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 1qu6_21_A DATA FIRST_RESID 1 DATA SEQUENCE GSHMEMAGDL SAGFFMEELN TYRQKQGVVL KYQELPNSGP PHDRRFTFQV DATA SEQUENCE IIDGREFPEG EGRSKKEAKN AAAKLAVEIL NKEKKAVSPL LLTTTNSSEG DATA SEQUENCE LSMGNYIGLI NRIAQKKRLT VNYEQCASGV HGPEGFHYKC KMGQKEYSIG DATA SEQUENCE TGSTKQEAKQ LAAKLAYLQI LSEETGSGC 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 3.922 3.960 -0.064 0.000 0.244 1 G C 0.000 174.813 174.900 -0.145 0.000 0.946 1 G CA 0.000 45.048 45.100 -0.087 0.000 0.502 2 S N 0.748 116.297 115.700 -0.253 0.000 2.378 2 S HA -0.118 4.164 4.470 -0.312 0.000 0.221 2 S C 0.103 174.423 174.600 -0.468 0.000 1.037 2 S CA 1.268 59.183 58.200 -0.476 0.000 1.069 2 S CB 0.369 63.069 63.200 -0.833 0.000 1.006 2 S HN 0.142 8.316 8.310 -0.226 0.000 0.423 3 H N -3.699 115.347 119.070 -0.040 0.000 2.905 3 H HA 0.118 4.646 4.556 -0.047 0.000 0.280 3 H C -1.142 174.159 175.328 -0.046 0.000 1.445 3 H CA -1.106 54.912 56.048 -0.049 0.000 1.165 3 H CB 0.865 30.586 29.762 -0.069 0.000 1.857 3 H HN -0.522 7.444 8.280 -0.523 0.000 0.567 4 M N -1.052 118.635 119.600 0.145 0.000 1.902 4 M HA -0.096 4.405 4.480 0.036 0.000 0.102 4 M C 0.123 176.453 176.300 0.050 0.000 0.914 4 M CA 1.435 56.766 55.300 0.053 0.000 0.660 4 M CB 0.148 32.752 32.600 0.007 0.000 0.570 4 M HN -0.034 8.338 8.290 0.136 0.000 0.355 5 E N -2.359 117.838 120.200 -0.004 0.000 3.843 5 E HA 0.246 4.595 4.350 -0.002 0.000 0.189 5 E C -1.169 175.394 176.600 -0.062 0.000 1.013 5 E CA -0.191 56.195 56.400 -0.023 0.000 1.395 5 E CB -0.398 29.287 29.700 -0.026 0.000 1.136 5 E HN 0.120 8.468 8.360 -0.020 0.000 0.444 6 M N -2.716 116.828 119.600 -0.094 0.000 2.520 6 M HA 0.414 4.835 4.480 -0.098 0.000 0.283 6 M C -2.399 173.799 176.300 -0.170 0.000 1.237 6 M CA -1.224 54.011 55.300 -0.109 0.000 0.885 6 M CB 2.700 35.251 32.600 -0.081 0.000 1.727 6 M HN -0.471 7.756 8.290 -0.104 0.000 0.468 7 A N -0.380 122.351 122.820 -0.150 0.000 2.444 7 A HA 0.061 4.221 4.320 -0.266 0.000 0.273 7 A C 1.337 178.800 177.584 -0.203 0.000 1.136 7 A CA -0.018 51.906 52.037 -0.189 0.000 0.799 7 A CB -0.127 18.812 19.000 -0.102 0.000 1.081 7 A HN 0.391 8.475 8.150 -0.110 0.000 0.509 8 G N 4.539 113.156 108.800 -0.305 0.000 3.286 8 G HA2 -0.243 3.607 3.960 -0.183 0.000 0.213 8 G HA3 -0.243 3.525 3.960 -0.320 0.000 0.213 8 G C -0.698 174.073 174.900 -0.216 0.000 1.274 8 G CA -0.357 44.586 45.100 -0.263 0.000 1.218 8 G HN 0.622 8.666 8.290 -0.409 0.000 0.504 9 D N -0.631 119.689 120.400 -0.133 0.000 2.411 9 D HA -0.087 4.571 4.640 0.030 0.000 0.251 9 D C -0.189 176.107 176.300 -0.007 0.000 1.201 9 D CA -0.073 53.916 54.000 -0.018 0.000 0.996 9 D CB 1.547 42.368 40.800 0.035 0.000 1.101 9 D HN -0.214 7.888 8.370 -0.130 0.190 0.504 10 L N -6.195 115.044 121.223 0.026 0.000 4.070 10 L HA 0.374 4.716 4.340 0.002 0.000 0.398 10 L C -1.489 175.394 176.870 0.022 0.000 1.215 10 L CA -0.180 54.668 54.840 0.014 0.000 1.332 10 L CB 0.325 42.390 42.059 0.009 0.000 1.499 10 L HN 0.368 8.634 8.230 0.060 0.000 0.613 11 S N 0.826 116.546 115.700 0.033 0.000 2.680 11 S HA 0.160 4.639 4.470 0.015 0.000 0.140 11 S C -0.505 174.109 174.600 0.023 0.000 1.357 11 S CA 0.352 58.567 58.200 0.025 0.000 1.201 11 S CB 0.292 63.509 63.200 0.027 0.000 1.547 11 S HN -0.498 8.272 8.310 0.047 -0.431 0.411 12 A N 5.794 128.622 122.820 0.013 0.000 1.282 12 A HA -0.330 3.985 4.320 -0.007 0.000 0.220 12 A C -0.990 176.599 177.584 0.007 0.000 0.471 12 A CA 1.208 53.246 52.037 0.001 0.000 1.097 12 A CB -0.923 18.073 19.000 -0.006 0.000 1.470 12 A HN 0.606 8.763 8.150 0.010 0.000 0.723 13 G N -4.853 103.969 108.800 0.037 0.000 2.793 13 G HA2 0.296 4.279 3.960 0.070 0.000 0.248 13 G HA3 0.296 4.285 3.960 0.048 0.000 0.248 13 G C -2.622 172.390 174.900 0.188 0.000 1.198 13 G CA 0.077 45.223 45.100 0.077 0.000 0.865 13 G HN -0.552 7.657 8.290 0.040 0.105 0.534 14 F N -1.689 118.278 119.950 0.027 0.000 1.826 14 F HA 0.248 4.776 4.527 0.001 0.000 0.231 14 F C -1.205 174.653 175.800 0.096 0.000 1.252 14 F CA 0.690 58.706 58.000 0.026 0.000 1.294 14 F CB 1.214 40.212 39.000 -0.002 0.000 1.951 14 F HN -0.267 8.171 8.300 0.230 0.000 0.188 15 F N 0.753 120.779 119.950 0.127 0.000 2.451 15 F HA -0.007 4.410 4.527 -0.183 0.000 0.299 15 F C 1.624 177.431 175.800 0.012 0.000 1.101 15 F CA 2.141 60.148 58.000 0.011 0.000 1.436 15 F CB -0.320 38.787 39.000 0.178 0.000 1.074 15 F HN -0.086 8.626 8.300 0.688 0.000 0.553 16 M N -0.442 119.312 119.600 0.256 0.000 2.160 16 M HA -0.221 4.374 4.480 0.192 0.000 0.264 16 M C 1.712 178.059 176.300 0.077 0.000 1.073 16 M CA 3.608 58.998 55.300 0.151 0.000 1.142 16 M CB -0.367 32.265 32.600 0.054 0.000 1.358 16 M HN -0.377 8.087 8.290 0.255 -0.021 0.422 17 E N -1.874 118.340 120.200 0.024 0.000 2.204 17 E HA -0.344 3.995 4.350 -0.018 0.000 0.195 17 E C 1.313 177.893 176.600 -0.035 0.000 0.990 17 E CA 2.939 59.324 56.400 -0.026 0.000 0.821 17 E CB -0.487 29.177 29.700 -0.059 0.000 0.750 17 E HN 0.334 8.710 8.360 0.032 0.002 0.477 18 E N -2.492 117.699 120.200 -0.015 0.000 2.042 18 E HA -0.147 4.193 4.350 -0.017 0.000 0.189 18 E C 2.650 179.334 176.600 0.139 0.000 0.974 18 E CA 1.949 58.367 56.400 0.030 0.000 0.806 18 E CB 0.510 30.214 29.700 0.007 0.000 0.769 18 E HN -0.673 7.543 8.360 0.000 0.144 0.451 19 L N 1.455 122.805 121.223 0.212 0.000 2.042 19 L HA -0.374 4.228 4.340 0.437 0.000 0.210 19 L C 1.256 178.049 176.870 -0.128 0.000 1.076 19 L CA 3.275 58.241 54.840 0.210 0.000 0.749 19 L CB 0.203 42.381 42.059 0.198 0.000 0.893 19 L HN 0.331 8.602 8.230 0.263 0.117 0.432 20 N N -3.490 115.166 118.700 -0.074 0.000 2.443 20 N HA -0.263 4.348 4.740 -0.215 0.000 0.184 20 N C 1.826 177.218 175.510 -0.195 0.000 1.037 20 N CA 2.798 55.758 53.050 -0.150 0.000 0.896 20 N CB 0.017 38.477 38.487 -0.044 0.000 0.959 20 N HN 0.661 8.921 8.380 0.023 0.134 0.442 21 T N 2.164 116.642 114.554 -0.126 0.000 2.668 21 T HA -0.301 4.010 4.350 -0.064 0.000 0.258 21 T C 1.414 176.063 174.700 -0.085 0.000 1.051 21 T CA 4.728 66.787 62.100 -0.068 0.000 1.155 21 T CB 0.311 69.183 68.868 0.006 0.000 0.864 21 T HN -0.329 7.669 8.240 -0.064 0.204 0.413 22 Y N 0.305 120.616 120.300 0.017 0.000 2.165 22 Y HA -0.411 4.145 4.550 0.009 0.000 0.286 22 Y C 1.931 177.838 175.900 0.011 0.000 1.155 22 Y CA 1.825 59.933 58.100 0.013 0.000 1.164 22 Y CB -1.004 37.465 38.460 0.016 0.000 0.978 22 Y HN -0.769 7.590 8.280 0.131 0.000 0.513 23 R N -0.741 119.047 120.500 -1.188 0.000 2.119 23 R HA -0.526 3.555 4.340 -0.431 0.000 0.246 23 R C 1.769 177.950 176.300 -0.199 0.000 1.146 23 R CA 3.611 59.312 56.100 -0.665 0.000 0.962 23 R CB -1.049 28.864 30.300 -0.646 0.000 0.863 23 R HN -0.516 6.618 8.270 -1.884 0.006 0.442 24 Q N -3.174 116.527 119.800 -0.166 0.000 2.224 24 Q HA -0.202 4.102 4.340 -0.061 0.000 0.203 24 Q C 1.330 177.320 176.000 -0.017 0.000 0.970 24 Q CA 2.191 57.953 55.803 -0.068 0.000 0.865 24 Q CB -0.081 28.623 28.738 -0.058 0.000 0.922 24 Q HN -0.414 7.712 8.270 -0.227 0.008 0.445 25 K N -2.283 118.125 120.400 0.014 0.000 2.432 25 K HA -0.154 4.187 4.320 0.034 0.000 0.196 25 K C 0.944 177.587 176.600 0.071 0.000 1.038 25 K CA 1.607 57.927 56.287 0.055 0.000 0.986 25 K CB 0.013 32.569 32.500 0.094 0.000 0.782 25 K HN -0.087 7.979 8.250 -0.001 0.183 0.485 26 Q N -3.143 116.708 119.800 0.085 0.000 2.317 26 Q HA 0.015 4.401 4.340 0.077 0.000 0.220 26 Q C 0.339 176.366 176.000 0.044 0.000 0.873 26 Q CA -0.220 55.636 55.803 0.088 0.000 0.936 26 Q CB 1.323 30.157 28.738 0.160 0.000 1.105 26 Q HN -0.598 7.518 8.270 0.067 0.194 0.520 27 G N 0.359 109.170 108.800 0.019 0.000 2.256 27 G HA2 -0.328 3.629 3.960 -0.006 0.000 0.272 27 G HA3 -0.328 3.637 3.960 0.008 0.000 0.272 27 G C -0.830 174.070 174.900 -0.000 0.000 1.076 27 G CA 0.558 45.660 45.100 0.004 0.000 0.882 27 G HN -0.289 7.892 8.290 0.011 0.116 0.497 28 V N -4.361 115.547 119.914 -0.009 0.000 3.547 28 V HA 0.944 5.059 4.120 -0.008 0.000 0.289 28 V C -1.450 174.620 176.094 -0.039 0.000 1.226 28 V CA -2.424 59.867 62.300 -0.014 0.000 0.966 28 V CB 2.283 34.111 31.823 0.007 0.000 1.255 28 V HN -0.534 7.644 8.190 -0.019 0.000 0.466 29 V N -3.217 116.668 119.914 -0.049 0.000 2.777 29 V HA 0.274 4.364 4.120 -0.050 0.000 0.306 29 V C -1.530 174.522 176.094 -0.070 0.000 1.112 29 V CA -1.689 60.579 62.300 -0.054 0.000 0.917 29 V CB 3.250 35.047 31.823 -0.044 0.000 1.018 29 V HN 0.771 8.875 8.190 -0.048 0.058 0.426 30 L N 4.980 126.174 121.223 -0.048 0.000 2.260 30 L HA 0.105 4.596 4.340 -0.141 -0.235 0.289 30 L C -0.176 176.673 176.870 -0.035 0.000 1.057 30 L CA -0.913 53.893 54.840 -0.056 0.000 0.811 30 L CB 0.619 42.733 42.059 0.092 0.000 1.184 30 L HN 0.158 8.372 8.230 -0.027 0.000 0.429 31 K N 5.009 125.316 120.400 -0.156 0.000 2.404 31 K HA 0.296 4.614 4.320 -0.002 0.000 0.257 31 K C -1.237 175.258 176.600 -0.174 0.000 1.026 31 K CA -2.455 53.769 56.287 -0.105 0.000 0.951 31 K CB -0.280 32.133 32.500 -0.144 0.000 1.203 31 K HN -0.311 7.791 8.250 -0.246 0.000 0.446 32 Y N 4.185 124.452 120.300 -0.056 0.000 2.313 32 Y HA 0.242 4.912 4.550 -0.031 -0.138 0.332 32 Y C 0.312 176.127 175.900 -0.141 0.000 1.071 32 Y CA 0.532 58.600 58.100 -0.053 0.000 1.169 32 Y CB 1.146 39.617 38.460 0.017 0.000 1.192 32 Y HN 0.462 8.911 8.280 0.282 0.000 0.487 33 Q N 5.815 125.544 119.800 -0.118 0.000 2.347 33 Q HA 0.292 4.522 4.340 -0.184 0.000 0.265 33 Q C -1.601 174.087 176.000 -0.521 0.000 1.024 33 Q CA -1.243 54.420 55.803 -0.232 0.000 0.731 33 Q CB 2.731 31.369 28.738 -0.167 0.000 1.245 33 Q HN 0.791 8.981 8.270 -0.132 0.000 0.472 34 E N 4.457 124.250 120.200 -0.678 0.000 2.259 34 E HA -0.032 3.073 4.350 -2.075 0.000 0.281 34 E C -0.786 175.451 176.600 -0.605 0.000 1.037 34 E CA -0.234 55.489 56.400 -1.130 0.000 0.854 34 E CB 0.591 29.779 29.700 -0.853 0.000 1.051 34 E HN 0.311 8.402 8.360 -0.447 0.000 0.409 35 L N 2.919 123.828 121.223 -0.524 0.000 2.502 35 L HA 0.574 4.758 4.340 -0.260 0.000 0.247 35 L C -2.374 174.299 176.870 -0.327 0.000 1.180 35 L CA -3.101 51.561 54.840 -0.297 0.000 0.956 35 L CB -0.510 41.452 42.059 -0.161 0.000 1.282 35 L HN 0.152 8.029 8.230 -0.588 0.000 0.470 36 P HA -0.021 3.753 4.420 -1.078 0.000 0.271 36 P C -0.698 176.539 177.300 -0.105 0.000 1.233 36 P CA -0.420 62.355 63.100 -0.542 0.000 0.789 36 P CB 0.399 31.857 31.700 -0.403 0.000 0.951 37 N N -1.642 117.118 118.700 0.100 0.000 2.580 37 N HA -0.433 4.412 4.740 0.174 0.000 0.301 37 N C -1.892 173.655 175.510 0.062 0.000 1.276 37 N CA 1.297 54.420 53.050 0.122 0.000 0.711 37 N CB -1.965 36.583 38.487 0.102 0.000 0.978 37 N HN 0.094 8.641 8.380 0.278 0.000 0.538 38 S N 0.748 116.495 115.700 0.078 0.000 2.744 38 S HA 0.040 4.529 4.470 0.032 0.000 0.265 38 S C 0.211 174.847 174.600 0.060 0.000 1.065 38 S CA 0.406 58.636 58.200 0.050 0.000 1.191 38 S CB 1.731 64.954 63.200 0.038 0.000 1.150 38 S HN -0.150 8.231 8.310 0.118 0.000 0.646 39 G N 2.566 111.415 108.800 0.083 0.000 2.350 39 G HA2 0.383 4.379 3.960 0.060 0.000 0.306 39 G HA3 0.383 4.514 3.960 0.095 -0.115 0.306 39 G C -1.745 173.195 174.900 0.067 0.000 1.094 39 G CA -2.258 42.888 45.100 0.077 0.000 0.953 39 G HN -0.586 7.767 8.290 0.104 0.000 0.420 40 P HA -0.028 4.409 4.420 0.028 0.000 0.215 40 P C -0.898 176.399 177.300 -0.005 0.000 1.153 40 P CA 1.704 64.815 63.100 0.019 0.000 0.853 40 P CB -1.280 30.421 31.700 0.001 0.000 0.788 41 P HA -0.051 4.205 4.420 -0.274 0.000 0.235 41 P C -1.478 175.727 177.300 -0.158 0.000 1.670 41 P CA -0.209 62.772 63.100 -0.198 0.000 1.017 41 P CB -2.242 29.365 31.700 -0.155 0.000 1.945 42 H N -5.226 113.860 119.070 0.027 0.000 2.767 42 H HA -0.461 4.114 4.556 0.032 0.000 0.309 42 H C -0.701 174.648 175.328 0.035 0.000 1.061 42 H CA -0.271 55.795 56.048 0.030 0.000 1.166 42 H CB -2.412 27.364 29.762 0.023 0.000 1.363 42 H HN 0.564 8.787 8.280 0.017 0.068 0.376 43 D N 1.266 121.887 120.400 0.368 0.000 2.713 43 D HA 0.166 4.932 4.640 0.211 0.000 0.229 43 D C -0.188 176.206 176.300 0.155 0.000 1.136 43 D CA -0.566 53.575 54.000 0.236 0.000 1.010 43 D CB -1.719 39.192 40.800 0.185 0.000 1.084 43 D HN -0.386 8.051 8.370 0.248 0.083 0.495 44 R N 1.087 121.666 120.500 0.132 0.000 4.966 44 R HA -0.304 4.128 4.340 0.153 0.000 0.172 44 R C -0.552 175.855 176.300 0.178 0.000 2.262 44 R CA 0.264 56.450 56.100 0.143 0.000 1.794 44 R CB -2.443 27.923 30.300 0.110 0.000 1.291 44 R HN -0.430 7.855 8.270 0.113 0.053 0.803 45 R N -0.668 119.945 120.500 0.187 0.000 2.697 45 R HA -0.054 4.381 4.340 0.158 0.000 0.262 45 R C -1.558 175.008 176.300 0.443 0.000 1.255 45 R CA -2.020 54.212 56.100 0.220 0.000 1.136 45 R CB 0.270 30.667 30.300 0.163 0.000 1.169 45 R HN 0.474 8.748 8.270 0.164 0.094 0.594 46 F N -2.531 117.477 119.950 0.097 0.000 2.427 46 F HA 0.223 4.855 4.527 0.176 0.000 0.348 46 F C -0.928 175.002 175.800 0.216 0.000 1.125 46 F CA -2.015 56.087 58.000 0.169 0.000 0.989 46 F CB 2.579 41.676 39.000 0.162 0.000 1.165 46 F HN -0.048 8.541 8.300 0.360 -0.073 0.442 47 T N 7.798 122.495 114.554 0.237 0.000 2.743 47 T HA 0.356 4.976 4.350 0.229 -0.132 0.292 47 T C -1.208 173.641 174.700 0.249 0.000 0.972 47 T CA -0.186 62.037 62.100 0.205 0.000 0.967 47 T CB 0.393 69.319 68.868 0.097 0.000 0.926 47 T HN 0.115 8.414 8.240 0.098 0.000 0.459 48 F N 6.863 126.827 119.950 0.025 0.000 2.509 48 F HA 0.487 5.114 4.527 -0.015 -0.109 0.334 48 F C -0.933 174.872 175.800 0.009 0.000 1.060 48 F CA -1.543 56.469 58.000 0.020 0.000 0.997 48 F CB 4.181 43.229 39.000 0.080 0.000 1.271 48 F HN 0.819 9.363 8.300 0.406 0.000 0.488 49 Q N -0.093 119.731 119.800 0.039 0.000 2.315 49 Q HA 0.444 4.943 4.340 0.030 -0.141 0.273 49 Q C -2.450 173.490 176.000 -0.099 0.000 1.053 49 Q CA -1.074 54.719 55.803 -0.016 0.000 0.817 49 Q CB 4.635 33.339 28.738 -0.056 0.000 1.326 49 Q HN 0.166 8.371 8.270 -0.109 0.000 0.423 50 V N 5.564 125.378 119.914 -0.166 0.000 2.752 50 V HA 0.718 4.819 4.120 -0.457 -0.255 0.302 50 V C -2.411 173.483 176.094 -0.333 0.000 1.133 50 V CA -1.120 60.951 62.300 -0.381 0.000 0.919 50 V CB 3.324 34.820 31.823 -0.545 0.000 1.026 50 V HN -0.270 7.854 8.190 -0.110 0.000 0.429 51 I N 4.808 125.159 120.570 -0.364 0.000 3.062 51 I HA 0.222 4.221 4.170 -0.285 0.000 0.316 51 I C 0.277 176.256 176.117 -0.231 0.000 1.041 51 I CA -1.999 59.115 61.300 -0.310 0.000 1.069 51 I CB 2.715 40.493 38.000 -0.371 0.000 1.300 51 I HN 0.124 8.099 8.210 -0.392 0.000 0.518 52 I N -5.504 114.976 120.570 -0.151 0.000 4.197 52 I HA 0.171 4.300 4.170 -0.100 -0.020 0.307 52 I C 0.146 176.226 176.117 -0.062 0.000 1.236 52 I CA 1.607 62.859 61.300 -0.079 0.000 1.321 52 I CB 1.754 39.762 38.000 0.014 0.000 1.309 52 I HN 0.338 8.457 8.210 -0.151 0.000 0.450 53 D N 1.565 121.926 120.400 -0.065 0.000 3.137 53 D HA 0.025 4.731 4.640 -0.038 -0.089 0.236 53 D C -0.252 176.006 176.300 -0.071 0.000 1.557 53 D CA 1.521 55.493 54.000 -0.046 0.000 1.305 53 D CB 1.389 42.180 40.800 -0.016 0.000 1.065 53 D HN -0.213 8.107 8.370 -0.083 0.000 0.290 54 G N -1.866 106.889 108.800 -0.076 0.000 4.990 54 G HA2 0.047 3.918 3.960 -0.148 0.000 0.221 54 G HA3 0.047 3.976 3.960 -0.051 0.000 0.221 54 G C -1.195 173.679 174.900 -0.043 0.000 0.986 54 G CA 0.844 45.892 45.100 -0.087 0.000 1.002 54 G HN 0.096 8.350 8.290 -0.060 0.000 0.531 55 R N -2.311 118.165 120.500 -0.041 0.000 2.688 55 R HA 0.137 4.616 4.340 0.231 0.000 0.236 55 R C -1.636 174.778 176.300 0.189 0.000 0.981 55 R CA -0.103 56.066 56.100 0.115 0.000 1.139 55 R CB 1.369 31.723 30.300 0.089 0.000 1.677 55 R HN -0.072 8.145 8.270 -0.088 0.000 0.554 56 E N 0.065 120.274 120.200 0.014 0.000 2.313 56 E HA 0.077 4.552 4.350 0.208 0.000 0.272 56 E C -0.887 175.674 176.600 -0.064 0.000 1.038 56 E CA -0.757 55.689 56.400 0.075 0.000 0.863 56 E CB 0.291 29.991 29.700 -0.001 0.000 1.060 56 E HN -0.313 8.007 8.360 -0.067 0.000 0.402 57 F N 0.162 120.095 119.950 -0.028 0.000 2.688 57 F HA 0.286 4.787 4.527 -0.043 0.000 0.376 57 F C -1.496 174.287 175.800 -0.028 0.000 1.428 57 F CA -2.799 55.181 58.000 -0.033 0.000 1.156 57 F CB 0.374 39.359 39.000 -0.026 0.000 1.141 57 F HN 0.094 8.597 8.300 0.338 0.000 0.521 58 P HA -0.002 4.453 4.420 0.058 0.000 0.271 58 P C -1.397 175.927 177.300 0.040 0.000 1.238 58 P CA -0.331 62.793 63.100 0.039 0.000 0.794 58 P CB 0.553 32.249 31.700 -0.006 0.000 0.959 59 E N -5.830 114.400 120.200 0.049 0.000 2.389 59 E HA -0.018 4.441 4.350 0.086 -0.057 0.281 59 E C -2.005 174.644 176.600 0.081 0.000 1.111 59 E CA -0.712 55.733 56.400 0.075 0.000 0.869 59 E CB 2.522 32.271 29.700 0.081 0.000 1.259 59 E HN -0.026 8.360 8.360 0.043 0.000 0.434 60 G N -1.948 106.922 108.800 0.116 0.000 2.600 60 G HA2 0.224 4.230 3.960 0.077 0.000 0.293 60 G HA3 0.224 4.228 3.960 0.073 0.000 0.293 60 G C -2.959 172.017 174.900 0.128 0.000 1.408 60 G CA 0.102 45.259 45.100 0.095 0.000 0.782 60 G HN -0.302 8.087 8.290 0.166 0.000 0.482 61 E N -2.403 117.857 120.200 0.100 0.000 2.369 61 E HA 1.020 5.696 4.350 0.180 -0.218 0.270 61 E C -0.977 175.669 176.600 0.077 0.000 0.909 61 E CA -2.589 53.886 56.400 0.124 0.000 0.775 61 E CB 3.296 33.068 29.700 0.121 0.000 1.270 61 E HN -0.064 8.340 8.360 0.074 0.000 0.445 62 G N -1.023 107.829 108.800 0.087 0.000 4.490 62 G HA2 0.069 4.041 3.960 0.020 0.000 0.233 62 G HA3 0.069 4.153 3.960 -0.019 -0.135 0.233 62 G C -1.588 173.312 174.900 -0.000 0.000 1.027 62 G CA 0.309 45.422 45.100 0.021 0.000 0.829 62 G HN 0.072 8.460 8.290 0.162 0.000 0.343 63 R N -2.446 118.089 120.500 0.058 0.000 4.047 63 R HA -0.395 4.011 4.340 0.035 -0.045 0.412 63 R C -1.551 174.500 176.300 -0.415 0.000 0.241 63 R CA 0.505 56.572 56.100 -0.055 0.000 1.313 63 R CB -0.058 30.189 30.300 -0.088 0.000 1.148 63 R HN -0.552 7.849 8.270 0.151 -0.040 0.488 64 S N 1.486 116.736 115.700 -0.749 0.000 2.700 64 S HA 0.064 2.217 4.470 -3.861 0.000 0.321 64 S C -0.687 173.445 174.600 -0.780 0.000 1.161 64 S CA 0.521 57.757 58.200 -1.608 0.000 1.078 64 S CB -0.772 61.852 63.200 -0.958 0.000 1.302 64 S HN 0.182 8.238 8.310 -0.424 0.000 0.540 65 K N 3.570 123.606 120.400 -0.607 0.000 4.520 65 K HA 0.080 4.283 4.320 -0.195 0.000 0.580 65 K C -0.210 176.296 176.600 -0.156 0.000 0.983 65 K CA -0.496 55.638 56.287 -0.255 0.000 0.898 65 K CB 0.796 33.178 32.500 -0.198 0.000 1.717 65 K HN -0.459 7.358 8.250 -0.721 0.000 0.761 66 K N 0.474 120.805 120.400 -0.116 0.000 2.009 66 K HA -0.383 3.884 4.320 -0.088 0.000 0.210 66 K C 1.408 177.936 176.600 -0.119 0.000 1.049 66 K CA 3.262 59.489 56.287 -0.102 0.000 0.929 66 K CB -0.760 31.684 32.500 -0.093 0.000 0.714 66 K HN 0.652 8.836 8.250 -0.111 0.000 0.440 67 E N -0.329 119.813 120.200 -0.097 0.000 2.339 67 E HA -0.330 3.997 4.350 -0.040 0.000 0.201 67 E C 1.744 178.271 176.600 -0.120 0.000 1.015 67 E CA 1.949 58.307 56.400 -0.070 0.000 0.841 67 E CB -1.311 28.367 29.700 -0.036 0.000 0.754 67 E HN 0.273 8.577 8.360 -0.093 0.000 0.508 68 A N 0.735 123.435 122.820 -0.200 0.000 1.832 68 A HA -0.243 3.950 4.320 -0.212 0.000 0.214 68 A C 1.357 178.466 177.584 -0.790 0.000 1.242 68 A CA 2.976 54.782 52.037 -0.386 0.000 0.603 68 A CB -0.131 18.725 19.000 -0.239 0.000 0.902 68 A HN -0.299 7.545 8.150 -0.180 0.197 0.455 69 K N -1.632 118.198 120.400 -0.950 0.000 2.103 69 K HA -0.416 3.431 4.320 -0.789 0.000 0.207 69 K C 2.291 178.809 176.600 -0.137 0.000 1.048 69 K CA 3.146 59.079 56.287 -0.589 0.000 0.930 69 K CB -0.740 31.661 32.500 -0.165 0.000 0.716 69 K HN -0.363 7.465 8.250 -0.704 0.000 0.444 70 N N -0.304 118.330 118.700 -0.109 0.000 2.142 70 N HA -0.347 4.440 4.740 0.078 0.000 0.186 70 N C 1.645 177.148 175.510 -0.012 0.000 1.023 70 N CA 3.976 57.035 53.050 0.014 0.000 0.852 70 N CB 0.050 38.565 38.487 0.046 0.000 0.998 70 N HN 0.447 8.611 8.380 -0.162 0.118 0.424 71 A N 0.419 123.207 122.820 -0.052 0.000 1.902 71 A HA -0.389 3.916 4.320 -0.025 0.000 0.217 71 A C 1.347 178.926 177.584 -0.007 0.000 1.181 71 A CA 3.190 55.209 52.037 -0.030 0.000 0.623 71 A CB -0.760 18.225 19.000 -0.024 0.000 0.818 71 A HN -0.161 7.727 8.150 -0.101 0.201 0.443 72 A N -1.582 121.256 122.820 0.030 0.000 1.865 72 A HA -0.406 3.977 4.320 0.106 0.000 0.217 72 A C 1.653 179.295 177.584 0.095 0.000 1.191 72 A CA 2.993 55.111 52.037 0.134 0.000 0.623 72 A CB -0.457 18.774 19.000 0.384 0.000 0.826 72 A HN -0.029 8.092 8.150 -0.048 0.000 0.444 73 A N -2.632 120.287 122.820 0.166 0.000 1.929 73 A HA -0.260 4.142 4.320 0.136 0.000 0.216 73 A C 1.613 179.110 177.584 -0.146 0.000 1.176 73 A CA 2.563 54.670 52.037 0.116 0.000 0.628 73 A CB -0.520 18.613 19.000 0.221 0.000 0.816 73 A HN 0.017 8.289 8.150 0.203 0.000 0.444 74 K N -0.634 119.620 120.400 -0.243 0.000 1.978 74 K HA -0.278 3.393 4.320 -1.082 0.000 0.214 74 K C 2.300 178.729 176.600 -0.286 0.000 1.049 74 K CA 3.276 59.265 56.287 -0.496 0.000 0.939 74 K CB 0.180 32.516 32.500 -0.274 0.000 0.721 74 K HN 0.256 8.239 8.250 -0.118 0.195 0.441 75 L N -5.568 115.575 121.223 -0.134 0.000 2.191 75 L HA -0.115 4.355 4.340 -0.074 -0.175 0.212 75 L C 1.805 178.634 176.870 -0.069 0.000 1.103 75 L CA 2.827 57.622 54.840 -0.076 0.000 0.769 75 L CB -0.687 41.355 42.059 -0.029 0.000 0.908 75 L HN -0.116 7.952 8.230 -0.098 0.104 0.438 76 A N -1.653 121.125 122.820 -0.070 0.000 1.933 76 A HA -0.326 3.977 4.320 -0.028 0.000 0.218 76 A C 2.398 179.965 177.584 -0.029 0.000 1.175 76 A CA 2.669 54.685 52.037 -0.035 0.000 0.628 76 A CB -0.681 18.307 19.000 -0.020 0.000 0.814 76 A HN -0.548 7.436 8.150 -0.080 0.119 0.444 77 V N -0.876 118.993 119.914 -0.075 0.000 2.343 77 V HA -0.579 3.520 4.120 -0.035 0.000 0.247 77 V C 1.603 177.649 176.094 -0.081 0.000 1.051 77 V CA 4.523 66.781 62.300 -0.071 0.000 1.036 77 V CB -0.182 31.573 31.823 -0.114 0.000 0.654 77 V HN -0.504 7.484 8.190 -0.145 0.115 0.451 78 E N -1.230 118.927 120.200 -0.071 0.000 2.333 78 E HA -0.324 4.003 4.350 -0.038 0.000 0.198 78 E C 2.546 179.118 176.600 -0.046 0.000 1.007 78 E CA 2.492 58.864 56.400 -0.047 0.000 0.845 78 E CB -0.513 29.167 29.700 -0.034 0.000 0.766 78 E HN -0.627 7.582 8.360 -0.090 0.097 0.507 79 I N -1.148 119.391 120.570 -0.051 0.000 2.206 79 I HA -0.363 3.789 4.170 -0.030 0.000 0.239 79 I C 1.721 177.797 176.117 -0.069 0.000 1.078 79 I CA 3.294 64.568 61.300 -0.043 0.000 1.367 79 I CB 0.094 38.078 38.000 -0.027 0.000 1.078 79 I HN -0.423 7.563 8.210 -0.053 0.193 0.413 80 L N -4.469 116.682 121.223 -0.120 0.000 2.083 80 L HA -0.259 4.005 4.340 -0.125 0.000 0.209 80 L C 1.991 178.777 176.870 -0.139 0.000 1.083 80 L CA 2.766 57.501 54.840 -0.174 0.000 0.752 80 L CB -0.595 41.233 42.059 -0.386 0.000 0.899 80 L HN -0.560 7.593 8.230 -0.129 0.000 0.433 81 N N -0.990 117.636 118.700 -0.124 0.000 2.094 81 N HA -0.282 4.408 4.740 -0.084 0.000 0.191 81 N C 0.637 176.115 175.510 -0.054 0.000 1.023 81 N CA 2.482 55.485 53.050 -0.078 0.000 0.857 81 N CB -0.005 38.452 38.487 -0.050 0.000 1.013 81 N HN -0.295 7.997 8.380 -0.133 0.008 0.426 82 K N -1.524 118.848 120.400 -0.048 0.000 3.098 82 K HA -0.093 4.212 4.320 -0.025 0.000 0.297 82 K C -0.359 176.221 176.600 -0.034 0.000 1.088 82 K CA 0.347 56.615 56.287 -0.032 0.000 1.451 82 K CB 0.278 32.764 32.500 -0.023 0.000 1.804 82 K HN -0.827 7.280 8.250 -0.054 0.111 0.594 83 E N -6.649 113.536 120.200 -0.026 0.000 3.208 83 E HA -0.350 3.991 4.350 -0.016 0.000 0.277 83 E C 0.467 177.053 176.600 -0.023 0.000 0.989 83 E CA 1.858 58.244 56.400 -0.023 0.000 0.850 83 E CB -1.063 28.619 29.700 -0.030 0.000 1.429 83 E HN 0.332 8.679 8.360 -0.020 0.000 0.463 84 K N -4.003 116.383 120.400 -0.023 0.000 2.366 84 K HA -0.231 4.076 4.320 -0.022 0.000 0.198 84 K C -0.042 176.550 176.600 -0.014 0.000 1.044 84 K CA 1.054 57.329 56.287 -0.020 0.000 0.973 84 K CB 0.150 32.638 32.500 -0.020 0.000 0.767 84 K HN -0.026 8.060 8.250 -0.024 0.150 0.475 85 K N -1.686 118.707 120.400 -0.012 0.000 2.120 85 K HA 0.036 4.351 4.320 -0.008 0.000 0.245 85 K C -0.776 175.819 176.600 -0.007 0.000 1.024 85 K CA -1.051 55.231 56.287 -0.008 0.000 0.906 85 K CB 0.720 33.216 32.500 -0.007 0.000 1.051 85 K HN -0.630 7.564 8.250 -0.013 0.048 0.491 86 A N 1.161 123.978 122.820 -0.006 0.000 2.666 86 A HA 0.023 4.340 4.320 -0.006 0.000 0.301 86 A C -0.174 177.408 177.584 -0.004 0.000 1.470 86 A CA 0.546 52.580 52.037 -0.005 0.000 1.159 86 A CB -1.443 17.554 19.000 -0.004 0.000 1.116 86 A HN 0.196 8.342 8.150 -0.005 0.000 0.548 87 V N -1.225 118.686 119.914 -0.004 0.000 3.604 87 V HA 0.242 4.361 4.120 -0.002 0.000 0.277 87 V C 0.072 176.165 176.094 -0.001 0.000 1.399 87 V CA -0.171 62.127 62.300 -0.003 0.000 1.034 87 V CB 0.772 32.594 31.823 -0.003 0.000 0.824 87 V HN -0.406 7.781 8.190 -0.005 0.000 0.439 88 S N 3.487 119.186 115.700 -0.002 0.000 2.548 88 S HA 0.220 4.691 4.470 0.000 0.000 0.277 88 S C -1.326 173.274 174.600 -0.001 0.000 1.315 88 S CA -0.858 57.341 58.200 -0.001 0.000 1.050 88 S CB 0.425 63.624 63.200 -0.001 0.000 0.918 88 S HN -0.184 8.124 8.310 -0.003 0.000 0.497 89 P HA -0.123 4.297 4.420 -0.001 0.000 0.296 89 P C -1.515 175.785 177.300 -0.001 0.000 1.358 89 P CA -0.144 62.956 63.100 -0.000 0.000 0.876 89 P CB 0.422 32.122 31.700 0.000 0.000 1.471 90 L N -4.235 116.987 121.223 -0.001 0.000 2.426 90 L HA 0.032 4.370 4.340 -0.002 0.000 0.271 90 L C 0.298 177.167 176.870 -0.002 0.000 1.169 90 L CA -0.351 54.488 54.840 -0.002 0.000 0.836 90 L CB -0.155 41.903 42.059 -0.002 0.000 1.112 90 L HN -0.311 7.918 8.230 -0.001 0.000 0.465 91 L N 2.083 123.305 121.223 -0.002 0.000 2.433 91 L HA 0.012 4.351 4.340 -0.001 0.000 0.284 91 L C -0.080 176.788 176.870 -0.002 0.000 1.120 91 L CA 0.081 54.919 54.840 -0.002 0.000 0.879 91 L CB -0.551 41.507 42.059 -0.003 0.000 1.232 91 L HN 0.218 8.446 8.230 -0.003 0.000 0.454 92 L N 8.579 129.801 121.223 -0.002 0.000 2.437 92 L HA 0.114 4.452 4.340 -0.003 0.000 0.243 92 L C 0.372 177.240 176.870 -0.002 0.000 1.346 92 L CA -0.366 54.473 54.840 -0.002 0.000 1.233 92 L CB -3.453 38.605 42.059 -0.001 0.000 1.436 92 L HN 0.448 8.678 8.230 -0.001 0.000 0.416 93 T N 0.076 114.629 114.554 -0.002 0.000 2.969 93 T HA 0.203 4.552 4.350 -0.002 0.000 0.250 93 T C 0.803 175.501 174.700 -0.004 0.000 1.021 93 T CA 0.557 62.655 62.100 -0.002 0.000 1.003 93 T CB 1.290 70.157 68.868 -0.002 0.000 1.040 93 T HN 0.014 8.189 8.240 -0.003 0.063 0.492 94 T N 1.221 115.773 114.554 -0.004 0.000 3.228 94 T HA 0.312 4.658 4.350 -0.006 0.000 0.278 94 T C 0.159 174.855 174.700 -0.006 0.000 1.014 94 T CA -0.762 61.334 62.100 -0.006 0.000 0.904 94 T CB 0.158 69.021 68.868 -0.007 0.000 1.110 94 T HN -0.655 7.583 8.240 -0.004 0.000 0.541 95 T N -1.489 113.062 114.554 -0.005 0.000 3.088 95 T HA -0.022 4.324 4.350 -0.006 0.000 0.259 95 T C 0.482 175.179 174.700 -0.005 0.000 1.122 95 T CA 1.004 63.101 62.100 -0.005 0.000 1.095 95 T CB 0.518 69.384 68.868 -0.004 0.000 0.930 95 T HN -0.261 7.906 8.240 -0.004 0.070 0.508 96 N N 0.725 119.423 118.700 -0.005 0.000 2.092 96 N HA -0.131 4.606 4.740 -0.004 0.000 0.189 96 N C 0.498 176.004 175.510 -0.006 0.000 1.040 96 N CA 1.775 54.822 53.050 -0.005 0.000 0.845 96 N CB 0.123 38.608 38.487 -0.004 0.000 1.017 96 N HN -0.338 7.973 8.380 -0.005 0.066 0.426 97 S N -2.522 113.174 115.700 -0.007 0.000 3.155 97 S HA -0.449 4.016 4.470 -0.009 0.000 0.356 97 S C -0.780 173.814 174.600 -0.010 0.000 1.181 97 S CA 1.247 59.441 58.200 -0.009 0.000 1.001 97 S CB -0.471 62.722 63.200 -0.012 0.000 0.944 97 S HN 0.316 8.569 8.310 -0.006 0.053 0.597 98 S N -1.068 114.628 115.700 -0.007 0.000 4.159 98 S HA -0.427 4.039 4.470 -0.005 0.000 0.538 98 S C 0.737 175.332 174.600 -0.008 0.000 1.759 98 S CA 3.045 61.241 58.200 -0.007 0.000 4.135 98 S CB -1.170 62.026 63.200 -0.007 0.000 0.922 98 S HN 0.221 8.429 8.310 -0.006 0.098 0.455 99 E N 2.519 122.712 120.200 -0.011 0.000 3.280 99 E HA -0.033 4.310 4.350 -0.011 0.000 0.487 99 E C 0.742 177.331 176.600 -0.018 0.000 0.261 99 E CA 0.637 57.029 56.400 -0.014 0.000 2.810 99 E CB 0.011 29.701 29.700 -0.016 0.000 2.284 99 E HN -0.011 8.349 8.360 -0.011 -0.006 0.409 100 G N -3.489 105.295 108.800 -0.025 0.000 4.211 100 G HA2 -0.091 3.852 3.960 -0.027 0.000 0.192 100 G HA3 -0.091 3.848 3.960 -0.034 0.000 0.192 100 G C -0.621 174.254 174.900 -0.042 0.000 0.951 100 G CA 0.113 45.194 45.100 -0.032 0.000 0.804 100 G HN 0.201 8.475 8.290 -0.027 0.000 0.489 101 L N -1.892 119.307 121.223 -0.041 0.000 3.983 101 L HA -0.411 3.902 4.340 -0.045 0.000 0.453 101 L C -0.299 176.529 176.870 -0.069 0.000 1.119 101 L CA 0.772 55.583 54.840 -0.048 0.000 0.924 101 L CB -0.427 41.610 42.059 -0.038 0.000 1.831 101 L HN -0.174 8.036 8.230 -0.034 0.000 1.001 102 S N -1.790 113.858 115.700 -0.086 0.000 2.648 102 S HA 0.120 4.510 4.470 -0.133 0.000 0.270 102 S C 0.268 174.758 174.600 -0.183 0.000 1.080 102 S CA 0.527 58.652 58.200 -0.125 0.000 1.159 102 S CB 0.821 63.959 63.200 -0.103 0.000 1.091 102 S HN -0.197 8.033 8.310 -0.075 0.034 0.605 103 M N 0.972 120.488 119.600 -0.140 0.000 2.199 103 M HA -0.330 4.102 4.480 -0.080 0.000 0.197 103 M C 0.137 176.294 176.300 -0.239 0.000 0.295 103 M CA 0.329 55.537 55.300 -0.153 0.000 0.384 103 M CB -2.872 29.634 32.600 -0.157 0.000 1.159 103 M HN 0.122 8.355 8.290 -0.096 0.000 0.932 104 G N -4.175 104.517 108.800 -0.180 0.000 2.291 104 G HA2 -0.530 3.345 3.960 -0.141 0.000 0.287 104 G HA3 -0.530 3.374 3.960 -0.093 0.000 0.287 104 G C -0.313 174.372 174.900 -0.358 0.000 0.998 104 G CA 0.544 45.538 45.100 -0.175 0.000 0.728 104 G HN 0.230 8.420 8.290 -0.134 0.019 0.519 105 N N -0.691 117.663 118.700 -0.576 0.000 1.217 105 N HA -0.431 3.427 4.740 -1.470 0.000 0.100 105 N C -1.116 173.684 175.510 -1.183 0.000 0.664 105 N CA 2.082 54.522 53.050 -1.017 0.000 0.825 105 N CB -0.598 37.594 38.487 -0.492 0.000 1.035 105 N HN 0.246 8.147 8.380 -0.453 0.208 0.751 106 Y N -8.451 111.792 120.300 -0.095 0.000 2.873 106 Y HA -0.082 4.344 4.550 -0.206 0.000 0.181 106 Y C 0.249 176.127 175.900 -0.036 0.000 0.982 106 Y CA 0.415 58.467 58.100 -0.081 0.000 1.663 106 Y CB -0.001 38.475 38.460 0.028 0.000 1.298 106 Y HN -0.263 7.837 8.280 -0.400 -0.060 0.350 107 I N 1.883 122.664 120.570 0.353 0.000 2.454 107 I HA -0.464 3.846 4.170 0.233 0.000 0.254 107 I C 1.437 177.589 176.117 0.060 0.000 1.156 107 I CA 3.200 64.545 61.300 0.076 0.000 1.433 107 I CB -0.267 37.586 38.000 -0.246 0.000 1.082 107 I HN -0.145 8.530 8.210 0.774 0.000 0.432 108 G N -1.000 107.794 108.800 -0.009 0.000 2.447 108 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.211 108 G HA3 -0.233 3.677 3.960 -0.083 0.000 0.211 108 G C 0.964 175.832 174.900 -0.053 0.000 1.184 108 G CA 0.988 46.065 45.100 -0.039 0.000 0.813 108 G HN 0.103 8.413 8.290 -0.032 -0.040 0.540 109 L N -1.590 119.552 121.223 -0.135 0.000 2.362 109 L HA -0.124 4.140 4.340 -0.127 0.000 0.219 109 L C 1.249 178.027 176.870 -0.153 0.000 1.134 109 L CA 1.507 56.240 54.840 -0.179 0.000 0.807 109 L CB -0.407 41.468 42.059 -0.307 0.000 0.927 109 L HN -0.665 7.456 8.230 -0.182 0.000 0.447 110 I N -0.531 119.989 120.570 -0.083 0.000 2.315 110 I HA -0.565 3.588 4.170 -0.028 0.000 0.248 110 I C 0.401 176.543 176.117 0.043 0.000 1.117 110 I CA 3.410 64.718 61.300 0.013 0.000 1.404 110 I CB 0.063 38.156 38.000 0.155 0.000 1.071 110 I HN 0.059 8.203 8.210 -0.045 0.039 0.419 111 N N -1.800 116.944 118.700 0.073 0.000 2.443 111 N HA -0.294 4.478 4.740 0.054 0.000 0.184 111 N C 1.868 177.388 175.510 0.017 0.000 1.037 111 N CA 2.857 55.943 53.050 0.060 0.000 0.896 111 N CB -0.424 38.116 38.487 0.089 0.000 0.959 111 N HN -0.421 7.919 8.380 0.096 0.097 0.442 112 R N -0.100 120.396 120.500 -0.006 0.000 2.055 112 R HA -0.177 4.157 4.340 -0.010 0.000 0.226 112 R C 2.204 178.501 176.300 -0.005 0.000 1.135 112 R CA 3.187 59.278 56.100 -0.016 0.000 0.959 112 R CB 0.258 30.534 30.300 -0.040 0.000 0.854 112 R HN -0.448 7.677 8.270 -0.020 0.132 0.431 113 I N -2.734 117.835 120.570 -0.001 0.000 2.567 113 I HA -0.385 3.797 4.170 0.019 0.000 0.257 113 I C 1.466 177.594 176.117 0.018 0.000 1.184 113 I CA 2.898 64.211 61.300 0.021 0.000 1.451 113 I CB -0.964 37.070 38.000 0.056 0.000 1.089 113 I HN -0.516 7.684 8.210 -0.017 0.000 0.441 114 A N 1.157 123.984 122.820 0.012 0.000 1.828 114 A HA -0.303 4.016 4.320 -0.002 0.000 0.215 114 A C 2.101 179.683 177.584 -0.003 0.000 1.203 114 A CA 2.881 54.918 52.037 -0.001 0.000 0.614 114 A CB -0.359 18.635 19.000 -0.009 0.000 0.844 114 A HN -0.013 8.018 8.150 0.013 0.127 0.445 115 Q N -2.624 117.174 119.800 -0.002 0.000 2.364 115 Q HA -0.262 4.074 4.340 -0.006 0.000 0.207 115 Q C 2.450 178.449 176.000 -0.001 0.000 0.970 115 Q CA 2.284 58.085 55.803 -0.003 0.000 0.888 115 Q CB -0.457 28.280 28.738 -0.002 0.000 0.951 115 Q HN -0.479 7.791 8.270 0.000 0.000 0.469 116 K N 1.570 121.971 120.400 0.002 0.000 1.975 116 K HA -0.220 4.102 4.320 0.002 0.000 0.210 116 K C 0.828 177.430 176.600 0.005 0.000 1.041 116 K CA 2.820 59.109 56.287 0.004 0.000 0.942 116 K CB 0.373 32.878 32.500 0.008 0.000 0.729 116 K HN -0.020 8.079 8.250 0.003 0.153 0.439 117 K N -3.438 116.967 120.400 0.007 0.000 2.708 117 K HA 0.024 4.347 4.320 0.005 0.000 0.219 117 K C -1.076 175.525 176.600 0.000 0.000 1.068 117 K CA -0.956 55.335 56.287 0.006 0.000 1.212 117 K CB -1.027 31.480 32.500 0.012 0.000 0.978 117 K HN -0.469 7.787 8.250 0.011 0.000 0.475 118 R N -2.299 118.200 120.500 -0.003 0.000 2.039 118 R HA -0.488 3.882 4.340 -0.009 -0.035 0.308 118 R C -2.118 174.174 176.300 -0.014 0.000 1.157 118 R CA 0.641 56.736 56.100 -0.008 0.000 1.130 118 R CB -2.491 27.804 30.300 -0.008 0.000 3.108 118 R HN -0.613 7.421 8.270 -0.001 0.235 0.505 119 L N 0.974 122.185 121.223 -0.021 0.000 2.669 119 L HA 0.300 4.619 4.340 -0.034 0.000 0.255 119 L C -0.884 175.955 176.870 -0.051 0.000 1.123 119 L CA -2.187 52.632 54.840 -0.034 0.000 0.941 119 L CB 3.802 45.843 42.059 -0.029 0.000 1.552 119 L HN -0.094 8.046 8.230 -0.019 0.078 0.394 120 T N 2.776 117.284 114.554 -0.077 0.000 2.799 120 T HA 0.185 4.483 4.350 -0.087 0.000 0.286 120 T C -1.727 172.887 174.700 -0.144 0.000 0.973 120 T CA 0.259 62.295 62.100 -0.107 0.000 1.035 120 T CB 1.075 69.862 68.868 -0.135 0.000 0.932 120 T HN -0.064 8.015 8.240 -0.080 0.113 0.469 121 V N 6.605 126.426 119.914 -0.155 0.000 2.419 121 V HA 0.394 4.484 4.120 -0.296 -0.147 0.287 121 V C -2.092 173.780 176.094 -0.368 0.000 1.017 121 V CA -1.328 60.825 62.300 -0.246 0.000 0.844 121 V CB 2.577 34.327 31.823 -0.122 0.000 1.011 121 V HN 0.318 8.437 8.190 -0.120 0.000 0.429 122 N N 8.346 126.689 118.700 -0.594 0.000 2.591 122 N HA 0.202 4.697 4.740 -0.408 0.000 0.263 122 N C -2.715 172.346 175.510 -0.749 0.000 1.308 122 N CA -0.688 52.042 53.050 -0.533 0.000 0.837 122 N CB 3.681 42.048 38.487 -0.199 0.000 1.548 122 N HN -0.236 7.791 8.380 -0.589 0.000 0.493 123 Y N -1.695 118.633 120.300 0.047 0.000 2.346 123 Y HA 0.313 4.921 4.550 0.097 0.000 0.332 123 Y C -0.932 174.998 175.900 0.049 0.000 0.985 123 Y CA -1.356 56.787 58.100 0.072 0.000 1.112 123 Y CB 1.535 40.045 38.460 0.083 0.000 1.170 123 Y HN 0.201 8.632 8.280 0.250 0.000 0.447 124 E N 2.952 123.254 120.200 0.170 0.000 2.450 124 E HA 0.332 4.709 4.350 0.046 0.000 0.248 124 E C -1.788 174.755 176.600 -0.095 0.000 0.930 124 E CA -1.877 54.557 56.400 0.057 0.000 0.854 124 E CB 3.521 33.270 29.700 0.081 0.000 1.355 124 E HN 0.669 9.143 8.360 0.189 0.000 0.402 125 Q N -3.293 116.377 119.800 -0.217 0.000 2.518 125 Q HA 0.156 4.294 4.340 -0.463 -0.076 0.254 125 Q C -1.709 174.107 176.000 -0.306 0.000 0.962 125 Q CA 0.005 55.466 55.803 -0.569 0.000 0.982 125 Q CB 1.986 29.814 28.738 -1.517 0.000 1.516 125 Q HN 0.202 8.396 8.270 -0.126 0.000 0.426 126 C N 4.909 124.149 119.300 -0.100 0.000 2.621 126 C HA 0.184 4.633 4.460 -0.018 0.000 0.272 126 C C -1.041 174.039 174.990 0.149 0.000 1.119 126 C CA -1.968 57.076 59.018 0.043 0.000 1.593 126 C CB 0.186 27.978 27.740 0.087 0.000 1.749 126 C HN 0.533 8.752 8.230 -0.019 0.000 0.420 127 A N 4.761 127.677 122.820 0.161 0.000 2.566 127 A HA -0.130 4.571 4.320 0.533 -0.061 0.245 127 A C -0.036 177.574 177.584 0.045 0.000 1.056 127 A CA 0.607 52.825 52.037 0.301 0.000 0.757 127 A CB 0.208 19.456 19.000 0.414 0.000 0.979 127 A HN 0.316 8.508 8.150 0.071 0.000 0.508 128 S N 5.429 121.093 115.700 -0.060 0.000 3.324 128 S HA -0.010 4.398 4.470 -0.104 0.000 0.229 128 S C 0.576 174.996 174.600 -0.299 0.000 1.417 128 S CA -0.386 57.726 58.200 -0.147 0.000 1.211 128 S CB -1.277 61.867 63.200 -0.093 0.000 1.157 128 S HN 0.176 8.551 8.310 -0.021 -0.077 0.491 129 G N 2.463 111.093 108.800 -0.284 0.000 3.356 129 G HA2 -0.090 3.620 3.960 -0.416 0.000 0.239 129 G HA3 -0.090 3.757 3.960 -0.188 0.000 0.239 129 G C -0.440 174.358 174.900 -0.170 0.000 1.252 129 G CA -0.345 44.589 45.100 -0.276 0.000 1.611 129 G HN -0.222 7.871 8.290 -0.181 0.088 0.580 130 V N 1.358 121.152 119.914 -0.201 0.000 2.271 130 V HA -0.338 3.654 4.120 -0.213 0.000 0.221 130 V C 0.941 176.929 176.094 -0.178 0.000 0.991 130 V CA 1.686 63.837 62.300 -0.248 0.000 1.008 130 V CB -0.010 31.591 31.823 -0.370 0.000 0.653 130 V HN -0.146 7.774 8.190 -0.226 0.135 0.473 131 H N 0.116 119.149 119.070 -0.062 0.000 2.272 131 H HA -0.108 4.427 4.556 -0.035 0.000 0.320 131 H C 0.235 175.535 175.328 -0.046 0.000 1.072 131 H CA 1.270 57.292 56.048 -0.044 0.000 1.458 131 H CB 0.752 30.493 29.762 -0.035 0.000 1.456 131 H HN 0.059 8.183 8.280 -0.260 0.000 0.551 132 G N -3.481 105.384 108.800 0.107 0.000 4.105 132 G HA2 0.117 4.084 3.960 0.012 0.000 0.172 132 G HA3 0.117 4.105 3.960 0.048 0.000 0.172 132 G C -1.933 172.975 174.900 0.013 0.000 1.315 132 G CA 0.761 45.883 45.100 0.037 0.000 0.994 132 G HN 0.216 8.590 8.290 0.140 0.000 0.441 133 P HA 0.018 4.456 4.420 0.029 0.000 0.236 133 P C -0.493 176.810 177.300 0.005 0.000 1.172 133 P CA 0.082 63.197 63.100 0.024 0.000 0.759 133 P CB -0.011 31.707 31.700 0.030 0.000 0.843 134 E N 0.047 120.232 120.200 -0.024 0.000 1.957 134 E HA -0.167 4.164 4.350 -0.032 0.000 0.214 134 E C 0.386 176.938 176.600 -0.079 0.000 0.922 134 E CA 1.644 58.006 56.400 -0.063 0.000 0.977 134 E CB 0.645 30.270 29.700 -0.126 0.000 0.841 134 E HN -0.236 8.082 8.360 -0.015 0.034 0.583 135 G N -4.419 104.263 108.800 -0.195 0.000 2.333 135 G HA2 0.087 4.015 3.960 -0.054 0.000 0.288 135 G HA3 0.087 4.044 3.960 -0.005 0.000 0.288 135 G C -1.949 172.710 174.900 -0.402 0.000 1.286 135 G CA -0.563 44.449 45.100 -0.148 0.000 0.865 135 G HN -0.718 7.392 8.290 -0.299 0.000 0.506 136 F N -0.861 119.124 119.950 0.058 0.000 2.427 136 F HA 0.235 4.961 4.527 0.178 -0.093 0.348 136 F C -1.946 173.973 175.800 0.199 0.000 1.125 136 F CA -0.641 57.438 58.000 0.130 0.000 0.989 136 F CB 3.336 42.353 39.000 0.028 0.000 1.165 136 F HN -0.156 8.340 8.300 0.327 0.000 0.442 137 H N 5.017 124.262 119.070 0.292 0.000 2.640 137 H HA 0.244 4.923 4.556 0.204 0.000 0.297 137 H C -2.166 173.396 175.328 0.391 0.000 1.073 137 H CA -1.114 55.079 56.048 0.241 0.000 1.305 137 H CB 1.511 31.327 29.762 0.091 0.000 1.404 137 H HN 0.153 8.779 8.280 0.388 -0.114 0.459 138 Y N 6.191 126.321 120.300 -0.284 0.000 2.602 138 Y HA 0.435 4.997 4.550 0.021 0.000 0.330 138 Y C -1.233 174.510 175.900 -0.262 0.000 1.114 138 Y CA -2.138 55.885 58.100 -0.128 0.000 1.182 138 Y CB 4.275 42.716 38.460 -0.031 0.000 1.305 138 Y HN 0.337 8.606 8.280 -0.019 0.000 0.502 139 K N -2.266 118.164 120.400 0.051 0.000 2.527 139 K HA 0.391 4.797 4.320 0.010 -0.080 0.260 139 K C -2.418 174.303 176.600 0.201 0.000 0.937 139 K CA -1.080 55.242 56.287 0.058 0.000 0.826 139 K CB 3.330 35.832 32.500 0.003 0.000 1.359 139 K HN 0.041 8.324 8.250 0.055 0.000 0.434 140 C N 1.103 120.568 119.300 0.275 0.000 2.891 140 C HA 0.389 5.038 4.460 0.178 -0.083 0.342 140 C C -2.152 172.947 174.990 0.182 0.000 1.126 140 C CA -1.677 57.469 59.018 0.212 0.000 1.322 140 C CB 3.295 31.140 27.740 0.176 0.000 1.763 140 C HN 0.452 8.844 8.230 0.271 0.000 0.491 141 K N 8.009 128.326 120.400 -0.137 0.000 2.182 141 K HA 0.342 4.600 4.320 -0.257 -0.092 0.262 141 K C -2.587 173.837 176.600 -0.293 0.000 0.957 141 K CA -0.895 55.126 56.287 -0.444 0.000 0.842 141 K CB 2.677 34.464 32.500 -1.189 0.000 1.099 141 K HN 0.192 8.328 8.250 -0.190 0.000 0.438 142 M N 4.311 123.800 119.600 -0.185 0.000 2.575 142 M HA 0.943 5.590 4.480 -0.153 -0.259 0.284 142 M C -1.084 175.164 176.300 -0.086 0.000 1.253 142 M CA -1.697 53.532 55.300 -0.119 0.000 0.861 142 M CB 4.557 37.134 32.600 -0.039 0.000 1.733 142 M HN -0.340 7.861 8.290 -0.149 0.000 0.462 143 G N 0.438 109.201 108.800 -0.061 0.000 2.781 143 G HA2 -0.273 3.672 3.960 -0.025 0.000 0.683 143 G HA3 -0.273 3.668 3.960 -0.031 0.000 0.683 143 G C -0.204 174.658 174.900 -0.063 0.000 1.390 143 G CA 0.090 45.164 45.100 -0.042 0.000 0.850 143 G HN -0.226 8.030 8.290 -0.057 0.000 0.557 144 Q N -1.025 118.748 119.800 -0.045 0.000 2.360 144 Q HA -0.067 4.234 4.340 -0.066 0.000 0.202 144 Q C -0.284 175.687 176.000 -0.047 0.000 0.915 144 Q CA 1.085 56.858 55.803 -0.050 0.000 0.943 144 Q CB 0.231 28.949 28.738 -0.033 0.000 1.064 144 Q HN 0.638 8.890 8.270 -0.030 0.000 0.511 145 K N -4.190 116.186 120.400 -0.040 0.000 2.788 145 K HA 0.185 4.487 4.320 -0.029 0.000 0.190 145 K C -1.118 175.475 176.600 -0.012 0.000 1.143 145 K CA -0.428 55.844 56.287 -0.024 0.000 1.099 145 K CB 0.160 32.655 32.500 -0.009 0.000 0.767 145 K HN -0.399 7.765 8.250 -0.038 0.063 0.466 146 E N -0.207 119.975 120.200 -0.030 0.000 2.331 146 E HA 0.198 4.576 4.350 0.048 0.000 0.275 146 E C -2.231 174.371 176.600 0.002 0.000 0.895 146 E CA -0.166 56.241 56.400 0.013 0.000 0.753 146 E CB 3.878 33.588 29.700 0.017 0.000 1.216 146 E HN -0.472 7.849 8.360 -0.066 0.000 0.434 147 Y N 3.101 123.402 120.300 0.001 0.000 2.841 147 Y HA 0.122 4.666 4.550 -0.011 0.000 0.329 147 Y C -0.584 175.320 175.900 0.008 0.000 1.062 147 Y CA -1.976 56.124 58.100 0.001 0.000 1.281 147 Y CB 0.495 38.960 38.460 0.009 0.000 1.147 147 Y HN 0.347 8.746 8.280 0.199 0.000 0.521 148 S N 5.632 121.464 115.700 0.220 0.000 3.806 148 S HA -0.136 4.407 4.470 0.122 0.000 0.218 148 S C -0.071 174.639 174.600 0.183 0.000 1.146 148 S CA 0.170 58.464 58.200 0.157 0.000 1.030 148 S CB -1.397 61.865 63.200 0.103 0.000 1.617 148 S HN 0.451 8.825 8.310 0.107 0.000 0.487 149 I N 3.168 123.831 120.570 0.155 0.000 2.634 149 I HA -0.303 3.989 4.170 0.073 -0.078 0.284 149 I C -0.160 175.959 176.117 0.004 0.000 1.124 149 I CA 1.029 62.360 61.300 0.052 0.000 1.417 149 I CB 0.248 38.240 38.000 -0.014 0.000 1.396 149 I HN 0.364 8.630 8.210 0.154 0.037 0.571 150 G N 6.393 115.160 108.800 -0.055 0.000 2.660 150 G HA2 0.426 4.364 3.960 -0.037 0.000 0.294 150 G HA3 0.426 4.383 3.960 -0.006 0.000 0.294 150 G C -2.574 172.245 174.900 -0.135 0.000 1.369 150 G CA -1.073 43.995 45.100 -0.053 0.000 0.912 150 G HN -0.129 8.114 8.290 -0.079 0.000 0.479 151 T N 0.944 115.448 114.554 -0.082 0.000 2.886 151 T HA 0.366 4.777 4.350 -0.058 -0.096 0.292 151 T C -1.198 173.484 174.700 -0.031 0.000 1.012 151 T CA -0.778 61.291 62.100 -0.051 0.000 0.982 151 T CB 2.679 71.552 68.868 0.008 0.000 1.018 151 T HN -0.018 8.194 8.240 -0.048 0.000 0.451 152 G N 3.030 111.811 108.800 -0.032 0.000 2.533 152 G HA2 0.522 4.451 3.960 -0.052 0.000 0.304 152 G HA3 0.522 4.475 3.960 -0.165 -0.092 0.304 152 G C -0.889 174.038 174.900 0.045 0.000 1.263 152 G CA -1.610 43.452 45.100 -0.063 0.000 0.964 152 G HN 0.363 8.655 8.290 0.003 0.000 0.479 153 S N -0.674 115.045 115.700 0.031 0.000 2.481 153 S HA -0.158 4.421 4.470 0.182 0.000 0.231 153 S C -0.409 174.300 174.600 0.181 0.000 0.996 153 S CA 2.272 60.547 58.200 0.124 0.000 0.942 153 S CB 0.363 63.596 63.200 0.054 0.000 0.768 153 S HN 0.487 8.783 8.310 -0.022 0.000 0.520 154 T N -5.208 109.280 114.554 -0.110 0.000 2.900 154 T HA 0.283 4.087 4.350 -0.909 0.000 0.303 154 T C -0.712 173.484 174.700 -0.841 0.000 1.142 154 T CA -2.713 59.050 62.100 -0.560 0.000 1.007 154 T CB 3.728 72.392 68.868 -0.340 0.000 1.156 154 T HN -1.025 7.084 8.240 -0.145 0.044 0.490 155 K N 1.376 121.026 120.400 -1.249 0.000 2.160 155 K HA -0.419 3.292 4.320 -1.016 0.000 0.206 155 K C 2.386 178.622 176.600 -0.607 0.000 1.047 155 K CA 4.601 60.382 56.287 -0.844 0.000 0.930 155 K CB -0.279 31.948 32.500 -0.455 0.000 0.720 155 K HN 0.564 7.814 8.250 -1.666 0.000 0.450 156 Q N -2.254 117.283 119.800 -0.440 0.000 2.033 156 Q HA -0.216 3.973 4.340 -0.252 0.000 0.196 156 Q C 2.053 177.865 176.000 -0.314 0.000 0.970 156 Q CA 3.407 59.032 55.803 -0.297 0.000 0.828 156 Q CB -0.195 28.420 28.738 -0.205 0.000 0.895 156 Q HN 0.336 8.310 8.270 -0.458 0.021 0.440 157 E N -0.128 119.893 120.200 -0.299 0.000 2.160 157 E HA -0.324 4.073 4.350 -0.215 -0.175 0.195 157 E C 2.163 178.589 176.600 -0.290 0.000 0.991 157 E CA 2.833 59.087 56.400 -0.245 0.000 0.810 157 E CB -0.180 29.413 29.700 -0.179 0.000 0.742 157 E HN -0.693 7.484 8.360 -0.304 0.000 0.466 158 A N -0.007 122.564 122.820 -0.416 0.000 1.841 158 A HA -0.378 3.766 4.320 -0.292 0.000 0.214 158 A C 1.568 178.948 177.584 -0.341 0.000 1.195 158 A CA 3.386 55.144 52.037 -0.466 0.000 0.611 158 A CB -0.515 17.864 19.000 -1.035 0.000 0.835 158 A HN 0.586 8.416 8.150 -0.499 0.021 0.443 159 K N -1.120 119.059 120.400 -0.368 0.000 2.001 159 K HA -0.518 3.810 4.320 0.013 0.000 0.214 159 K C 2.475 178.913 176.600 -0.270 0.000 1.050 159 K CA 4.034 60.224 56.287 -0.161 0.000 0.934 159 K CB -0.085 32.338 32.500 -0.129 0.000 0.718 159 K HN -0.569 7.362 8.250 -0.531 0.000 0.443 160 Q N -2.589 116.932 119.800 -0.465 0.000 2.045 160 Q HA -0.362 3.000 4.340 -1.631 0.000 0.206 160 Q C 2.572 178.231 176.000 -0.569 0.000 0.991 160 Q CA 2.771 57.988 55.803 -0.977 0.000 0.851 160 Q CB -0.210 27.968 28.738 -0.933 0.000 0.911 160 Q HN -0.438 7.596 8.270 -0.394 0.000 0.418 161 L N -2.308 118.726 121.223 -0.316 0.000 2.201 161 L HA -0.182 4.089 4.340 -0.115 0.000 0.212 161 L C 1.634 178.470 176.870 -0.057 0.000 1.105 161 L CA 2.414 57.167 54.840 -0.145 0.000 0.775 161 L CB -1.080 40.910 42.059 -0.114 0.000 0.913 161 L HN -0.587 7.455 8.230 -0.314 0.000 0.440 162 A N 0.378 123.169 122.820 -0.048 0.000 1.873 162 A HA -0.481 3.879 4.320 0.067 0.000 0.218 162 A C 1.557 179.224 177.584 0.140 0.000 1.193 162 A CA 3.344 55.426 52.037 0.074 0.000 0.629 162 A CB -1.123 17.974 19.000 0.161 0.000 0.826 162 A HN 0.705 8.544 8.150 -0.118 0.240 0.447 163 A N -2.090 120.831 122.820 0.168 0.000 1.855 163 A HA -0.364 4.134 4.320 0.297 0.000 0.215 163 A C 2.069 179.827 177.584 0.289 0.000 1.191 163 A CA 2.625 54.828 52.037 0.276 0.000 0.613 163 A CB -0.626 18.576 19.000 0.337 0.000 0.829 163 A HN -0.507 7.695 8.150 0.088 0.000 0.442 164 K N -1.024 119.531 120.400 0.258 0.000 2.144 164 K HA -0.392 4.175 4.320 0.411 0.000 0.209 164 K C 2.586 179.247 176.600 0.102 0.000 1.047 164 K CA 3.149 59.577 56.287 0.236 0.000 0.927 164 K CB -0.313 32.261 32.500 0.123 0.000 0.716 164 K HN -0.666 7.685 8.250 0.169 0.000 0.454 165 L N -0.874 120.401 121.223 0.087 0.000 1.961 165 L HA -0.296 4.058 4.340 0.024 0.000 0.210 165 L C 1.238 178.149 176.870 0.068 0.000 1.072 165 L CA 2.984 57.857 54.840 0.054 0.000 0.749 165 L CB -1.070 41.023 42.059 0.057 0.000 0.889 165 L HN 0.137 8.206 8.230 0.090 0.216 0.432 166 A N -2.488 120.399 122.820 0.113 0.000 1.855 166 A HA -0.352 4.013 4.320 0.076 0.000 0.215 166 A C 1.604 179.280 177.584 0.154 0.000 1.191 166 A CA 2.772 54.876 52.037 0.112 0.000 0.613 166 A CB -0.329 18.737 19.000 0.111 0.000 0.829 166 A HN -0.576 7.655 8.150 0.135 0.000 0.442 167 Y N 0.176 120.517 120.300 0.069 0.000 2.030 167 Y HA -0.429 4.158 4.550 0.062 0.000 0.272 167 Y C 1.920 177.850 175.900 0.050 0.000 1.185 167 Y CA 2.085 60.227 58.100 0.069 0.000 1.120 167 Y CB -0.723 37.798 38.460 0.102 0.000 0.955 167 Y HN 0.487 8.845 8.280 0.328 0.118 0.495 168 L N -5.207 115.807 121.223 -0.348 0.000 2.549 168 L HA -0.330 3.628 4.340 -0.637 0.000 0.229 168 L C 2.231 179.009 176.870 -0.154 0.000 1.158 168 L CA 1.260 55.852 54.840 -0.414 0.000 0.842 168 L CB -1.010 40.866 42.059 -0.305 0.000 0.952 168 L HN -0.251 7.765 8.230 -0.153 0.123 0.452 169 Q N 0.891 120.659 119.800 -0.053 0.000 2.061 169 Q HA -0.242 4.084 4.340 -0.024 0.000 0.195 169 Q C 2.005 178.006 176.000 0.001 0.000 0.967 169 Q CA 3.204 58.999 55.803 -0.012 0.000 0.829 169 Q CB 0.289 29.039 28.738 0.020 0.000 0.900 169 Q HN 0.297 8.391 8.270 -0.014 0.168 0.450 170 I N -0.701 119.887 120.570 0.030 0.000 2.423 170 I HA -0.415 3.769 4.170 0.025 0.000 0.254 170 I C 1.975 178.106 176.117 0.024 0.000 1.151 170 I CA 3.584 64.906 61.300 0.037 0.000 1.421 170 I CB -0.854 37.185 38.000 0.065 0.000 1.079 170 I HN -0.137 8.105 8.210 0.055 0.000 0.431 171 L N -2.052 119.172 121.223 0.002 0.000 2.017 171 L HA -0.304 4.043 4.340 0.013 0.000 0.208 171 L C 1.501 178.358 176.870 -0.021 0.000 1.073 171 L CA 2.762 57.590 54.840 -0.019 0.000 0.745 171 L CB -1.192 40.805 42.059 -0.103 0.000 0.894 171 L HN -0.681 7.504 8.230 -0.013 0.038 0.432 172 S N -3.981 111.701 115.700 -0.030 0.000 2.436 172 S HA -0.095 4.363 4.470 -0.020 0.000 0.228 172 S C 0.296 174.892 174.600 -0.007 0.000 1.014 172 S CA 1.155 59.343 58.200 -0.020 0.000 0.950 172 S CB 0.505 63.690 63.200 -0.024 0.000 0.784 172 S HN -0.664 7.521 8.310 -0.040 0.101 0.504 173 E N 1.182 121.382 120.200 -0.001 0.000 2.217 173 E HA -0.084 4.268 4.350 0.003 0.000 0.279 173 E C -0.557 176.047 176.600 0.006 0.000 1.068 173 E CA -0.347 56.056 56.400 0.004 0.000 0.882 173 E CB -0.279 29.426 29.700 0.008 0.000 1.039 173 E HN 0.028 8.155 8.360 -0.001 0.232 0.418 174 E N 2.179 122.382 120.200 0.005 0.000 2.502 174 E HA -0.134 4.221 4.350 0.007 0.000 0.194 174 E C 0.058 176.661 176.600 0.006 0.000 1.062 174 E CA 0.389 56.792 56.400 0.005 0.000 0.867 174 E CB 0.008 29.710 29.700 0.004 0.000 0.888 174 E HN 0.164 8.526 8.360 0.003 0.000 0.510 175 T N -4.625 109.932 114.554 0.006 0.000 2.856 175 T HA 0.035 4.388 4.350 0.004 0.000 0.292 175 T C 0.244 174.947 174.700 0.005 0.000 0.980 175 T CA 0.072 62.175 62.100 0.004 0.000 1.091 175 T CB 0.996 69.866 68.868 0.003 0.000 0.936 175 T HN -0.593 7.573 8.240 0.006 0.078 0.503 176 G N 4.385 113.187 108.800 0.003 0.000 2.935 176 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.213 176 G HA3 -0.118 3.845 3.960 0.006 0.000 0.213 176 G C -0.585 174.317 174.900 0.003 0.000 0.984 176 G CA 0.357 45.459 45.100 0.003 0.000 0.790 176 G HN 0.475 8.766 8.290 0.003 0.000 0.538 177 S N -0.592 115.110 115.700 0.004 0.000 2.517 177 S HA 0.028 4.501 4.470 0.004 0.000 0.214 177 S C 1.123 175.724 174.600 0.002 0.000 0.991 177 S CA 0.626 58.828 58.200 0.004 0.000 0.906 177 S CB 1.032 64.235 63.200 0.005 0.000 0.789 177 S HN -0.200 8.112 8.310 0.004 0.000 0.513 178 G N -0.902 107.898 108.800 0.001 0.000 2.613 178 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.199 178 G HA3 -0.196 3.764 3.960 0.001 0.000 0.199 178 G C -0.531 174.369 174.900 0.001 0.000 0.991 178 G CA -0.372 44.728 45.100 0.000 0.000 0.756 178 G HN 0.065 8.312 8.290 0.001 0.044 0.515 179 C N 0.000 119.301 119.300 0.001 0.000 2.653 179 C HA 0.000 4.461 4.460 0.001 0.000 0.325 179 C CA 0.000 59.019 59.018 0.001 0.000 1.963 179 C CB 0.000 27.741 27.740 0.002 0.000 2.134 179 C HN 0.000 8.231 8.230 0.002 0.000 0.568