0.000 1.111 183 R CA 2.685 58.711 56.100 -0.124 0.000 0.976 183 R CB -0.256 29.976 30.300 -0.114 0.000 0.870 183 R HN -0.279 7.816 8.270 -0.164 0.076 0.445 184 L N -3.073 118.091 121.223 -0.098 0.000 2.013 184 L HA -0.169 4.170 4.340 -0.001 0.000 0.204 184 L C 1.851 178.753 176.870 0.053 0.000 1.081 184 L CA 2.305 57.131 54.840 -0.024 0.000 0.751 184 L CB 0.537 42.566 42.059 -0.050 0.000 0.901 184 L HN 0.062 8.060 8.230 -0.162 0.135 0.440 185 I N -6.169 114.450 120.570 0.082 0.000 3.369 185 I HA -0.153 4.206 4.170 0.314 0.000 0.288 185 I C 0.037 176.356 176.117 0.337 0.000 1.321 185 I CA 0.027 61.484 61.300 0.261 0.000 1.358 185 I CB -0.655 37.482 38.000 0.228 0.000 1.038 185 I HN -0.748 7.461 8.210 -0.003 0.000 0.516 186 Q N 0.733 120.593 119.800 0.101 0.000 2.427 186 Q HA -0.300 3.853 4.340 -0.371 -0.035 0.310 186 Q C -0.870 175.121 176.000 -0.014 0.000 1.167 186 Q CA 0.994 56.715 55.803 -0.136 0.000 0.991 186 Q CB 0.345 28.959 28.738 -0.208 0.000 1.287 186 Q HN -0.458 7.652 8.270 0.030 0.178 0.443 187 F N -1.425 118.543 119.950 0.030 0.000 2.810 187 F HA 0.351 4.734 4.527 -0.240 0.000 0.373 187 F C -1.218 174.566 175.800 -0.026 0.000 1.174 187 F CA -2.257 55.700 58.000 -0.071 0.000 1.141 187 F CB -0.623 38.407 39.000 0.051 0.000 1.420 187 F HN 0.026 7.427 8.300 -1.499 0.000 0.518 188 E N 0.000 120.140 120.200 -0.100 0.000 2.725 188 E HA 0.000 4.237 4.350 -0.188 0.000 0.291 188 E CA 0.000 56.355 56.400 -0.076 0.000 0.976 188 E CB 0.000 29.765 29.700 0.108 0.000 0.812 188 E HN 0.000 8.312 8.360 -0.165 -0.051 0.440