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 1a24_1_A DATA FIRST_RESID 1 DATA SEQUENCE AQYEDGKQYT TLEKPVAGAP QVLEFFSFFC PHCYQFEEVL HISDNVKKKL DATA SEQUENCE PEGVKMTKYH VNFMGGDLGK DLTQAWAVAM ALGVEDKVTV PLFEGVQKTQ DATA SEQUENCE TIRSASDIRD VFINAGIKGE EYDAAWNSFV VKSLVAQQEK AAADVQLRGV DATA SEQUENCE PAMFVNGKYQ LNPQGMDTSN MDVFVQQYAD TVKYLSEKK 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 A HA 0.000 4.261 4.320 -0.099 0.000 0.244 1 A C 0.000 177.419 177.584 -0.276 0.000 1.274 1 A CA 0.000 51.955 52.037 -0.137 0.000 0.836 1 A CB 0.000 18.931 19.000 -0.115 0.000 0.831 2 Q N 4.723 124.344 119.800 -0.300 0.000 3.048 2 Q HA 0.168 3.901 4.340 -1.013 0.000 0.337 2 Q C -1.705 174.045 176.000 -0.416 0.000 0.845 2 Q CA -0.128 55.345 55.803 -0.550 0.000 0.942 2 Q CB 0.677 29.294 28.738 -0.201 0.000 1.454 2 Q HN 0.076 8.245 8.270 -0.169 0.000 0.392 3 Y N -3.859 116.473 120.300 0.054 0.000 2.900 3 Y HA -0.368 4.344 4.550 0.271 0.000 0.132 3 Y C -0.823 175.267 175.900 0.318 0.000 1.815 3 Y CA 0.174 58.389 58.100 0.192 0.000 1.009 3 Y CB -1.252 37.164 38.460 -0.073 0.000 1.622 3 Y HN 0.036 7.839 8.280 -0.794 0.000 0.332 4 E N 1.706 122.092 120.200 0.310 0.000 2.341 4 E HA -0.058 4.418 4.350 0.210 0.000 0.279 4 E C -0.643 176.058 176.600 0.168 0.000 1.395 4 E CA -0.958 55.565 56.400 0.205 0.000 1.648 4 E CB -1.232 28.527 29.700 0.098 0.000 1.524 4 E HN 0.013 8.515 8.360 0.235 0.000 0.462 5 D N -0.779 119.737 120.400 0.193 0.000 3.301 5 D HA -0.396 3.962 4.640 -0.632 -0.097 0.220 5 D C -0.009 176.225 176.300 -0.110 0.000 1.173 5 D CA 1.586 55.492 54.000 -0.157 0.000 0.974 5 D CB -1.340 39.433 40.800 -0.045 0.000 0.853 5 D HN -0.363 8.242 8.370 0.508 0.070 0.396 6 G N 0.235 108.963 108.800 -0.119 0.000 2.545 6 G HA2 -0.294 3.634 3.960 -0.053 0.000 0.195 6 G HA3 -0.294 3.655 3.960 -0.017 0.000 0.195 6 G C -0.939 174.000 174.900 0.066 0.000 1.009 6 G CA 0.004 45.089 45.100 -0.025 0.000 0.703 6 G HN 0.585 8.663 8.290 -0.206 0.088 0.479 7 K N 1.100 121.579 120.400 0.132 0.000 1.991 7 K HA -0.035 4.341 4.320 0.094 0.000 0.208 7 K C 0.410 177.133 176.600 0.205 0.000 1.038 7 K CA 1.334 57.704 56.287 0.139 0.000 0.943 7 K CB 0.019 32.588 32.500 0.116 0.000 0.736 7 K HN -0.006 8.337 8.250 0.155 0.000 0.440 8 Q N -5.542 114.462 119.800 0.341 0.000 2.319 8 Q HA 0.033 4.533 4.340 0.267 0.000 0.202 8 Q C -1.550 174.756 176.000 0.510 0.000 0.896 8 Q CA 0.357 56.386 55.803 0.377 0.000 0.942 8 Q CB 0.775 29.769 28.738 0.427 0.000 1.083 8 Q HN 0.120 8.639 8.270 0.414 0.000 0.510 9 Y N -8.688 111.706 120.300 0.157 0.000 2.288 9 Y HA 0.291 4.968 4.550 0.071 -0.085 0.319 9 Y C -2.643 173.330 175.900 0.122 0.000 1.349 9 Y CA -2.110 56.062 58.100 0.120 0.000 1.287 9 Y CB 0.004 38.545 38.460 0.135 0.000 1.296 9 Y HN -0.710 7.814 8.280 0.516 0.065 0.431 10 T N 2.070 116.545 114.554 -0.131 0.000 2.922 10 T HA 0.318 4.552 4.350 -0.312 -0.071 0.281 10 T C -1.339 173.257 174.700 -0.173 0.000 1.005 10 T CA -2.743 59.231 62.100 -0.210 0.000 0.982 10 T CB 2.471 71.288 68.868 -0.085 0.000 1.158 10 T HN 0.082 8.316 8.240 -0.010 0.000 0.566 11 T N 2.770 117.246 114.554 -0.130 0.000 2.841 11 T HA 0.473 4.896 4.350 -0.087 -0.125 0.283 11 T C -0.552 174.117 174.700 -0.052 0.000 1.000 11 T CA -1.166 60.875 62.100 -0.098 0.000 0.977 11 T CB 1.873 70.669 68.868 -0.120 0.000 0.979 11 T HN -0.089 8.078 8.240 -0.122 0.000 0.446 12 L N 2.639 123.850 121.223 -0.020 0.000 2.375 12 L HA 0.549 4.892 4.340 0.005 0.000 0.268 12 L C 0.396 177.249 176.870 -0.029 0.000 1.058 12 L CA -1.177 53.669 54.840 0.010 0.000 0.803 12 L CB 1.123 43.237 42.059 0.092 0.000 1.212 12 L HN -0.376 7.839 8.230 -0.025 0.000 0.451 13 E N -2.083 118.100 120.200 -0.027 0.000 2.479 13 E HA -0.047 4.278 4.350 -0.043 0.000 0.193 13 E C -0.697 175.880 176.600 -0.039 0.000 1.049 13 E CA 0.774 57.153 56.400 -0.036 0.000 0.870 13 E CB -0.098 29.584 29.700 -0.030 0.000 0.944 13 E HN 0.286 8.634 8.360 -0.020 0.000 0.492 14 K N -0.310 120.067 120.400 -0.040 0.000 2.606 14 K HA 0.465 4.757 4.320 -0.046 0.000 0.196 14 K C -2.532 174.037 176.600 -0.053 0.000 1.048 14 K CA -2.819 53.438 56.287 -0.050 0.000 1.017 14 K CB 0.361 32.822 32.500 -0.065 0.000 1.413 14 K HN -0.270 7.891 8.250 -0.030 0.071 0.568 15 P HA 0.157 4.647 4.420 -0.032 -0.088 0.276 15 P C -1.042 176.238 177.300 -0.032 0.000 1.252 15 P CA -1.443 61.633 63.100 -0.041 0.000 0.802 15 P CB 0.797 32.464 31.700 -0.054 0.000 1.035 16 V N 2.046 121.950 119.914 -0.016 0.000 2.327 16 V HA 0.085 4.197 4.120 -0.014 0.000 0.272 16 V C -1.098 175.003 176.094 0.012 0.000 1.019 16 V CA -1.920 60.376 62.300 -0.007 0.000 0.814 16 V CB 1.068 32.887 31.823 -0.007 0.000 1.040 16 V HN -0.148 7.934 8.190 -0.004 0.105 0.440 17 A N 8.288 131.113 122.820 0.009 0.000 2.591 17 A HA -0.218 4.115 4.320 0.021 0.000 0.244 17 A C 0.991 178.591 177.584 0.028 0.000 1.031 17 A CA 1.988 54.036 52.037 0.018 0.000 0.767 17 A CB -0.155 18.854 19.000 0.014 0.000 0.942 17 A HN 0.491 8.641 8.150 0.001 0.000 0.514 18 G N 2.872 111.694 108.800 0.037 0.000 2.234 18 G HA2 -0.398 3.589 3.960 0.044 0.000 0.235 18 G HA3 -0.398 3.587 3.960 0.041 0.000 0.235 18 G C -0.247 174.687 174.900 0.057 0.000 0.997 18 G CA -0.591 44.535 45.100 0.044 0.000 0.623 18 G HN 0.283 8.596 8.290 0.039 0.000 0.514 19 A N 3.170 126.025 122.820 0.058 0.000 2.645 19 A HA -0.108 4.258 4.320 0.078 0.000 0.233 19 A C -1.639 175.998 177.584 0.090 0.000 1.100 19 A CA 0.060 52.143 52.037 0.077 0.000 0.793 19 A CB -0.528 18.520 19.000 0.081 0.000 1.028 19 A HN 0.479 8.437 8.150 0.047 0.220 0.516 20 P HA 0.082 4.550 4.420 0.081 0.000 0.280 20 P C 0.352 177.715 177.300 0.105 0.000 1.244 20 P CA -0.422 62.735 63.100 0.096 0.000 0.784 20 P CB 1.040 32.798 31.700 0.096 0.000 0.913 21 Q N 1.047 120.896 119.800 0.081 0.000 2.325 21 Q HA -0.277 4.183 4.340 0.089 -0.067 0.211 21 Q C -0.470 175.582 176.000 0.087 0.000 0.988 21 Q CA 3.020 58.867 55.803 0.074 0.000 0.887 21 Q CB 0.246 29.004 28.738 0.033 0.000 0.915 21 Q HN 0.471 8.780 8.270 0.066 0.000 0.440 22 V N -2.392 117.579 119.914 0.096 0.000 2.763 22 V HA 0.152 4.430 4.120 0.138 -0.075 0.257 22 V C -2.306 173.861 176.094 0.122 0.000 0.906 22 V CA -1.128 61.241 62.300 0.114 0.000 0.894 22 V CB 0.177 32.053 31.823 0.089 0.000 1.052 22 V HN -0.353 7.836 8.190 0.087 0.054 0.491 23 L N 6.612 127.939 121.223 0.173 0.000 2.410 23 L HA 0.098 4.473 4.340 0.057 0.000 0.273 23 L C -1.653 175.283 176.870 0.110 0.000 1.144 23 L CA -0.036 54.881 54.840 0.128 0.000 0.863 23 L CB 0.712 42.891 42.059 0.200 0.000 1.140 23 L HN 1.300 9.537 8.230 0.231 0.131 0.463 24 E N 6.869 127.058 120.200 -0.018 0.000 2.133 24 E HA 0.337 4.845 4.350 0.074 -0.114 0.274 24 E C -1.616 174.969 176.600 -0.026 0.000 0.930 24 E CA -1.410 54.995 56.400 0.009 0.000 0.770 24 E CB 2.549 32.232 29.700 -0.028 0.000 1.104 24 E HN 0.420 8.648 8.360 -0.061 0.096 0.403 25 F N 6.365 126.460 119.950 0.241 0.000 2.332 25 F HA 0.251 5.048 4.527 0.251 -0.119 0.368 25 F C -1.493 174.441 175.800 0.223 0.000 1.110 25 F CA -1.076 57.073 58.000 0.248 0.000 1.087 25 F CB 1.114 40.279 39.000 0.276 0.000 1.235 25 F HN 1.217 9.603 8.300 0.328 0.111 0.470 26 F N 2.262 122.206 119.950 -0.010 0.000 2.628 26 F HA 0.533 5.007 4.527 -0.088 0.000 0.309 26 F C -3.031 172.524 175.800 -0.408 0.000 1.108 26 F CA -1.761 56.152 58.000 -0.146 0.000 0.971 26 F CB 2.963 41.884 39.000 -0.131 0.000 1.279 26 F HN 0.735 9.222 8.300 0.312 0.000 0.441 27 S N 0.684 115.923 115.700 -0.768 0.000 2.798 27 S HA 0.291 3.239 4.470 -2.536 0.000 0.312 27 S C -1.033 173.372 174.600 -0.325 0.000 1.122 27 S CA -2.174 55.261 58.200 -1.275 0.000 0.949 27 S CB 2.751 65.374 63.200 -0.962 0.000 1.235 27 S HN -0.228 7.884 8.310 -0.329 0.000 0.552 28 F N -0.853 119.052 119.950 -0.074 0.000 2.980 28 F HA 0.312 4.557 4.527 -0.470 0.000 0.299 28 F C -0.463 175.228 175.800 -0.182 0.000 1.211 28 F CA -2.822 55.078 58.000 -0.167 0.000 1.328 28 F CB -1.597 37.421 39.000 0.030 0.000 1.154 28 F HN 0.402 8.665 8.300 -0.062 0.000 0.528 29 F N -2.666 117.260 119.950 -0.040 0.000 2.993 29 F HA 0.190 4.701 4.527 -0.027 0.000 0.338 29 F C -0.522 175.219 175.800 -0.099 0.000 1.199 29 F CA -0.454 57.506 58.000 -0.066 0.000 1.069 29 F CB 2.268 41.207 39.000 -0.101 0.000 1.294 29 F HN -0.856 7.430 8.300 0.125 0.090 0.513 30 C N 0.990 120.305 119.300 0.026 0.000 2.401 30 C HA 0.491 4.938 4.460 -0.023 0.000 0.356 30 C C -0.790 174.173 174.990 -0.046 0.000 1.192 30 C CA -2.832 56.179 59.018 -0.013 0.000 2.028 30 C CB 1.917 29.665 27.740 0.013 0.000 2.344 30 C HN -0.512 7.725 8.230 0.012 0.000 0.525 31 P HA -0.012 4.347 4.420 -0.103 0.000 0.221 31 P C 0.325 177.490 177.300 -0.224 0.000 1.155 31 P CA 2.149 65.120 63.100 -0.214 0.000 0.812 31 P CB 0.320 31.802 31.700 -0.363 0.000 0.801 32 H N -3.055 116.031 119.070 0.026 0.000 2.512 32 H HA -0.057 4.652 4.556 0.045 -0.125 0.279 32 H C 1.730 177.130 175.328 0.119 0.000 0.999 32 H CA 1.879 57.962 56.048 0.060 0.000 1.283 32 H CB -0.556 29.228 29.762 0.037 0.000 1.421 32 H HN 0.007 8.112 8.280 -0.263 0.017 0.554 33 C N 0.139 119.543 119.300 0.173 0.000 2.367 33 C HA -0.421 4.203 4.460 0.274 0.000 0.276 33 C C 1.391 176.479 174.990 0.164 0.000 1.195 33 C CA 3.446 62.567 59.018 0.171 0.000 1.756 33 C CB -0.978 26.787 27.740 0.042 0.000 2.046 33 C HN -0.102 8.033 8.230 0.099 0.154 0.453 34 Y N -0.692 119.582 120.300 -0.042 0.000 2.314 34 Y HA -0.278 4.251 4.550 -0.035 0.000 0.293 34 Y C 1.403 177.330 175.900 0.045 0.000 1.129 34 Y CA 1.653 59.739 58.100 -0.023 0.000 1.201 34 Y CB -0.277 38.155 38.460 -0.047 0.000 0.999 34 Y HN -0.727 7.652 8.280 0.165 0.000 0.541 35 Q N -1.759 117.967 119.800 -0.123 0.000 2.398 35 Q HA -0.220 3.812 4.340 -0.514 0.000 0.204 35 Q C 2.277 178.257 176.000 -0.033 0.000 0.932 35 Q CA 2.178 57.842 55.803 -0.233 0.000 0.916 35 Q CB 0.054 28.715 28.738 -0.129 0.000 1.024 35 Q HN -0.635 7.570 8.270 0.026 0.081 0.504 36 F N 0.804 120.742 119.950 -0.021 0.000 2.473 36 F HA -0.166 4.360 4.527 -0.001 0.000 0.294 36 F C -0.824 174.982 175.800 0.010 0.000 1.103 36 F CA 2.291 60.293 58.000 0.003 0.000 1.442 36 F CB 1.666 40.678 39.000 0.020 0.000 1.097 36 F HN 0.497 8.729 8.300 0.284 0.238 0.547 37 E N -4.560 115.744 120.200 0.173 0.000 3.846 37 E HA 0.265 4.662 4.350 0.078 0.000 0.216 37 E C -0.999 175.716 176.600 0.192 0.000 1.092 37 E CA -0.406 56.095 56.400 0.169 0.000 1.370 37 E CB -0.151 29.714 29.700 0.274 0.000 1.227 37 E HN -0.789 7.707 8.360 0.226 0.000 0.442 38 E N -1.857 118.367 120.200 0.041 0.000 2.476 38 E HA -0.073 4.363 4.350 0.144 0.000 0.267 38 E C -0.855 175.559 176.600 -0.309 0.000 1.111 38 E CA 1.190 57.613 56.400 0.040 0.000 1.903 38 E CB 1.202 31.060 29.700 0.262 0.000 3.037 38 E HN -0.072 8.239 8.360 -0.081 0.000 1.041 39 V N -0.766 118.894 119.914 -0.424 0.000 2.492 39 V HA -0.060 3.721 4.120 -0.566 0.000 0.241 39 V C 1.778 177.516 176.094 -0.594 0.000 1.041 39 V CA 1.987 63.967 62.300 -0.533 0.000 1.057 39 V CB 0.384 31.956 31.823 -0.419 0.000 0.711 39 V HN -0.336 7.620 8.190 -0.391 0.000 0.468 40 L N -3.533 117.458 121.223 -0.386 0.000 2.622 40 L HA -0.201 4.030 4.340 -0.182 0.000 0.233 40 L C -0.668 176.096 176.870 -0.176 0.000 1.156 40 L CA 0.467 55.160 54.840 -0.246 0.000 0.866 40 L CB -0.367 41.566 42.059 -0.210 0.000 0.980 40 L HN -0.776 7.251 8.230 -0.339 0.000 0.448 41 H N -5.814 113.201 119.070 -0.092 0.000 2.696 41 H HA -0.357 4.171 4.556 -0.046 0.000 0.312 41 H C 1.191 176.459 175.328 -0.101 0.000 1.066 41 H CA 1.100 57.108 56.048 -0.067 0.000 1.155 41 H CB -2.797 26.943 29.762 -0.036 0.000 1.380 41 H HN -0.077 7.763 8.280 -0.581 0.091 0.388 42 I N -2.377 118.110 120.570 -0.138 0.000 2.676 42 I HA -0.331 3.805 4.170 -0.057 0.000 0.259 42 I C 1.471 177.519 176.117 -0.115 0.000 1.194 42 I CA 2.458 63.636 61.300 -0.204 0.000 1.473 42 I CB -0.301 37.314 38.000 -0.641 0.000 1.096 42 I HN -0.326 7.695 8.210 -0.247 0.040 0.443 43 S N 0.429 116.077 115.700 -0.087 0.000 2.377 43 S HA -0.260 4.255 4.470 0.075 0.000 0.223 43 S C 1.300 175.932 174.600 0.053 0.000 1.030 43 S CA 3.303 61.523 58.200 0.033 0.000 0.970 43 S CB 0.202 63.444 63.200 0.070 0.000 0.830 43 S HN -0.464 7.747 8.310 -0.107 0.035 0.473 44 D N 1.946 122.379 120.400 0.056 0.000 2.120 44 D HA -0.224 4.437 4.640 0.034 0.000 0.202 44 D C 1.821 178.126 176.300 0.010 0.000 0.972 44 D CA 2.690 56.711 54.000 0.034 0.000 0.837 44 D CB -0.342 40.472 40.800 0.024 0.000 0.989 44 D HN -0.319 8.096 8.370 0.075 0.000 0.469 45 N N 0.241 118.949 118.700 0.013 0.000 2.094 45 N HA -0.289 4.439 4.740 -0.019 0.000 0.191 45 N C 2.344 177.837 175.510 -0.029 0.000 1.023 45 N CA 2.980 56.025 53.050 -0.007 0.000 0.857 45 N CB 0.026 38.519 38.487 0.010 0.000 1.013 45 N HN -0.208 8.196 8.380 0.039 0.000 0.426 46 V N -0.946 118.955 119.914 -0.021 0.000 2.626 46 V HA -0.270 3.766 4.120 -0.141 0.000 0.252 46 V C 0.245 176.310 176.094 -0.048 0.000 1.067 46 V CA 1.713 63.971 62.300 -0.070 0.000 1.081 46 V CB 0.018 31.830 31.823 -0.017 0.000 0.686 46 V HN -0.652 7.541 8.190 0.010 0.003 0.468 47 K N -3.062 117.331 120.400 -0.012 0.000 2.243 47 K HA -0.237 4.078 4.320 -0.007 0.000 0.201 47 K C 2.936 179.524 176.600 -0.019 0.000 1.051 47 K CA 2.483 58.767 56.287 -0.006 0.000 0.970 47 K CB -0.285 32.224 32.500 0.016 0.000 0.755 47 K HN -0.651 7.445 8.250 0.003 0.156 0.465 48 K N -0.677 119.707 120.400 -0.025 0.000 2.209 48 K HA -0.218 4.088 4.320 -0.023 0.000 0.204 48 K C 0.953 177.531 176.600 -0.037 0.000 1.048 48 K CA 1.881 58.151 56.287 -0.029 0.000 0.940 48 K CB -0.197 32.283 32.500 -0.032 0.000 0.729 48 K HN 0.012 8.146 8.250 -0.024 0.102 0.451 49 K N -2.997 117.373 120.400 -0.050 0.000 2.498 49 K HA 0.100 4.391 4.320 -0.048 0.000 0.207 49 K C -0.468 176.094 176.600 -0.063 0.000 1.033 49 K CA -1.462 54.790 56.287 -0.059 0.000 1.138 49 K CB -0.107 32.346 32.500 -0.077 0.000 0.860 49 K HN -0.680 7.513 8.250 -0.056 0.023 0.490 50 L N 3.160 124.354 121.223 -0.049 0.000 2.456 50 L HA -0.024 4.280 4.340 -0.060 0.000 0.277 50 L C -1.625 175.224 176.870 -0.037 0.000 1.124 50 L CA -1.126 53.687 54.840 -0.044 0.000 0.880 50 L CB -0.448 41.596 42.059 -0.025 0.000 1.192 50 L HN -0.915 7.112 8.230 -0.040 0.179 0.463 51 P HA 0.166 4.568 4.420 -0.031 0.000 0.277 51 P C -0.100 177.185 177.300 -0.024 0.000 1.240 51 P CA -1.132 61.947 63.100 -0.034 0.000 0.798 51 P CB 1.240 32.914 31.700 -0.043 0.000 0.979 52 E N 0.755 120.945 120.200 -0.017 0.000 2.382 52 E HA -0.170 4.175 4.350 -0.007 0.000 0.190 52 E C -0.434 176.161 176.600 -0.008 0.000 1.125 52 E CA 1.272 57.666 56.400 -0.009 0.000 0.929 52 E CB -0.393 29.303 29.700 -0.006 0.000 1.053 52 E HN 0.333 8.683 8.360 -0.017 0.000 0.475 53 G N -2.432 106.360 108.800 -0.015 0.000 3.993 53 G HA2 0.216 4.173 3.960 -0.006 0.000 0.294 53 G HA3 0.216 4.166 3.960 -0.017 0.000 0.294 53 G C -2.128 172.762 174.900 -0.016 0.000 1.043 53 G CA -0.361 44.731 45.100 -0.013 0.000 0.839 53 G HN -0.150 7.999 8.290 -0.021 0.129 0.516 54 V N -0.658 119.248 119.914 -0.013 0.000 2.653 54 V HA 0.128 4.466 4.120 -0.007 -0.222 0.298 54 V C -1.481 174.615 176.094 0.004 0.000 1.097 54 V CA -0.957 61.336 62.300 -0.012 0.000 0.908 54 V CB 3.104 34.907 31.823 -0.034 0.000 1.024 54 V HN -0.832 7.285 8.190 -0.010 0.067 0.435 55 K N 6.538 126.949 120.400 0.018 0.000 2.263 55 K HA 0.094 4.428 4.320 0.023 0.000 0.282 55 K C -1.238 175.383 176.600 0.035 0.000 1.089 55 K CA -0.725 55.578 56.287 0.028 0.000 0.907 55 K CB 0.113 32.635 32.500 0.037 0.000 1.148 55 K HN 0.232 8.495 8.250 0.022 0.000 0.470 56 M N 7.660 127.280 119.600 0.032 0.000 2.151 56 M HA 0.072 4.722 4.480 0.053 -0.138 0.349 56 M C -0.964 175.358 176.300 0.036 0.000 1.284 56 M CA -0.234 55.092 55.300 0.043 0.000 1.173 56 M CB 0.537 33.165 32.600 0.046 0.000 1.469 56 M HN 0.355 8.661 8.290 0.026 0.000 0.439 57 T N 6.308 120.877 114.554 0.025 0.000 2.907 57 T HA 0.232 4.565 4.350 -0.028 0.000 0.284 57 T C -1.487 173.182 174.700 -0.052 0.000 1.004 57 T CA -1.049 61.032 62.100 -0.031 0.000 1.063 57 T CB 1.283 70.125 68.868 -0.045 0.000 0.992 57 T HN 0.039 8.304 8.240 0.041 0.000 0.483 58 K N 3.984 124.339 120.400 -0.075 0.000 2.450 58 K HA 0.214 4.529 4.320 -0.007 0.000 0.257 58 K C -1.933 174.625 176.600 -0.070 0.000 0.953 58 K CA -0.364 55.941 56.287 0.030 0.000 0.844 58 K CB 2.001 34.660 32.500 0.266 0.000 1.103 58 K HN 0.282 8.470 8.250 -0.105 0.000 0.429 59 Y N 2.923 123.207 120.300 -0.026 0.000 2.630 59 Y HA 0.186 4.704 4.550 -0.052 0.000 0.337 59 Y C -1.652 174.052 175.900 -0.326 0.000 1.051 59 Y CA -1.501 56.500 58.100 -0.166 0.000 1.121 59 Y CB 4.833 43.154 38.460 -0.232 0.000 1.299 59 Y HN 1.125 9.278 8.280 -0.008 0.121 0.498 60 H N 0.817 119.803 119.070 -0.141 0.000 2.479 60 H HA 0.751 5.199 4.556 -0.645 -0.279 0.335 60 H C 0.172 175.521 175.328 0.035 0.000 1.142 60 H CA -1.712 54.136 56.048 -0.333 0.000 1.234 60 H CB 2.908 32.454 29.762 -0.361 0.000 1.503 60 H HN 0.108 8.773 8.280 0.345 -0.178 0.510 61 V N 1.215 121.023 119.914 -0.178 0.000 2.837 61 V HA 0.304 4.604 4.120 0.300 0.000 0.310 61 V C -1.432 174.752 176.094 0.149 0.000 1.059 61 V CA -2.476 59.914 62.300 0.149 0.000 1.004 61 V CB 2.641 34.599 31.823 0.227 0.000 1.045 61 V HN -0.265 7.421 8.190 -0.840 0.000 0.465 62 N N -0.557 118.282 118.700 0.232 0.000 2.599 62 N HA 0.013 4.792 4.740 0.066 0.000 0.309 62 N C -1.281 174.339 175.510 0.184 0.000 1.743 62 N CA -0.683 52.445 53.050 0.129 0.000 0.918 62 N CB -0.228 38.306 38.487 0.078 0.000 1.339 62 N HN 0.199 8.769 8.380 0.317 0.000 0.493 63 F N -3.145 116.735 119.950 -0.116 0.000 2.706 63 F HA 0.204 4.667 4.527 -0.108 0.000 0.365 63 F C -1.553 174.174 175.800 -0.121 0.000 1.469 63 F CA -1.451 56.481 58.000 -0.114 0.000 1.110 63 F CB -0.175 38.758 39.000 -0.111 0.000 1.893 63 F HN -0.772 7.519 8.300 -0.013 0.000 0.573 64 M N 2.494 121.836 119.600 -0.431 0.000 2.778 64 M HA 0.210 4.348 4.480 -0.569 0.000 0.359 64 M C 0.658 176.776 176.300 -0.304 0.000 1.216 64 M CA -0.267 54.745 55.300 -0.480 0.000 0.935 64 M CB 1.036 33.321 32.600 -0.525 0.000 1.330 64 M HN -0.227 7.886 8.290 -0.295 0.000 0.516 65 G N -0.761 107.922 108.800 -0.194 0.000 2.390 65 G HA2 -0.231 3.674 3.960 -0.091 0.000 0.299 65 G HA3 -0.231 3.666 3.960 -0.105 0.000 0.299 65 G C -0.633 174.165 174.900 -0.170 0.000 1.002 65 G CA -0.091 44.931 45.100 -0.131 0.000 0.979 65 G HN 0.116 8.246 8.290 -0.155 0.067 0.513 66 G N -1.691 106.969 108.800 -0.233 0.000 3.191 66 G HA2 0.264 4.111 3.960 -0.188 0.000 0.309 66 G HA3 0.264 3.957 3.960 -0.444 0.000 0.309 66 G C -0.799 173.964 174.900 -0.229 0.000 1.596 66 G CA -0.552 44.382 45.100 -0.276 0.000 0.955 66 G HN -0.492 7.654 8.290 -0.232 0.005 0.508 67 D N 5.600 125.918 120.400 -0.137 0.000 2.242 67 D HA -0.344 4.243 4.640 -0.089 0.000 0.190 67 D C 1.505 177.741 176.300 -0.107 0.000 1.012 67 D CA 3.681 57.621 54.000 -0.099 0.000 0.875 67 D CB -0.199 40.563 40.800 -0.062 0.000 0.922 67 D HN 0.440 8.743 8.370 -0.112 0.000 0.448 68 L N -4.585 116.573 121.223 -0.108 0.000 2.265 68 L HA -0.079 4.230 4.340 -0.053 0.000 0.215 68 L C 2.060 178.858 176.870 -0.119 0.000 1.117 68 L CA 1.824 56.618 54.840 -0.076 0.000 0.782 68 L CB -1.506 40.546 42.059 -0.013 0.000 0.914 68 L HN -0.343 7.816 8.230 -0.107 0.007 0.441 69 G N 0.213 108.873 108.800 -0.233 0.000 2.476 69 G HA2 -0.451 3.373 3.960 -0.226 0.000 0.218 69 G HA3 -0.451 3.319 3.960 -0.341 -0.014 0.218 69 G C 0.764 175.593 174.900 -0.119 0.000 1.164 69 G CA 2.280 47.232 45.100 -0.246 0.000 0.768 69 G HN 1.012 8.938 8.290 -0.282 0.194 0.560 70 K N 1.263 121.600 120.400 -0.104 0.000 2.044 70 K HA -0.371 3.925 4.320 -0.039 0.000 0.210 70 K C 2.018 178.559 176.600 -0.099 0.000 1.049 70 K CA 3.601 59.844 56.287 -0.072 0.000 0.927 70 K CB -0.334 32.126 32.500 -0.066 0.000 0.713 70 K HN -0.599 7.578 8.250 -0.121 0.000 0.443 71 D N -0.932 119.406 120.400 -0.104 0.000 2.218 71 D HA -0.211 4.333 4.640 -0.161 0.000 0.204 71 D C 2.074 178.306 176.300 -0.113 0.000 0.976 71 D CA 2.656 56.587 54.000 -0.115 0.000 0.853 71 D CB 0.062 40.821 40.800 -0.070 0.000 0.939 71 D HN -0.833 7.405 8.370 -0.093 0.075 0.481 72 L N -0.159 120.989 121.223 -0.125 0.000 2.083 72 L HA -0.281 3.993 4.340 -0.110 0.000 0.209 72 L C 1.851 178.370 176.870 -0.584 0.000 1.083 72 L CA 2.894 57.583 54.840 -0.251 0.000 0.752 72 L CB -0.292 41.671 42.059 -0.160 0.000 0.899 72 L HN 0.381 8.276 8.230 -0.106 0.271 0.433 73 T N 1.061 115.389 114.554 -0.377 0.000 2.746 73 T HA -0.373 3.709 4.350 -0.446 0.000 0.267 73 T C 2.165 176.797 174.700 -0.113 0.000 1.039 73 T CA 4.224 66.180 62.100 -0.240 0.000 1.142 73 T CB -0.691 68.178 68.868 0.001 0.000 0.866 73 T HN 0.080 8.066 8.240 -0.197 0.135 0.444 74 Q N 0.017 119.737 119.800 -0.134 0.000 2.291 74 Q HA -0.419 3.862 4.340 -0.098 0.000 0.206 74 Q C 1.685 177.623 176.000 -0.102 0.000 0.976 74 Q CA 3.272 58.989 55.803 -0.143 0.000 0.875 74 Q CB -0.148 28.429 28.738 -0.268 0.000 0.927 74 Q HN -0.362 7.711 8.270 -0.156 0.103 0.450 75 A N 0.141 122.946 122.820 -0.025 0.000 1.898 75 A HA -0.208 4.409 4.320 0.495 0.000 0.216 75 A C 1.429 179.215 177.584 0.336 0.000 1.181 75 A CA 3.364 55.586 52.037 0.307 0.000 0.620 75 A CB -0.830 18.326 19.000 0.260 0.000 0.819 75 A HN -0.305 7.634 8.150 -0.125 0.136 0.442 76 W N -1.052 120.214 121.300 -0.056 0.000 2.402 76 W HA -0.392 4.398 4.660 0.215 0.000 0.286 76 W C 1.324 177.930 176.519 0.145 0.000 1.221 76 W CA 2.814 60.220 57.345 0.102 0.000 1.257 76 W CB 0.328 29.852 29.460 0.106 0.000 1.120 76 W HN -0.460 7.661 8.180 0.064 0.098 0.551 77 A N -0.379 122.549 122.820 0.179 0.000 1.835 77 A HA -0.301 4.084 4.320 0.109 0.000 0.213 77 A C 1.554 179.149 177.584 0.018 0.000 1.210 77 A CA 3.058 55.155 52.037 0.100 0.000 0.605 77 A CB -0.504 18.566 19.000 0.117 0.000 0.860 77 A HN -0.355 7.792 8.150 0.183 0.113 0.447 78 V N -1.722 118.162 119.914 -0.050 0.000 2.546 78 V HA -0.467 3.635 4.120 -0.030 0.000 0.254 78 V C 1.965 178.016 176.094 -0.071 0.000 1.076 78 V CA 3.349 65.552 62.300 -0.162 0.000 1.087 78 V CB -1.299 30.097 31.823 -0.712 0.000 0.674 78 V HN 0.367 8.403 8.190 -0.076 0.108 0.470 79 A N -0.314 122.544 122.820 0.063 0.000 1.835 79 A HA -0.188 4.265 4.320 0.222 0.000 0.213 79 A C 1.683 179.225 177.584 -0.070 0.000 1.210 79 A CA 2.693 54.797 52.037 0.111 0.000 0.605 79 A CB -0.586 18.489 19.000 0.125 0.000 0.860 79 A HN -0.138 8.034 8.150 0.087 0.030 0.447 80 M N -0.943 118.523 119.600 -0.223 0.000 2.255 80 M HA -0.446 3.878 4.480 -0.259 0.000 0.259 80 M C 2.053 178.303 176.300 -0.084 0.000 1.071 80 M CA 3.311 58.471 55.300 -0.234 0.000 1.074 80 M CB 0.099 32.513 32.600 -0.309 0.000 1.384 80 M HN -0.572 7.534 8.290 -0.306 0.000 0.415 81 A N -1.969 120.831 122.820 -0.033 0.000 1.898 81 A HA -0.129 4.205 4.320 0.023 0.000 0.216 81 A C 0.807 178.402 177.584 0.018 0.000 1.181 81 A CA 2.372 54.418 52.037 0.015 0.000 0.620 81 A CB 0.196 19.224 19.000 0.047 0.000 0.819 81 A HN 0.030 8.030 8.150 -0.038 0.127 0.442 82 L N -4.596 116.638 121.223 0.018 0.000 2.769 82 L HA 0.178 4.536 4.340 0.030 0.000 0.240 82 L C 0.178 177.055 176.870 0.012 0.000 1.163 82 L CA -1.049 53.809 54.840 0.030 0.000 0.962 82 L CB 0.442 42.536 42.059 0.057 0.000 1.258 82 L HN -0.433 7.705 8.230 0.015 0.102 0.513 83 G N -0.750 108.039 108.800 -0.018 0.000 2.361 83 G HA2 -0.332 3.583 3.960 -0.075 0.000 0.294 83 G HA3 -0.332 3.611 3.960 -0.029 0.000 0.294 83 G C 0.168 175.051 174.900 -0.029 0.000 1.004 83 G CA 1.294 46.370 45.100 -0.040 0.000 0.870 83 G HN 0.368 8.451 8.290 -0.031 0.188 0.510 84 V N -7.846 112.066 119.914 -0.004 0.000 3.649 84 V HA 0.139 4.252 4.120 -0.011 0.000 0.275 84 V C 0.673 176.734 176.094 -0.056 0.000 1.281 84 V CA -1.069 61.232 62.300 0.003 0.000 1.143 84 V CB 0.082 31.959 31.823 0.089 0.000 0.892 84 V HN -0.910 7.262 8.190 0.014 0.026 0.441 85 E N 2.932 123.082 120.200 -0.082 0.000 2.026 85 E HA -0.562 3.726 4.350 -0.103 0.000 0.206 85 E C 1.478 177.967 176.600 -0.184 0.000 1.028 85 E CA 4.426 60.752 56.400 -0.123 0.000 0.845 85 E CB -0.527 29.086 29.700 -0.146 0.000 0.772 85 E HN 0.063 8.306 8.360 -0.085 0.066 0.462 86 D N -2.164 118.150 120.400 -0.144 0.000 2.220 86 D HA -0.299 4.222 4.640 -0.197 0.000 0.198 86 D C 2.539 178.733 176.300 -0.177 0.000 1.001 86 D CA 3.742 57.648 54.000 -0.157 0.000 0.875 86 D CB -0.250 40.498 40.800 -0.087 0.000 0.921 86 D HN 0.601 8.908 8.370 -0.105 0.000 0.454 87 K N -2.340 117.974 120.400 -0.144 0.000 2.005 87 K HA -0.134 4.116 4.320 -0.117 0.000 0.206 87 K C 1.734 178.222 176.600 -0.187 0.000 1.044 87 K CA 2.536 58.744 56.287 -0.130 0.000 0.942 87 K CB 0.273 32.727 32.500 -0.076 0.000 0.727 87 K HN -0.663 7.386 8.250 -0.119 0.130 0.439 88 V N -5.284 114.489 119.914 -0.235 0.000 2.951 88 V HA 0.043 4.003 4.120 -0.267 0.000 0.255 88 V C 1.250 177.116 176.094 -0.380 0.000 1.088 88 V CA 1.492 63.592 62.300 -0.334 0.000 1.109 88 V CB -0.028 31.442 31.823 -0.588 0.000 0.724 88 V HN 0.214 8.174 8.190 -0.205 0.108 0.471 89 T N 3.636 117.912 114.554 -0.464 0.000 2.746 89 T HA -0.310 3.542 4.350 -0.829 0.000 0.267 89 T C 1.664 175.859 174.700 -0.841 0.000 1.039 89 T CA 5.213 66.771 62.100 -0.903 0.000 1.142 89 T CB -0.606 67.525 68.868 -1.230 0.000 0.866 89 T HN 0.832 8.686 8.240 -0.384 0.156 0.444 90 V N 1.790 121.382 119.914 -0.535 0.000 2.231 90 V HA -0.232 3.679 4.120 -0.348 0.000 0.248 90 V C -0.963 174.996 176.094 -0.225 0.000 1.054 90 V CA 6.775 68.876 62.300 -0.332 0.000 1.015 90 V CB -2.032 29.664 31.823 -0.213 0.000 0.638 90 V HN -0.526 7.394 8.190 -0.451 0.000 0.444 91 P HA -0.072 4.279 4.420 -0.115 0.000 0.229 91 P C 0.900 178.130 177.300 -0.116 0.000 1.160 91 P CA 2.506 65.526 63.100 -0.134 0.000 0.777 91 P CB -0.467 31.164 31.700 -0.115 0.000 0.814 92 L N -2.071 119.067 121.223 -0.140 0.000 2.168 92 L HA -0.207 4.128 4.340 -0.009 0.000 0.203 92 L C 2.062 178.989 176.870 0.094 0.000 1.078 92 L CA 2.645 57.474 54.840 -0.018 0.000 0.780 92 L CB 0.098 42.165 42.059 0.013 0.000 0.939 92 L HN -0.166 7.669 8.230 -0.236 0.253 0.451 93 F N -0.678 119.076 119.950 -0.326 0.000 2.113 93 F HA -0.273 4.074 4.527 -0.298 0.000 0.297 93 F C 2.934 178.534 175.800 -0.334 0.000 1.103 93 F CA 0.357 58.160 58.000 -0.328 0.000 1.248 93 F CB -0.841 37.973 39.000 -0.310 0.000 0.999 93 F HN 0.960 9.082 8.300 -0.046 0.150 0.475 94 E N -2.164 117.973 120.200 -0.106 0.000 2.358 94 E HA -0.201 3.965 4.350 -0.307 0.000 0.195 94 E C 2.049 178.557 176.600 -0.152 0.000 1.010 94 E CA 2.616 58.895 56.400 -0.202 0.000 0.856 94 E CB -0.269 29.325 29.700 -0.176 0.000 0.795 94 E HN -0.290 8.025 8.360 -0.076 0.000 0.504 95 G N -2.261 106.468 108.800 -0.118 0.000 2.430 95 G HA2 -0.097 3.810 3.960 -0.089 0.000 0.216 95 G HA3 -0.097 3.905 3.960 -0.079 -0.089 0.216 95 G C 0.603 175.407 174.900 -0.159 0.000 1.146 95 G CA 1.533 46.570 45.100 -0.105 0.000 0.793 95 G HN -0.583 7.482 8.290 -0.094 0.169 0.537 96 V N -1.085 118.679 119.914 -0.250 0.000 3.660 96 V HA 0.006 3.895 4.120 -0.385 0.000 0.276 96 V C 0.641 176.550 176.094 -0.309 0.000 1.317 96 V CA 0.150 62.189 62.300 -0.435 0.000 1.097 96 V CB -0.118 31.148 31.823 -0.930 0.000 0.863 96 V HN -0.600 7.463 8.190 -0.212 0.000 0.438 97 Q N -1.320 118.339 119.800 -0.235 0.000 2.194 97 Q HA 0.097 4.352 4.340 -0.143 0.000 0.214 97 Q C -0.317 175.601 176.000 -0.138 0.000 0.838 97 Q CA 0.293 55.987 55.803 -0.181 0.000 0.972 97 Q CB 1.182 29.770 28.738 -0.251 0.000 1.131 97 Q HN -0.541 7.434 8.270 -0.229 0.158 0.498 98 K N -0.881 119.443 120.400 -0.126 0.000 2.938 98 K HA 0.131 4.413 4.320 -0.063 0.000 0.222 98 K C -1.505 175.053 176.600 -0.071 0.000 1.423 98 K CA 0.684 56.919 56.287 -0.086 0.000 0.796 98 K CB 0.223 32.666 32.500 -0.094 0.000 1.293 98 K HN -0.489 7.621 8.250 -0.140 0.056 0.501 99 T N -6.453 108.065 114.554 -0.059 0.000 3.865 99 T HA -0.146 4.186 4.350 -0.031 0.000 0.335 99 T C 0.265 174.948 174.700 -0.029 0.000 0.914 99 T CA 0.453 62.528 62.100 -0.041 0.000 1.194 99 T CB 0.058 68.898 68.868 -0.046 0.000 1.003 99 T HN -0.147 8.057 8.240 -0.060 0.000 0.618 100 Q N -2.292 117.483 119.800 -0.042 0.000 2.465 100 Q HA -0.434 3.895 4.340 -0.019 0.000 0.248 100 Q C -0.732 175.280 176.000 0.019 0.000 0.819 100 Q CA 1.745 57.542 55.803 -0.009 0.000 1.219 100 Q CB -1.345 27.397 28.738 0.008 0.000 1.472 100 Q HN 0.047 8.273 8.270 -0.073 0.000 0.630 101 T N -3.114 111.444 114.554 0.006 0.000 3.148 101 T HA -0.081 4.289 4.350 0.032 0.000 0.253 101 T C -0.118 174.615 174.700 0.055 0.000 1.134 101 T CA 1.061 63.177 62.100 0.026 0.000 1.051 101 T CB 0.219 69.094 68.868 0.011 0.000 0.959 101 T HN -0.236 7.944 8.240 -0.018 0.049 0.525 102 I N 2.175 122.784 120.570 0.066 0.000 2.257 102 I HA 0.000 4.515 4.170 0.143 -0.259 0.290 102 I C -1.301 175.001 176.117 0.308 0.000 1.137 102 I CA -1.598 59.796 61.300 0.156 0.000 1.255 102 I CB -3.159 34.886 38.000 0.076 0.000 1.485 102 I HN -0.535 7.611 8.210 0.023 0.079 0.534 103 R N 4.230 124.851 120.500 0.202 0.000 2.582 103 R HA 0.232 4.691 4.340 0.197 0.000 0.453 103 R C -0.909 175.441 176.300 0.082 0.000 0.969 103 R CA -1.142 55.053 56.100 0.158 0.000 1.113 103 R CB 0.268 30.636 30.300 0.114 0.000 1.507 103 R HN -0.407 7.964 8.270 0.143 -0.015 0.587 104 S N -1.662 114.093 115.700 0.092 0.000 2.562 104 S HA 0.272 4.761 4.470 0.032 0.000 0.274 104 S C -0.342 174.299 174.600 0.068 0.000 1.160 104 S CA -0.569 57.665 58.200 0.057 0.000 0.933 104 S CB 3.283 66.515 63.200 0.054 0.000 1.100 104 S HN 0.255 9.261 8.310 0.133 -0.616 0.468 105 A N 4.215 127.061 122.820 0.043 0.000 1.997 105 A HA -0.271 4.085 4.320 0.061 0.000 0.221 105 A C 1.758 179.393 177.584 0.086 0.000 1.172 105 A CA 3.047 55.115 52.037 0.052 0.000 0.645 105 A CB -0.802 18.206 19.000 0.014 0.000 0.813 105 A HN 0.693 8.855 8.150 0.020 0.000 0.454 106 S N -2.834 112.912 115.700 0.076 0.000 2.399 106 S HA -0.256 4.274 4.470 0.099 0.000 0.231 106 S C 1.680 176.342 174.600 0.104 0.000 1.022 106 S CA 3.080 61.333 58.200 0.088 0.000 0.983 106 S CB -0.451 62.788 63.200 0.066 0.000 0.803 106 S HN 0.096 8.418 8.310 0.058 0.024 0.480 107 D N 1.634 122.094 120.400 0.100 0.000 2.084 107 D HA -0.196 4.635 4.640 0.089 -0.138 0.196 107 D C 2.067 178.444 176.300 0.129 0.000 0.985 107 D CA 2.604 56.666 54.000 0.103 0.000 0.826 107 D CB -0.521 40.341 40.800 0.103 0.000 0.978 107 D HN 0.118 8.377 8.370 0.091 0.165 0.456 108 I N -0.360 120.306 120.570 0.159 0.000 2.399 108 I HA -0.598 3.667 4.170 0.158 0.000 0.254 108 I C 2.053 178.353 176.117 0.306 0.000 1.146 108 I CA 3.821 65.246 61.300 0.207 0.000 1.412 108 I CB -0.479 37.660 38.000 0.232 0.000 1.076 108 I HN -0.465 7.834 8.210 0.149 0.000 0.432 109 R N -1.796 118.862 120.500 0.262 0.000 2.093 109 R HA -0.329 4.254 4.340 0.404 0.000 0.224 109 R C 1.813 178.253 176.300 0.233 0.000 1.101 109 R CA 3.498 59.776 56.100 0.296 0.000 0.979 109 R CB -0.425 30.014 30.300 0.232 0.000 0.877 109 R HN -0.395 7.847 8.270 0.198 0.147 0.441 110 D N 0.216 120.709 120.400 0.155 0.000 2.104 110 D HA -0.261 4.441 4.640 0.105 0.000 0.194 110 D C 2.331 178.683 176.300 0.086 0.000 0.994 110 D CA 4.198 58.261 54.000 0.105 0.000 0.830 110 D CB -0.301 40.543 40.800 0.074 0.000 0.959 110 D HN -0.238 8.108 8.370 0.144 0.111 0.452 111 V N -0.863 119.084 119.914 0.055 0.000 2.427 111 V HA -0.386 3.720 4.120 -0.024 0.000 0.248 111 V C 1.610 177.679 176.094 -0.042 0.000 1.051 111 V CA 3.423 65.706 62.300 -0.030 0.000 1.048 111 V CB -0.367 31.396 31.823 -0.099 0.000 0.666 111 V HN -0.499 7.733 8.190 0.070 0.000 0.456 112 F N -0.496 119.460 119.950 0.009 0.000 2.095 112 F HA -0.387 4.121 4.527 -0.033 0.000 0.298 112 F C 2.601 178.410 175.800 0.015 0.000 1.104 112 F CA 4.290 62.280 58.000 -0.018 0.000 1.232 112 F CB -0.194 38.760 39.000 -0.077 0.000 0.987 112 F HN -0.725 7.602 8.300 0.168 0.075 0.475 113 I N -1.132 119.589 120.570 0.252 0.000 2.493 113 I HA -0.583 3.694 4.170 0.178 0.000 0.254 113 I C 1.783 177.961 176.117 0.102 0.000 1.160 113 I CA 3.682 65.082 61.300 0.166 0.000 1.445 113 I CB -0.747 37.336 38.000 0.140 0.000 1.086 113 I HN 0.575 8.944 8.210 0.264 0.000 0.433 114 N N 0.988 119.731 118.700 0.072 0.000 2.443 114 N HA -0.214 4.545 4.740 0.031 0.000 0.184 114 N C 0.185 175.707 175.510 0.021 0.000 1.037 114 N CA 2.504 55.572 53.050 0.030 0.000 0.896 114 N CB -0.530 37.957 38.487 -0.000 0.000 0.959 114 N HN -0.318 7.965 8.380 0.079 0.144 0.442 115 A N -4.035 118.807 122.820 0.037 0.000 2.415 115 A HA 0.305 4.628 4.320 0.005 0.000 0.248 115 A C -0.158 177.457 177.584 0.052 0.000 1.299 115 A CA -0.780 51.274 52.037 0.028 0.000 0.899 115 A CB -0.270 18.744 19.000 0.023 0.000 0.997 115 A HN -0.516 7.496 8.150 0.067 0.177 0.506 116 G N -2.151 106.685 108.800 0.061 0.000 2.179 116 G HA2 -0.280 3.713 3.960 0.055 0.000 0.260 116 G HA3 -0.280 3.709 3.960 0.048 0.000 0.260 116 G C 0.474 175.425 174.900 0.085 0.000 0.977 116 G CA 0.571 45.708 45.100 0.061 0.000 0.641 116 G HN 0.069 8.202 8.290 0.062 0.195 0.533 117 I N 1.446 122.089 120.570 0.121 0.000 2.624 117 I HA -0.128 4.117 4.170 0.126 0.000 0.277 117 I C 0.075 176.285 176.117 0.156 0.000 1.011 117 I CA -2.245 59.146 61.300 0.152 0.000 2.219 117 I CB -3.359 34.774 38.000 0.221 0.000 1.499 117 I HN -0.594 7.611 8.210 0.128 0.082 0.955 118 K N 4.431 124.898 120.400 0.112 0.000 2.611 118 K HA -0.263 4.116 4.320 0.098 0.000 0.280 118 K C 1.222 177.888 176.600 0.110 0.000 0.964 118 K CA 1.075 57.420 56.287 0.097 0.000 1.029 118 K CB 0.519 33.057 32.500 0.063 0.000 0.862 118 K HN 0.292 8.509 8.250 0.091 0.087 0.501 119 G N 4.408 113.266 108.800 0.097 0.000 2.507 119 G HA2 -0.304 3.722 3.960 0.110 0.000 0.221 119 G HA3 -0.304 3.677 3.960 0.036 0.000 0.221 119 G C 1.188 176.087 174.900 -0.002 0.000 1.119 119 G CA 2.099 47.235 45.100 0.060 0.000 0.751 119 G HN 0.363 8.707 8.290 0.090 0.000 0.574 120 E N 0.517 120.724 120.200 0.012 0.000 2.051 120 E HA -0.441 3.889 4.350 -0.034 0.000 0.192 120 E C 2.580 179.182 176.600 0.003 0.000 0.991 120 E CA 2.963 59.358 56.400 -0.008 0.000 0.799 120 E CB -0.612 29.090 29.700 0.004 0.000 0.748 120 E HN 0.571 8.921 8.360 0.029 0.027 0.449 121 E N -0.048 120.179 120.200 0.043 0.000 2.015 121 E HA -0.300 4.075 4.350 0.043 0.000 0.191 121 E C 2.065 178.727 176.600 0.105 0.000 0.991 121 E CA 2.884 59.324 56.400 0.065 0.000 0.802 121 E CB -0.098 29.651 29.700 0.082 0.000 0.759 121 E HN -0.466 7.851 8.360 0.055 0.076 0.447 122 Y N 0.032 120.325 120.300 -0.012 0.000 2.089 122 Y HA -0.392 4.120 4.550 -0.063 0.000 0.282 122 Y C 1.587 177.491 175.900 0.008 0.000 1.139 122 Y CA 1.343 59.412 58.100 -0.053 0.000 1.123 122 Y CB -0.502 37.871 38.460 -0.145 0.000 0.980 122 Y HN -0.407 7.999 8.280 0.210 0.000 0.493 123 D N -0.804 119.320 120.400 -0.462 0.000 2.203 123 D HA -0.489 3.735 4.640 -0.693 0.000 0.199 123 D C 2.020 178.191 176.300 -0.215 0.000 0.997 123 D CA 3.864 57.590 54.000 -0.458 0.000 0.863 123 D CB -0.268 40.370 40.800 -0.270 0.000 0.928 123 D HN 0.214 8.306 8.370 -0.281 0.109 0.458 124 A N -1.404 121.350 122.820 -0.111 0.000 1.898 124 A HA -0.232 4.009 4.320 -0.132 0.000 0.214 124 A C 1.613 179.182 177.584 -0.025 0.000 1.183 124 A CA 2.722 54.711 52.037 -0.080 0.000 0.622 124 A CB -0.413 18.564 19.000 -0.038 0.000 0.824 124 A HN -0.614 7.371 8.150 -0.078 0.118 0.444 125 A N -1.004 121.856 122.820 0.067 0.000 1.873 125 A HA -0.262 4.109 4.320 0.084 0.000 0.218 125 A C 2.221 179.910 177.584 0.175 0.000 1.193 125 A CA 2.846 54.960 52.037 0.128 0.000 0.629 125 A CB -0.729 18.385 19.000 0.191 0.000 0.826 125 A HN 0.131 8.144 8.150 0.082 0.186 0.447 126 W N 0.357 121.671 121.300 0.023 0.000 2.354 126 W HA -0.297 4.383 4.660 0.034 0.000 0.315 126 W C 1.239 177.694 176.519 -0.106 0.000 1.206 126 W CA 2.921 60.262 57.345 -0.007 0.000 1.290 126 W CB -0.644 28.811 29.460 -0.009 0.000 1.152 126 W HN 0.137 8.525 8.180 0.346 0.000 0.489 127 N N -3.115 115.323 118.700 -0.437 0.000 2.417 127 N HA -0.348 3.794 4.740 -0.995 0.000 0.187 127 N C 0.341 175.577 175.510 -0.456 0.000 1.027 127 N CA 2.036 54.699 53.050 -0.645 0.000 0.891 127 N CB -0.051 38.155 38.487 -0.469 0.000 0.956 127 N HN -0.482 7.756 8.380 -0.238 0.000 0.442 128 S N -2.131 113.420 115.700 -0.249 0.000 2.640 128 S HA -0.068 4.284 4.470 -0.197 0.000 0.262 128 S C 0.580 175.034 174.600 -0.244 0.000 1.232 128 S CA -0.894 57.202 58.200 -0.173 0.000 0.988 128 S CB 0.956 64.153 63.200 -0.006 0.000 1.034 128 S HN -0.508 7.515 8.310 -0.141 0.202 0.569 129 F N -1.124 118.829 119.950 0.006 0.000 2.437 129 F HA -0.007 4.535 4.527 0.025 0.000 0.288 129 F C 1.382 177.214 175.800 0.053 0.000 1.085 129 F CA 2.796 60.811 58.000 0.025 0.000 1.430 129 F CB 0.322 39.330 39.000 0.013 0.000 1.120 129 F HN 0.434 8.854 8.300 0.199 0.000 0.556 130 V N 0.105 120.158 119.914 0.232 0.000 2.307 130 V HA -0.379 3.844 4.120 0.172 0.000 0.245 130 V C 1.623 177.806 176.094 0.149 0.000 1.045 130 V CA 3.807 66.207 62.300 0.166 0.000 1.024 130 V CB -0.764 31.133 31.823 0.123 0.000 0.651 130 V HN -0.656 7.667 8.190 0.222 0.000 0.449 131 V N -1.528 118.469 119.914 0.139 0.000 2.407 131 V HA -0.474 3.725 4.120 0.132 0.000 0.248 131 V C 1.698 177.907 176.094 0.191 0.000 1.055 131 V CA 3.977 66.369 62.300 0.153 0.000 1.049 131 V CB -0.829 31.096 31.823 0.171 0.000 0.662 131 V HN 0.008 8.273 8.190 0.125 0.000 0.455 132 K N -1.171 119.344 120.400 0.191 0.000 2.148 132 K HA -0.336 4.161 4.320 0.296 0.000 0.204 132 K C 1.914 178.624 176.600 0.184 0.000 1.050 132 K CA 3.159 59.572 56.287 0.210 0.000 0.942 132 K CB -0.476 32.077 32.500 0.089 0.000 0.724 132 K HN -0.654 7.676 8.250 0.142 0.006 0.446 133 S N 0.095 115.907 115.700 0.186 0.000 2.382 133 S HA -0.224 4.348 4.470 0.170 0.000 0.228 133 S C 2.187 176.887 174.600 0.166 0.000 1.027 133 S CA 3.597 61.902 58.200 0.174 0.000 0.991 133 S CB -0.227 63.076 63.200 0.171 0.000 0.823 133 S HN 0.056 8.254 8.310 0.191 0.227 0.469 134 L N 0.964 122.294 121.223 0.178 0.000 2.395 134 L HA -0.125 4.368 4.340 0.254 0.000 0.218 134 L C 2.085 179.075 176.870 0.201 0.000 1.130 134 L CA 2.642 57.613 54.840 0.219 0.000 0.826 134 L CB 0.015 42.200 42.059 0.209 0.000 0.941 134 L HN -0.438 7.782 8.230 0.172 0.113 0.451 135 V N 0.815 120.824 119.914 0.159 0.000 2.379 135 V HA -0.440 3.746 4.120 0.111 0.000 0.243 135 V C 1.183 177.324 176.094 0.079 0.000 1.035 135 V CA 2.656 65.024 62.300 0.115 0.000 1.035 135 V CB -0.597 31.295 31.823 0.116 0.000 0.673 135 V HN -0.460 7.657 8.190 0.168 0.174 0.457 136 A N -0.850 122.027 122.820 0.095 0.000 1.933 136 A HA -0.296 4.056 4.320 0.053 0.000 0.218 136 A C 2.078 179.677 177.584 0.024 0.000 1.175 136 A CA 3.161 55.237 52.037 0.065 0.000 0.628 136 A CB -0.594 18.458 19.000 0.088 0.000 0.814 136 A HN 0.425 8.650 8.150 0.125 0.000 0.444 137 Q N -2.341 117.480 119.800 0.035 0.000 2.167 137 Q HA -0.315 4.013 4.340 -0.020 0.000 0.202 137 Q C 2.585 178.430 176.000 -0.259 0.000 0.970 137 Q CA 3.264 59.049 55.803 -0.030 0.000 0.855 137 Q CB -0.151 28.646 28.738 0.099 0.000 0.911 137 Q HN -0.320 7.990 8.270 0.084 0.011 0.438 138 Q N -0.126 119.538 119.800 -0.226 0.000 1.942 138 Q HA -0.373 3.396 4.340 -0.951 0.000 0.203 138 Q C 2.339 178.230 176.000 -0.181 0.000 0.987 138 Q CA 3.656 59.245 55.803 -0.357 0.000 0.844 138 Q CB -0.156 28.574 28.738 -0.014 0.000 0.911 138 Q HN -0.507 7.619 8.270 -0.043 0.118 0.423 139 E N -1.725 118.436 120.200 -0.065 0.000 2.171 139 E HA -0.349 3.991 4.350 -0.017 0.000 0.197 139 E C 2.549 179.118 176.600 -0.052 0.000 0.997 139 E CA 3.350 59.730 56.400 -0.034 0.000 0.810 139 E CB -0.420 29.271 29.700 -0.015 0.000 0.738 139 E HN -0.459 7.879 8.360 -0.036 0.000 0.467 140 K N -1.592 118.767 120.400 -0.068 0.000 2.217 140 K HA -0.179 4.116 4.320 -0.043 0.000 0.202 140 K C 1.598 178.158 176.600 -0.067 0.000 1.051 140 K CA 1.964 58.217 56.287 -0.057 0.000 0.952 140 K CB -0.386 32.091 32.500 -0.039 0.000 0.736 140 K HN -0.303 7.804 8.250 -0.076 0.097 0.453 141 A N 0.312 123.053 122.820 -0.132 0.000 1.835 141 A HA -0.048 4.418 4.320 -0.030 -0.164 0.215 141 A C 1.839 179.559 177.584 0.226 0.000 1.199 141 A CA 3.140 55.144 52.037 -0.055 0.000 0.615 141 A CB -0.706 18.037 19.000 -0.428 0.000 0.838 141 A HN -0.032 7.735 8.150 -0.223 0.249 0.444 142 A N -4.241 118.718 122.820 0.231 0.000 2.066 142 A HA -0.311 3.740 4.320 -0.447 0.000 0.218 142 A C 0.753 178.217 177.584 -0.199 0.000 1.157 142 A CA 2.174 54.139 52.037 -0.120 0.000 0.670 142 A CB -0.271 18.629 19.000 -0.166 0.000 0.804 142 A HN -0.349 7.902 8.150 0.167 0.000 0.453 143 A N -3.368 119.389 122.820 -0.104 0.000 2.016 143 A HA -0.194 4.043 4.320 -0.138 0.000 0.217 143 A C 1.164 178.681 177.584 -0.112 0.000 1.162 143 A CA 2.003 53.973 52.037 -0.111 0.000 0.662 143 A CB -0.299 18.659 19.000 -0.070 0.000 0.812 143 A HN -0.304 7.691 8.150 -0.056 0.121 0.450 144 D N -2.755 117.590 120.400 -0.092 0.000 2.149 144 D HA -0.144 4.448 4.640 -0.079 0.000 0.206 144 D C 1.680 177.894 176.300 -0.143 0.000 0.967 144 D CA 1.915 55.862 54.000 -0.088 0.000 0.848 144 D CB 0.343 41.112 40.800 -0.051 0.000 0.998 144 D HN -0.250 7.872 8.370 -0.067 0.208 0.474 145 V N -6.019 113.773 119.914 -0.203 0.000 3.306 145 V HA 0.141 4.077 4.120 -0.306 0.000 0.264 145 V C 0.699 176.547 176.094 -0.409 0.000 1.149 145 V CA -0.039 62.033 62.300 -0.380 0.000 1.143 145 V CB 0.867 32.287 31.823 -0.673 0.000 0.767 145 V HN -0.459 7.645 8.190 -0.143 0.000 0.476 146 Q N -4.498 115.086 119.800 -0.360 0.000 4.538 146 Q HA -0.451 3.732 4.340 -0.293 -0.019 0.243 146 Q C -0.690 174.990 176.000 -0.535 0.000 2.482 146 Q CA 1.653 57.243 55.803 -0.355 0.000 0.400 146 Q CB -0.580 28.001 28.738 -0.262 0.000 0.289 146 Q HN -0.039 7.905 8.270 -0.296 0.149 0.632 147 L N -2.557 118.284 121.223 -0.637 0.000 0.809 147 L HA -0.267 3.756 4.340 -0.529 0.000 0.364 147 L C -2.051 174.404 176.870 -0.691 0.000 1.004 147 L CA 1.261 55.648 54.840 -0.756 0.000 1.222 147 L CB 0.207 41.543 42.059 -1.205 0.000 0.271 147 L HN -0.058 7.714 8.230 -0.586 0.107 0.176 148 R N 3.773 123.981 120.500 -0.488 0.000 2.430 148 R HA 0.185 4.035 4.340 -0.817 0.000 0.325 148 R C -1.633 174.593 176.300 -0.123 0.000 1.048 148 R CA -0.228 55.602 56.100 -0.450 0.000 1.183 148 R CB 1.086 31.243 30.300 -0.238 0.000 1.406 148 R HN 0.289 8.409 8.270 -0.249 0.000 0.694 149 G N -0.628 108.197 108.800 0.042 0.000 1.882 149 G HA2 -0.079 4.054 3.960 0.289 0.000 0.256 149 G HA3 -0.079 3.945 3.960 0.107 0.000 0.256 149 G C -2.396 172.658 174.900 0.256 0.000 2.065 149 G CA 0.447 45.674 45.100 0.212 0.000 0.882 149 G HN -0.587 7.670 8.290 -0.054 0.000 0.574 150 V N 0.013 120.115 119.914 0.314 0.000 2.539 150 V HA 0.469 4.794 4.120 0.197 -0.087 0.292 150 V C -0.915 175.250 176.094 0.118 0.000 1.045 150 V CA -4.840 57.573 62.300 0.188 0.000 0.945 150 V CB -0.240 31.643 31.823 0.100 0.000 0.993 150 V HN -0.169 8.225 8.190 0.340 0.000 0.464 151 P HA 0.298 4.879 4.420 0.075 -0.116 0.277 151 P C -1.723 175.569 177.300 -0.014 0.000 1.240 151 P CA -1.190 61.896 63.100 -0.022 0.000 0.798 151 P CB 0.994 32.516 31.700 -0.297 0.000 0.979 152 A N 0.334 123.214 122.820 0.100 0.000 2.435 152 A HA 0.449 4.729 4.320 -0.067 0.000 0.304 152 A C -2.388 175.260 177.584 0.106 0.000 1.064 152 A CA -0.950 51.145 52.037 0.097 0.000 0.727 152 A CB 4.016 23.211 19.000 0.324 0.000 1.284 152 A HN 0.800 8.958 8.150 0.200 0.111 0.415 153 M N 1.518 121.002 119.600 -0.193 0.000 2.326 153 M HA 1.040 5.879 4.480 0.161 -0.262 0.292 153 M C -1.949 174.146 176.300 -0.343 0.000 1.081 153 M CA -1.130 54.124 55.300 -0.077 0.000 0.919 153 M CB 4.381 36.946 32.600 -0.057 0.000 1.634 153 M HN 0.371 8.412 8.290 -0.415 0.000 0.451 154 F N 2.950 123.005 119.950 0.176 0.000 2.518 154 F HA 0.583 5.384 4.527 0.170 -0.172 0.323 154 F C -1.261 174.627 175.800 0.147 0.000 1.129 154 F CA -1.652 56.450 58.000 0.170 0.000 0.920 154 F CB 3.291 42.406 39.000 0.192 0.000 1.160 154 F HN 0.899 9.339 8.300 0.439 0.124 0.440 155 V N 3.386 123.483 119.914 0.304 0.000 2.407 155 V HA 0.222 4.707 4.120 0.193 -0.249 0.278 155 V C 0.918 177.166 176.094 0.257 0.000 1.037 155 V CA -1.894 60.553 62.300 0.245 0.000 0.900 155 V CB -0.161 31.786 31.823 0.207 0.000 0.983 155 V HN 1.415 9.647 8.190 0.306 0.142 0.459 156 N N 6.224 125.035 118.700 0.185 0.000 2.661 156 N HA -0.455 4.544 4.740 0.116 -0.189 0.249 156 N C -0.587 174.997 175.510 0.125 0.000 1.142 156 N CA 1.466 54.603 53.050 0.146 0.000 0.727 156 N CB -0.156 38.428 38.487 0.162 0.000 1.099 156 N HN 0.880 9.191 8.380 0.155 0.162 0.558 157 G N -5.747 103.150 108.800 0.162 0.000 2.359 157 G HA2 -0.432 3.634 3.960 0.177 0.000 0.298 157 G HA3 -0.432 3.568 3.960 0.067 0.000 0.298 157 G C -0.995 173.932 174.900 0.044 0.000 1.030 157 G CA 1.037 46.208 45.100 0.118 0.000 1.149 157 G HN 0.024 8.393 8.290 0.220 0.053 0.512 158 K N -2.272 118.139 120.400 0.019 0.000 2.765 158 K HA 0.131 4.327 4.320 -0.207 0.000 0.168 158 K C -2.198 174.119 176.600 -0.472 0.000 1.849 158 K CA 0.613 56.725 56.287 -0.291 0.000 1.350 158 K CB 2.736 34.942 32.500 -0.490 0.000 2.021 158 K HN -0.300 8.036 8.250 0.143 0.000 0.603 159 Y N -1.146 119.238 120.300 0.139 0.000 2.328 159 Y HA 0.339 4.939 4.550 0.085 0.000 0.337 159 Y C -1.873 174.087 175.900 0.100 0.000 0.966 159 Y CA -1.179 56.997 58.100 0.127 0.000 1.136 159 Y CB 2.178 40.736 38.460 0.163 0.000 1.170 159 Y HN -0.290 8.078 8.280 0.148 0.000 0.470 160 Q N 4.041 123.910 119.800 0.116 0.000 2.330 160 Q HA 0.874 5.253 4.340 -0.262 -0.196 0.269 160 Q C -1.666 174.279 176.000 -0.092 0.000 1.022 160 Q CA -2.055 53.622 55.803 -0.211 0.000 0.796 160 Q CB 4.149 32.517 28.738 -0.616 0.000 1.271 160 Q HN 0.488 8.821 8.270 0.105 0.000 0.450 161 L N 4.638 125.812 121.223 -0.082 0.000 2.425 161 L HA -0.075 4.374 4.340 0.182 0.000 0.225 161 L C 0.212 177.059 176.870 -0.039 0.000 1.222 161 L CA 0.805 55.663 54.840 0.030 0.000 0.832 161 L CB 0.549 42.613 42.059 0.009 0.000 1.238 161 L HN -0.157 7.986 8.230 -0.144 0.000 0.533 162 N N -2.428 116.287 118.700 0.024 0.000 2.711 162 N HA 0.342 5.054 4.740 -0.047 0.000 0.263 162 N C -2.209 173.311 175.510 0.017 0.000 1.667 162 N CA -1.897 51.154 53.050 0.002 0.000 0.785 162 N CB 0.750 39.257 38.487 0.033 0.000 1.231 162 N HN 0.212 8.641 8.380 0.082 0.000 0.503 163 P HA 0.322 4.770 4.420 0.047 0.000 0.226 163 P C -0.747 176.462 177.300 -0.152 0.000 1.783 163 P CA -0.502 62.567 63.100 -0.051 0.000 0.980 163 P CB -1.755 29.888 31.700 -0.095 0.000 1.967 164 Q N 0.237 119.995 119.800 -0.071 0.000 3.135 164 Q HA 0.085 4.409 4.340 -0.027 0.000 0.344 164 Q C -0.152 175.834 176.000 -0.023 0.000 1.321 164 Q CA -0.980 54.803 55.803 -0.034 0.000 1.050 164 Q CB -1.351 27.392 28.738 0.008 0.000 1.498 164 Q HN -0.303 7.891 8.270 -0.024 0.062 0.503 165 G N 2.164 110.905 108.800 -0.100 0.000 2.462 165 G HA2 -0.303 3.640 3.960 -0.028 0.000 0.283 165 G HA3 -0.303 3.694 3.960 0.061 0.000 0.283 165 G C 0.014 174.880 174.900 -0.057 0.000 1.043 165 G CA 0.268 45.353 45.100 -0.025 0.000 1.300 165 G HN -0.207 7.847 8.290 -0.294 0.060 0.518 166 M N 1.814 121.340 119.600 -0.123 0.000 2.086 166 M HA -0.263 4.211 4.480 -0.009 0.000 0.261 166 M C 0.536 176.806 176.300 -0.050 0.000 1.067 166 M CA 1.626 56.891 55.300 -0.060 0.000 1.116 166 M CB 0.390 32.959 32.600 -0.052 0.000 1.348 166 M HN -0.419 7.732 8.290 -0.232 0.000 0.407 167 D N -4.067 116.280 120.400 -0.089 0.000 2.772 167 D HA -0.183 4.418 4.640 -0.065 0.000 0.233 167 D C 0.009 176.292 176.300 -0.028 0.000 1.143 167 D CA 0.639 54.608 54.000 -0.052 0.000 0.700 167 D CB -0.113 40.672 40.800 -0.025 0.000 1.076 167 D HN -0.294 7.982 8.370 -0.156 0.000 0.430 168 T N -3.417 111.124 114.554 -0.021 0.000 3.163 168 T HA -0.145 4.215 4.350 0.015 0.000 0.260 168 T C 0.064 174.770 174.700 0.010 0.000 1.156 168 T CA 1.437 63.546 62.100 0.015 0.000 1.072 168 T CB 0.306 69.208 68.868 0.058 0.000 0.937 168 T HN -0.368 7.830 8.240 -0.048 0.013 0.528 169 S N 0.248 115.944 115.700 -0.006 0.000 3.698 169 S HA -0.338 4.124 4.470 -0.013 0.000 0.338 169 S C -1.538 173.069 174.600 0.012 0.000 1.089 169 S CA 0.980 59.178 58.200 -0.003 0.000 0.991 169 S CB -0.559 62.641 63.200 -0.000 0.000 0.909 169 S HN -0.094 8.121 8.310 -0.025 0.080 0.485 170 N N -0.256 118.459 118.700 0.025 0.000 2.785 170 N HA 0.142 4.904 4.740 0.036 0.000 0.224 170 N C -0.159 175.402 175.510 0.085 0.000 1.448 170 N CA 0.351 53.431 53.050 0.049 0.000 0.748 170 N CB 0.284 38.806 38.487 0.059 0.000 1.385 170 N HN -0.182 8.200 8.380 0.016 0.009 0.538 171 M N 1.149 120.786 119.600 0.061 0.000 2.435 171 M HA -0.427 4.131 4.480 0.130 0.000 0.262 171 M C 1.313 177.695 176.300 0.137 0.000 1.065 171 M CA 3.291 58.650 55.300 0.097 0.000 1.076 171 M CB -0.410 32.213 32.600 0.038 0.000 1.403 171 M HN 0.466 8.774 8.290 0.031 0.000 0.454 172 D N 0.399 120.856 120.400 0.095 0.000 2.120 172 D HA -0.108 4.576 4.640 0.073 0.000 0.202 172 D C 2.329 178.683 176.300 0.090 0.000 0.972 172 D CA 3.489 57.535 54.000 0.078 0.000 0.837 172 D CB -0.002 40.827 40.800 0.048 0.000 0.989 172 D HN -0.419 8.012 8.370 0.074 -0.016 0.469 173 V N 0.310 120.285 119.914 0.100 0.000 2.667 173 V HA -0.320 3.837 4.120 0.062 0.000 0.252 173 V C 1.658 177.836 176.094 0.140 0.000 1.065 173 V CA 3.055 65.412 62.300 0.095 0.000 1.083 173 V CB -0.063 31.810 31.823 0.083 0.000 0.692 173 V HN 0.133 8.676 8.190 0.096 -0.295 0.468 174 F N 1.790 121.769 119.950 0.048 0.000 2.163 174 F HA -0.252 4.329 4.527 0.089 0.000 0.297 174 F C 1.394 177.266 175.800 0.119 0.000 1.094 174 F CA 4.407 62.451 58.000 0.074 0.000 1.290 174 F CB 0.240 39.264 39.000 0.040 0.000 1.017 174 F HN -0.011 8.352 8.300 0.294 0.114 0.483 175 V N -0.783 119.205 119.914 0.124 0.000 2.667 175 V HA -0.387 3.761 4.120 0.046 0.000 0.252 175 V C 2.105 178.186 176.094 -0.021 0.000 1.065 175 V CA 3.178 65.508 62.300 0.050 0.000 1.083 175 V CB -0.544 31.331 31.823 0.088 0.000 0.692 175 V HN -0.440 7.882 8.190 0.220 0.000 0.468 176 Q N -0.558 119.238 119.800 -0.007 0.000 2.061 176 Q HA -0.212 4.100 4.340 -0.048 0.000 0.195 176 Q C 2.168 178.148 176.000 -0.034 0.000 0.967 176 Q CA 3.348 59.135 55.803 -0.026 0.000 0.829 176 Q CB -0.026 28.713 28.738 0.002 0.000 0.900 176 Q HN -0.382 7.887 8.270 0.031 0.019 0.450 177 Q N 0.238 120.036 119.800 -0.005 0.000 2.096 177 Q HA -0.329 4.072 4.340 0.102 0.000 0.204 177 Q C 2.088 178.096 176.000 0.015 0.000 0.982 177 Q CA 3.439 59.272 55.803 0.049 0.000 0.850 177 Q CB -0.211 28.569 28.738 0.070 0.000 0.901 177 Q HN 0.291 8.445 8.270 0.008 0.121 0.422 178 Y N 1.652 121.783 120.300 -0.282 0.000 2.089 178 Y HA -0.219 4.167 4.550 -0.274 0.000 0.282 178 Y C 2.313 178.099 175.900 -0.191 0.000 1.139 178 Y CA 1.820 59.723 58.100 -0.330 0.000 1.123 178 Y CB -0.532 37.572 38.460 -0.594 0.000 0.980 178 Y HN -0.144 7.933 8.280 -0.160 0.107 0.493 179 A N -2.589 119.917 122.820 -0.523 0.000 2.042 179 A HA -0.507 3.321 4.320 -0.819 0.000 0.222 179 A C 1.645 179.021 177.584 -0.347 0.000 1.167 179 A CA 3.018 54.730 52.037 -0.541 0.000 0.649 179 A CB -0.918 17.907 19.000 -0.291 0.000 0.809 179 A HN -0.322 7.655 8.150 -0.288 0.000 0.457 180 D N -2.364 117.904 120.400 -0.219 0.000 2.120 180 D HA -0.188 4.367 4.640 -0.142 0.000 0.202 180 D C 1.724 177.887 176.300 -0.227 0.000 0.972 180 D CA 2.547 56.455 54.000 -0.153 0.000 0.837 180 D CB -0.118 40.661 40.800 -0.035 0.000 0.989 180 D HN -0.318 7.793 8.370 -0.173 0.155 0.469 181 T N 2.168 116.575 114.554 -0.244 0.000 2.653 181 T HA -0.412 3.610 4.350 -0.546 0.000 0.268 181 T C 2.336 176.838 174.700 -0.329 0.000 1.035 181 T CA 4.020 65.919 62.100 -0.335 0.000 1.154 181 T CB -0.606 68.184 68.868 -0.131 0.000 0.862 181 T HN 0.242 8.321 8.240 -0.148 0.072 0.441 182 V N 1.073 120.816 119.914 -0.286 0.000 2.591 182 V HA -0.339 3.649 4.120 -0.219 0.000 0.249 182 V C 1.780 177.722 176.094 -0.254 0.000 1.053 182 V CA 3.630 65.776 62.300 -0.256 0.000 1.068 182 V CB -0.821 30.840 31.823 -0.269 0.000 0.689 182 V HN -0.313 7.674 8.190 -0.339 -0.000 0.462 183 K N -0.987 119.271 120.400 -0.237 0.000 2.097 183 K HA -0.273 3.957 4.320 -0.151 0.000 0.205 183 K C 1.827 178.346 176.600 -0.136 0.000 1.050 183 K CA 3.188 59.376 56.287 -0.164 0.000 0.938 183 K CB 0.081 32.501 32.500 -0.134 0.000 0.718 183 K HN -0.662 7.334 8.250 -0.262 0.097 0.442 184 Y N -1.343 118.798 120.300 -0.266 0.000 2.269 184 Y HA -0.068 4.528 4.550 -0.205 -0.169 0.294 184 Y C 1.757 177.490 175.900 -0.279 0.000 1.120 184 Y CA 1.181 59.117 58.100 -0.274 0.000 1.159 184 Y CB 0.823 39.059 38.460 -0.373 0.000 1.024 184 Y HN 0.081 8.167 8.280 -0.151 0.104 0.532 185 L N -0.586 119.907 121.223 -1.216 0.000 2.265 185 L HA -0.419 2.934 4.340 -1.644 0.000 0.215 185 L C 2.460 179.009 176.870 -0.536 0.000 1.117 185 L CA 2.593 56.743 54.840 -1.151 0.000 0.782 185 L CB -1.053 40.511 42.059 -0.825 0.000 0.914 185 L HN 0.019 7.694 8.230 -0.926 0.000 0.441 186 S N -0.551 114.943 115.700 -0.343 0.000 2.507 186 S HA -0.205 4.304 4.470 -0.137 -0.121 0.235 186 S C 1.546 176.065 174.600 -0.136 0.000 0.988 186 S CA 2.010 60.105 58.200 -0.176 0.000 0.944 186 S CB -0.232 62.891 63.200 -0.127 0.000 0.762 186 S HN -0.278 7.783 8.310 -0.354 0.036 0.526 187 E N 0.320 120.423 120.200 -0.161 0.000 2.481 187 E HA -0.164 4.163 4.350 -0.039 0.000 0.195 187 E C 1.326 177.891 176.600 -0.058 0.000 1.047 187 E CA 1.167 57.529 56.400 -0.063 0.000 0.867 187 E CB -0.227 29.486 29.700 0.022 0.000 0.858 187 E HN 0.107 8.098 8.360 -0.254 0.216 0.513 188 K N -2.601 117.718 120.400 -0.135 0.000 2.074 188 K HA -0.220 4.080 4.320 -0.034 0.000 0.209 188 K C 0.478 177.087 176.600 0.014 0.000 1.048 188 K CA 1.626 57.875 56.287 -0.063 0.000 0.926 188 K CB 0.190 32.642 32.500 -0.079 0.000 0.713 188 K HN -0.166 7.746 8.250 -0.243 0.192 0.444 189 K N 0.000 120.404 120.400 0.006 0.000 2.780 189 K HA 0.000 4.332 4.320 0.020 0.000 0.191 189 K CA 0.000 56.301 56.287 0.023 0.000 0.838 189 K CB 0.000 32.528 32.500 0.046 0.000 1.064 189 K HN 0.000 8.233 8.250 -0.020 0.005 0.543