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 1mw4_5_A DATA FIRST_RESID 1 DATA SEQUENCE GSPASGTSLS AAIHRTQLWF HGRISREESQ RLIGQQGLVD GLFLVRESQR DATA SEQUENCE NPQGFVLSLC HLQKVKHYLI LPSEEEGRLY FSMDDGQTRF TDLLQLVEFH DATA SEQUENCE QLNRGILPCL LRHCCTRVAL 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 3.957 3.960 -0.006 0.000 0.244 1 G C 0.000 174.895 174.900 -0.008 0.000 0.946 1 G CA 0.000 45.097 45.100 -0.006 0.000 0.502 2 S N 0.292 115.987 115.700 -0.008 0.000 2.345 2 S HA 0.060 4.524 4.470 -0.010 0.000 0.220 2 S C -0.849 173.743 174.600 -0.014 0.000 1.031 2 S CA 0.946 59.140 58.200 -0.010 0.000 0.996 2 S CB -0.075 63.120 63.200 -0.009 0.000 0.882 2 S HN -0.183 8.123 8.310 -0.007 0.000 0.445 3 P HA 0.019 4.424 4.420 -0.026 0.000 0.271 3 P C -1.816 175.472 177.300 -0.020 0.000 1.216 3 P CA -0.161 62.927 63.100 -0.020 0.000 0.776 3 P CB 0.781 32.471 31.700 -0.017 0.000 0.881 4 A N 1.937 124.741 122.820 -0.026 0.000 2.593 4 A HA 0.145 4.454 4.320 -0.019 0.000 0.304 4 A C -0.026 177.540 177.584 -0.030 0.000 1.233 4 A CA -0.333 51.690 52.037 -0.024 0.000 0.661 4 A CB 1.461 20.448 19.000 -0.022 0.000 1.338 4 A HN -0.436 7.694 8.150 -0.033 0.000 0.495 5 S N -0.795 114.889 115.700 -0.027 0.000 2.346 5 S HA 0.026 4.477 4.470 -0.032 0.000 0.204 5 S C 1.008 175.586 174.600 -0.037 0.000 1.008 5 S CA 0.985 59.168 58.200 -0.029 0.000 0.925 5 S CB 0.210 63.398 63.200 -0.020 0.000 0.903 5 S HN 0.225 8.522 8.310 -0.022 0.000 0.537 6 G N -0.884 107.897 108.800 -0.031 0.000 2.409 6 G HA2 -0.145 3.796 3.960 -0.032 0.000 0.421 6 G HA3 -0.145 3.789 3.960 -0.044 0.000 0.421 6 G C -2.023 172.860 174.900 -0.028 0.000 1.259 6 G CA -0.773 44.306 45.100 -0.034 0.000 1.011 6 G HN -0.418 7.857 8.290 -0.025 0.000 0.497 7 T N -3.642 110.895 114.554 -0.029 0.000 2.916 7 T HA 0.208 4.547 4.350 -0.018 0.000 0.292 7 T C -0.282 174.405 174.700 -0.021 0.000 1.055 7 T CA -1.158 60.929 62.100 -0.022 0.000 1.009 7 T CB 2.964 71.821 68.868 -0.018 0.000 1.118 7 T HN -0.069 8.151 8.240 -0.035 0.000 0.497 8 S N 2.988 118.679 115.700 -0.014 0.000 2.611 8 S HA -0.176 4.289 4.470 -0.008 0.000 0.317 8 S C -0.537 174.058 174.600 -0.009 0.000 1.208 8 S CA 0.809 59.004 58.200 -0.009 0.000 1.217 8 S CB -0.330 62.866 63.200 -0.006 0.000 1.085 8 S HN 0.197 8.499 8.310 -0.012 0.000 0.529 9 L N 5.225 126.444 121.223 -0.008 0.000 2.543 9 L HA 0.240 4.577 4.340 -0.004 0.000 0.265 9 L C -1.701 175.177 176.870 0.014 0.000 0.945 9 L CA 0.494 55.330 54.840 -0.006 0.000 0.869 9 L CB 1.915 43.963 42.059 -0.019 0.000 1.294 9 L HN -0.257 7.968 8.230 -0.009 0.000 0.405 10 S N 4.628 120.341 115.700 0.021 0.000 2.566 10 S HA 0.222 4.769 4.470 0.128 0.000 0.298 10 S C -0.840 173.768 174.600 0.013 0.000 1.083 10 S CA -0.895 57.334 58.200 0.048 0.000 0.978 10 S CB 1.301 64.509 63.200 0.014 0.000 1.073 10 S HN 0.030 8.344 8.310 0.006 0.000 0.491 11 A N 4.170 126.998 122.820 0.014 0.000 2.263 11 A HA 0.370 4.694 4.320 0.006 0.000 0.318 11 A C -1.589 176.006 177.584 0.019 0.000 1.111 11 A CA -0.075 51.969 52.037 0.012 0.000 0.901 11 A CB 1.063 20.067 19.000 0.006 0.000 1.280 11 A HN 0.557 8.732 8.150 0.042 0.000 0.503 12 A N -1.229 121.641 122.820 0.083 0.000 2.515 12 A HA 0.147 4.529 4.320 0.104 0.000 0.253 12 A C -0.630 177.094 177.584 0.233 0.000 0.863 12 A CA 0.032 52.148 52.037 0.130 0.000 1.124 12 A CB 0.873 19.898 19.000 0.042 0.000 1.214 12 A HN 0.252 8.443 8.150 0.069 0.000 0.470 13 I N 1.022 121.709 120.570 0.194 0.000 2.528 13 I HA -0.064 4.107 4.170 0.002 0.000 0.276 13 I C -1.890 174.036 176.117 -0.319 0.000 1.056 13 I CA -0.082 61.186 61.300 -0.054 0.000 1.858 13 I CB -0.998 36.926 38.000 -0.127 0.000 1.448 13 I HN -0.155 8.164 8.210 0.182 0.000 0.776 14 H N 3.431 122.502 119.070 0.002 0.000 2.865 14 H HA 0.379 4.951 4.556 0.027 0.000 0.362 14 H C -0.815 174.523 175.328 0.016 0.000 1.114 14 H CA -0.602 55.455 56.048 0.015 0.000 1.208 14 H CB 1.986 31.754 29.762 0.010 0.000 1.727 14 H HN -0.036 8.317 8.280 0.254 0.080 0.534 15 R N 1.336 121.909 120.500 0.122 0.000 2.549 15 R HA 0.152 4.541 4.340 0.081 0.000 0.399 15 R C -0.664 175.684 176.300 0.080 0.000 0.964 15 R CA 0.285 56.433 56.100 0.081 0.000 1.173 15 R CB 0.821 31.150 30.300 0.048 0.000 1.535 15 R HN 0.526 8.860 8.270 0.107 0.000 0.551 16 T N -3.159 111.460 114.554 0.110 0.000 2.565 16 T HA 0.145 4.547 4.350 0.087 0.000 0.253 16 T C -0.715 174.073 174.700 0.146 0.000 0.868 16 T CA -0.853 61.314 62.100 0.111 0.000 1.213 16 T CB 0.879 69.812 68.868 0.108 0.000 1.518 16 T HN -0.724 7.602 8.240 0.142 0.000 0.474 17 Q N -0.370 119.537 119.800 0.180 0.000 2.244 17 Q HA 0.156 4.597 4.340 0.168 0.000 0.239 17 Q C -0.571 175.672 176.000 0.405 0.000 0.890 17 Q CA -0.532 55.401 55.803 0.218 0.000 0.964 17 Q CB -1.159 27.676 28.738 0.162 0.000 1.076 17 Q HN 0.182 8.557 8.270 0.175 0.000 0.447 18 L N -0.267 121.179 121.223 0.372 0.000 2.516 18 L HA -0.094 4.456 4.340 0.349 0.000 0.288 18 L C 0.844 178.039 176.870 0.543 0.000 1.246 18 L CA 0.413 55.490 54.840 0.395 0.000 0.844 18 L CB 0.534 42.756 42.059 0.271 0.000 1.106 18 L HN -0.513 7.763 8.230 0.271 0.116 0.509 19 W N -0.034 121.379 121.300 0.188 0.000 1.290 19 W HA 0.290 5.011 4.660 0.102 0.000 0.304 19 W C -2.606 174.057 176.519 0.241 0.000 0.858 19 W CA -1.990 55.443 57.345 0.146 0.000 1.894 19 W CB -0.515 28.992 29.460 0.077 0.000 1.934 19 W HN 0.178 8.174 8.180 -0.307 0.000 0.472 20 F N 3.284 123.260 119.950 0.043 0.000 2.507 20 F HA 0.941 5.717 4.527 -0.053 -0.280 0.325 20 F C -2.159 173.782 175.800 0.236 0.000 1.116 20 F CA -3.117 54.897 58.000 0.022 0.000 0.930 20 F CB 2.895 41.818 39.000 -0.128 0.000 1.146 20 F HN -0.350 8.194 8.300 0.406 0.000 0.447 21 H N 7.033 125.946 119.070 -0.262 0.000 2.980 21 H HA 0.254 4.467 4.556 -0.571 0.000 0.367 21 H C -1.236 173.839 175.328 -0.421 0.000 1.206 21 H CA -1.706 54.086 56.048 -0.426 0.000 1.126 21 H CB 4.542 34.215 29.762 -0.149 0.000 1.838 21 H HN -0.171 8.302 8.280 0.322 0.000 0.552 22 G N 0.515 109.030 108.800 -0.475 0.000 2.593 22 G HA2 0.078 3.860 3.960 -0.297 0.000 0.212 22 G HA3 0.078 3.832 3.960 -0.345 0.000 0.212 22 G C -1.148 173.468 174.900 -0.474 0.000 1.934 22 G CA -0.527 44.327 45.100 -0.409 0.000 0.861 22 G HN 0.243 8.352 8.290 -0.301 0.000 0.629 23 R N 2.572 122.812 120.500 -0.434 0.000 2.435 23 R HA -0.158 4.025 4.340 -0.262 0.000 0.325 23 R C -1.080 174.956 176.300 -0.440 0.000 1.149 23 R CA 0.588 56.483 56.100 -0.341 0.000 0.995 23 R CB -0.653 29.522 30.300 -0.209 0.000 1.008 23 R HN 0.080 8.137 8.270 -0.354 0.000 0.470 24 I N 5.962 126.324 120.570 -0.347 0.000 2.531 24 I HA 0.123 4.186 4.170 -0.179 0.000 0.283 24 I C -1.337 174.696 176.117 -0.141 0.000 1.083 24 I CA -1.579 59.582 61.300 -0.231 0.000 1.071 24 I CB 2.703 40.586 38.000 -0.194 0.000 1.210 24 I HN -0.377 7.659 8.210 -0.290 0.000 0.450 25 S N 8.264 123.910 115.700 -0.090 0.000 3.555 25 S HA -0.221 4.200 4.470 -0.080 0.000 0.420 25 S C 1.108 175.663 174.600 -0.074 0.000 0.955 25 S CA 1.236 59.395 58.200 -0.067 0.000 1.808 25 S CB 0.091 63.275 63.200 -0.027 0.000 1.057 25 S HN 0.386 8.650 8.310 -0.077 0.000 0.617 26 R N 7.509 127.911 120.500 -0.164 0.000 2.112 26 R HA -0.458 3.545 4.340 -0.562 0.000 0.242 26 R C 1.689 177.994 176.300 0.008 0.000 1.137 26 R CA 3.391 59.300 56.100 -0.318 0.000 0.944 26 R CB -0.666 29.388 30.300 -0.410 0.000 0.857 26 R HN 0.358 8.529 8.270 -0.165 0.000 0.435 27 E N -2.384 117.829 120.200 0.022 0.000 2.070 27 E HA -0.287 4.128 4.350 0.109 0.000 0.197 27 E C 1.182 177.835 176.600 0.088 0.000 1.004 27 E CA 2.867 59.310 56.400 0.072 0.000 0.805 27 E CB -0.981 28.739 29.700 0.035 0.000 0.744 27 E HN 0.370 8.715 8.360 -0.024 0.000 0.451 28 E N -2.834 117.402 120.200 0.060 0.000 2.230 28 E HA -0.045 4.340 4.350 0.057 0.000 0.192 28 E C 2.372 179.026 176.600 0.091 0.000 0.987 28 E CA 1.456 57.892 56.400 0.061 0.000 0.841 28 E CB -0.324 29.398 29.700 0.036 0.000 0.783 28 E HN 0.066 8.446 8.360 0.034 0.000 0.481 29 S N 2.499 118.274 115.700 0.125 0.000 2.374 29 S HA -0.459 4.092 4.470 0.135 0.000 0.227 29 S C 1.488 176.201 174.600 0.189 0.000 1.037 29 S CA 4.054 62.365 58.200 0.184 0.000 1.024 29 S CB -0.324 63.044 63.200 0.281 0.000 0.861 29 S HN 0.659 8.798 8.310 0.098 0.229 0.456 30 Q N -0.949 118.970 119.800 0.199 0.000 2.291 30 Q HA -0.347 4.024 4.340 0.053 0.000 0.206 30 Q C 1.691 177.730 176.000 0.065 0.000 0.976 30 Q CA 2.797 58.658 55.803 0.095 0.000 0.875 30 Q CB -0.331 28.454 28.738 0.078 0.000 0.927 30 Q HN -0.477 7.943 8.270 0.264 0.009 0.450 31 R N -0.516 120.026 120.500 0.070 0.000 2.093 31 R HA -0.166 4.196 4.340 0.036 0.000 0.224 31 R C 1.518 177.845 176.300 0.045 0.000 1.101 31 R CA 2.430 58.558 56.100 0.047 0.000 0.979 31 R CB -0.511 29.814 30.300 0.043 0.000 0.877 31 R HN -0.093 8.045 8.270 0.087 0.184 0.441 32 L N -2.027 119.231 121.223 0.058 0.000 2.034 32 L HA -0.123 4.242 4.340 0.042 0.000 0.203 32 L C 2.093 178.996 176.870 0.055 0.000 1.074 32 L CA 2.923 57.795 54.840 0.054 0.000 0.748 32 L CB 0.164 42.261 42.059 0.063 0.000 0.905 32 L HN -0.810 7.374 8.230 0.072 0.089 0.439 33 I N -3.839 116.774 120.570 0.072 0.000 3.176 33 I HA -0.226 3.982 4.170 0.063 0.000 0.275 33 I C 0.771 176.916 176.117 0.045 0.000 1.298 33 I CA 1.277 62.618 61.300 0.068 0.000 1.445 33 I CB -0.704 37.352 38.000 0.093 0.000 1.075 33 I HN 0.043 8.307 8.210 0.090 0.000 0.482 34 G N -3.253 105.569 108.800 0.036 0.000 3.448 34 G HA2 -0.076 3.890 3.960 0.011 0.000 0.261 34 G HA3 -0.076 4.065 3.960 0.013 -0.173 0.261 34 G C -0.700 174.207 174.900 0.012 0.000 1.173 34 G CA 0.072 45.183 45.100 0.017 0.000 0.835 34 G HN -0.379 7.759 8.290 0.044 0.178 0.534 35 Q N -2.817 116.994 119.800 0.018 0.000 2.317 35 Q HA -0.008 4.337 4.340 0.008 0.000 0.220 35 Q C 0.807 176.814 176.000 0.011 0.000 0.873 35 Q CA -0.663 55.148 55.803 0.013 0.000 0.936 35 Q CB -0.189 28.559 28.738 0.017 0.000 1.105 35 Q HN -0.692 7.488 8.270 0.026 0.106 0.520 36 Q N 1.879 121.688 119.800 0.016 0.000 2.332 36 Q HA -0.064 4.283 4.340 0.013 0.000 0.263 36 Q C 0.805 176.809 176.000 0.008 0.000 0.979 36 Q CA 0.407 56.218 55.803 0.015 0.000 0.885 36 Q CB 0.575 29.327 28.738 0.023 0.000 1.218 36 Q HN -0.878 7.363 8.270 0.021 0.042 0.405 37 G N 2.045 110.848 108.800 0.006 0.000 3.371 37 G HA2 0.155 4.115 3.960 -0.000 0.000 0.248 37 G HA3 0.155 4.116 3.960 0.001 0.000 0.248 37 G C -0.355 174.548 174.900 0.005 0.000 1.161 37 G CA -0.562 44.540 45.100 0.003 0.000 0.796 37 G HN 0.301 8.594 8.290 0.006 0.000 0.539 38 L N -0.394 120.833 121.223 0.007 0.000 2.479 38 L HA 0.188 4.529 4.340 0.001 0.000 0.249 38 L C 0.219 177.098 176.870 0.015 0.000 1.178 38 L CA -0.492 54.351 54.840 0.005 0.000 0.811 38 L CB 0.476 42.534 42.059 -0.001 0.000 1.187 38 L HN -0.373 7.777 8.230 0.009 0.086 0.480 39 V N -4.435 115.484 119.914 0.008 0.000 3.596 39 V HA 0.039 4.186 4.120 0.045 0.000 0.288 39 V C 0.065 176.176 176.094 0.028 0.000 1.021 39 V CA -1.241 61.072 62.300 0.021 0.000 1.020 39 V CB 0.944 32.765 31.823 -0.003 0.000 1.243 39 V HN -0.136 8.051 8.190 -0.006 0.000 0.433 40 D N 1.063 121.485 120.400 0.036 0.000 2.911 40 D HA -0.153 4.707 4.640 0.080 -0.172 0.233 40 D C -0.204 176.073 176.300 -0.037 0.000 1.134 40 D CA 1.636 55.651 54.000 0.025 0.000 1.011 40 D CB -2.423 38.362 40.800 -0.025 0.000 1.174 40 D HN 0.333 8.725 8.370 0.035 0.000 0.440 41 G N -3.239 105.524 108.800 -0.063 0.000 3.581 41 G HA2 0.179 4.071 3.960 -0.171 0.000 0.248 41 G HA3 0.179 4.109 3.960 -0.125 -0.044 0.248 41 G C -1.291 173.468 174.900 -0.236 0.000 1.037 41 G CA 0.184 45.193 45.100 -0.152 0.000 0.902 41 G HN 0.557 8.720 8.290 -0.029 0.109 0.512 42 L N 2.119 123.283 121.223 -0.098 0.000 2.288 42 L HA 0.715 5.296 4.340 -0.050 -0.271 0.283 42 L C -0.771 176.161 176.870 0.104 0.000 1.072 42 L CA -0.773 54.055 54.840 -0.020 0.000 0.862 42 L CB -1.342 40.728 42.059 0.017 0.000 1.245 42 L HN -0.752 7.452 8.230 -0.043 0.000 0.432 43 F N 2.113 122.025 119.950 -0.063 0.000 2.618 43 F HA 0.695 5.343 4.527 -0.011 -0.128 0.332 43 F C -2.835 172.977 175.800 0.020 0.000 1.061 43 F CA -4.745 53.223 58.000 -0.053 0.000 0.974 43 F CB 2.037 40.938 39.000 -0.165 0.000 1.310 43 F HN -0.594 7.847 8.300 0.234 0.000 0.491 44 L N -2.780 118.559 121.223 0.194 0.000 2.434 44 L HA 0.357 4.894 4.340 0.328 0.000 0.260 44 L C -1.872 175.090 176.870 0.154 0.000 0.983 44 L CA -1.666 53.308 54.840 0.223 0.000 0.820 44 L CB 4.615 46.828 42.059 0.257 0.000 1.361 44 L HN 0.801 9.023 8.230 0.194 0.125 0.410 45 V N 5.075 125.119 119.914 0.216 0.000 2.192 45 V HA 0.202 4.494 4.120 0.078 -0.125 0.264 45 V C -1.456 174.774 176.094 0.227 0.000 1.155 45 V CA -1.179 61.172 62.300 0.086 0.000 1.005 45 V CB -1.753 29.979 31.823 -0.152 0.000 1.201 45 V HN -0.044 8.411 8.190 0.442 0.000 0.468 46 R N 3.899 124.542 120.500 0.238 0.000 2.797 46 R HA 0.905 5.664 4.340 0.308 -0.234 0.251 46 R C -1.161 175.229 176.300 0.150 0.000 1.107 46 R CA -2.159 54.077 56.100 0.226 0.000 1.084 46 R CB 3.293 33.689 30.300 0.160 0.000 1.205 46 R HN -0.049 8.352 8.270 0.219 0.000 0.515 47 E N -1.203 119.015 120.200 0.029 0.000 2.334 47 E HA 0.330 4.736 4.350 -0.014 -0.064 0.200 47 E C -2.024 174.484 176.600 -0.153 0.000 0.855 47 E CA -1.212 55.142 56.400 -0.077 0.000 0.882 47 E CB 2.728 32.267 29.700 -0.268 0.000 1.993 47 E HN 0.702 8.942 8.360 -0.035 0.099 0.412 48 S N -1.522 114.074 115.700 -0.174 0.000 2.540 48 S HA 0.455 4.928 4.470 -0.187 -0.116 0.275 48 S C -0.088 174.423 174.600 -0.148 0.000 1.123 48 S CA -1.092 57.014 58.200 -0.157 0.000 0.907 48 S CB 3.357 66.490 63.200 -0.111 0.000 1.081 48 S HN 0.505 8.599 8.310 -0.203 0.094 0.476 49 Q N 1.524 121.241 119.800 -0.138 0.000 2.246 49 Q HA 0.101 4.381 4.340 -0.100 0.000 0.202 49 Q C -0.287 175.672 176.000 -0.067 0.000 0.883 49 Q CA 0.675 56.416 55.803 -0.103 0.000 0.952 49 Q CB -0.181 28.492 28.738 -0.108 0.000 1.078 49 Q HN 0.392 8.572 8.270 -0.150 0.000 0.493 50 R N -1.429 119.032 120.500 -0.064 0.000 2.142 50 R HA 0.054 4.371 4.340 -0.038 0.000 0.204 50 R C -0.236 176.047 176.300 -0.027 0.000 1.059 50 R CA 0.207 56.281 56.100 -0.044 0.000 1.055 50 R CB 0.767 31.038 30.300 -0.048 0.000 0.976 50 R HN 0.014 8.136 8.270 -0.079 0.101 0.483 51 N N 1.618 120.303 118.700 -0.025 0.000 2.458 51 N HA 0.216 4.953 4.740 -0.005 0.000 0.270 51 N C -1.192 174.331 175.510 0.021 0.000 1.102 51 N CA -1.500 51.548 53.050 -0.003 0.000 0.967 51 N CB 0.099 38.588 38.487 0.002 0.000 1.078 51 N HN -0.731 7.625 8.380 -0.040 0.000 0.471 52 P HA -0.259 4.179 4.420 0.030 0.000 0.218 52 P C -1.251 176.097 177.300 0.080 0.000 1.150 52 P CA 1.640 64.761 63.100 0.034 0.000 0.841 52 P CB 0.080 31.789 31.700 0.015 0.000 0.784 53 Q N -4.537 115.320 119.800 0.094 0.000 3.394 53 Q HA 0.143 4.674 4.340 0.318 0.000 0.285 53 Q C -1.380 174.759 176.000 0.232 0.000 0.866 53 Q CA -1.554 54.356 55.803 0.180 0.000 0.844 53 Q CB -0.029 28.733 28.738 0.040 0.000 1.472 53 Q HN -0.446 7.825 8.270 0.059 0.034 0.401 54 G N 1.202 110.139 108.800 0.229 0.000 4.126 54 G HA2 0.321 4.339 3.960 0.096 0.000 0.282 54 G HA3 0.321 4.290 3.960 0.015 0.000 0.282 54 G C -2.469 172.489 174.900 0.096 0.000 1.221 54 G CA -0.715 44.452 45.100 0.112 0.000 1.527 54 G HN -0.119 8.283 8.290 0.187 0.000 0.612 55 F N 2.796 122.738 119.950 -0.013 0.000 2.391 55 F HA 0.131 4.705 4.527 0.078 0.000 0.359 55 F C -1.438 174.391 175.800 0.049 0.000 1.122 55 F CA -0.976 57.042 58.000 0.030 0.000 1.120 55 F CB 1.130 40.135 39.000 0.008 0.000 1.142 55 F HN -0.671 7.907 8.300 0.545 0.049 0.483 56 V N -0.498 119.559 119.914 0.238 0.000 2.960 56 V HA 0.595 5.220 4.120 0.323 -0.311 0.315 56 V C -2.029 174.265 176.094 0.334 0.000 1.087 56 V CA -3.742 58.731 62.300 0.289 0.000 0.982 56 V CB 3.761 35.718 31.823 0.224 0.000 1.039 56 V HN 0.489 8.687 8.190 0.170 0.094 0.437 57 L N 4.403 125.881 121.223 0.425 0.000 2.343 57 L HA 0.456 5.073 4.340 0.153 -0.186 0.278 57 L C -1.028 175.995 176.870 0.255 0.000 0.996 57 L CA -1.534 53.448 54.840 0.237 0.000 0.831 57 L CB 2.591 44.702 42.059 0.086 0.000 1.232 57 L HN -0.688 7.837 8.230 0.573 0.049 0.413 58 S N 6.713 122.550 115.700 0.228 0.000 2.508 58 S HA 0.493 5.290 4.470 0.289 -0.154 0.284 58 S C -1.045 173.659 174.600 0.174 0.000 1.192 58 S CA -0.719 57.628 58.200 0.244 0.000 1.070 58 S CB 1.317 64.699 63.200 0.304 0.000 1.004 58 S HN 1.083 9.394 8.310 0.197 0.117 0.493 59 L N 0.757 122.067 121.223 0.144 0.000 2.376 59 L HA 0.269 4.721 4.340 0.188 0.000 0.267 59 L C -0.722 176.221 176.870 0.122 0.000 1.035 59 L CA -1.303 53.623 54.840 0.143 0.000 0.800 59 L CB 2.574 44.716 42.059 0.137 0.000 1.290 59 L HN 0.034 8.357 8.230 0.154 0.000 0.462 60 C N 0.998 120.366 119.300 0.113 0.000 3.287 60 C HA 0.205 4.715 4.460 0.084 0.000 0.260 60 C C -1.714 173.351 174.990 0.125 0.000 1.133 60 C CA -1.942 57.132 59.018 0.094 0.000 1.402 60 C CB -0.016 27.765 27.740 0.068 0.000 1.832 60 C HN 0.442 8.732 8.230 0.100 0.000 0.509 61 H N 5.961 125.048 119.070 0.028 0.000 2.508 61 H HA 0.311 4.973 4.556 0.017 -0.096 0.358 61 H C -0.021 175.317 175.328 0.016 0.000 1.212 61 H CA -1.785 54.278 56.048 0.025 0.000 1.356 61 H CB 2.680 32.468 29.762 0.043 0.000 1.525 61 H HN 0.208 8.617 8.280 0.213 0.000 0.578 62 L N 0.658 122.050 121.223 0.282 0.000 2.998 62 L HA 0.317 4.653 4.340 -0.007 0.000 0.234 62 L C -1.277 175.519 176.870 -0.124 0.000 1.350 62 L CA -0.114 54.759 54.840 0.055 0.000 1.202 62 L CB -2.524 39.592 42.059 0.095 0.000 1.583 62 L HN 0.358 9.187 8.230 0.640 -0.215 0.456 63 Q N -1.017 118.463 119.800 -0.534 0.000 2.399 63 Q HA 0.075 4.265 4.340 -0.250 0.000 0.205 63 Q C -0.571 175.173 176.000 -0.426 0.000 0.733 63 Q CA 0.818 56.306 55.803 -0.526 0.000 0.916 63 Q CB 2.974 31.339 28.738 -0.622 0.000 1.299 63 Q HN 0.126 7.902 8.270 -0.608 0.129 0.455 64 K N -3.916 116.159 120.400 -0.541 0.000 2.308 64 K HA 0.210 4.445 4.320 -0.141 0.000 0.268 64 K C -2.466 174.087 176.600 -0.078 0.000 0.992 64 K CA -1.190 54.974 56.287 -0.205 0.000 0.836 64 K CB 1.728 34.155 32.500 -0.122 0.000 1.507 64 K HN -0.663 7.009 8.250 -0.964 0.000 0.394 65 V N -5.463 114.438 119.914 -0.021 0.000 2.888 65 V HA 0.407 4.644 4.120 0.048 -0.088 0.309 65 V C -1.665 174.393 176.094 -0.059 0.000 1.114 65 V CA -1.929 60.369 62.300 -0.004 0.000 0.940 65 V CB 3.049 34.861 31.823 -0.018 0.000 1.021 65 V HN -0.134 8.039 8.190 -0.028 0.000 0.426 66 K N 0.951 121.306 120.400 -0.076 0.000 2.250 66 K HA 0.337 4.490 4.320 -0.278 0.000 0.261 66 K C -2.236 174.176 176.600 -0.314 0.000 1.047 66 K CA -1.828 54.364 56.287 -0.160 0.000 0.884 66 K CB 2.470 35.027 32.500 0.095 0.000 1.476 66 K HN -0.241 8.014 8.250 0.008 0.000 0.445 67 H N -3.008 116.230 119.070 0.279 0.000 2.768 67 H HA 0.263 5.138 4.556 0.362 -0.101 0.371 67 H C -1.190 174.383 175.328 0.408 0.000 1.151 67 H CA -0.414 55.828 56.048 0.323 0.000 1.165 67 H CB 3.069 32.939 29.762 0.180 0.000 1.722 67 H HN 0.153 8.498 8.280 0.109 0.000 0.543 68 Y N 1.648 122.131 120.300 0.306 0.000 2.837 68 Y HA 0.126 4.829 4.550 0.255 0.000 0.356 68 Y C -1.543 174.483 175.900 0.210 0.000 1.035 68 Y CA -1.516 56.774 58.100 0.318 0.000 1.165 68 Y CB -0.242 38.513 38.460 0.492 0.000 1.147 68 Y HN 0.094 8.746 8.280 0.672 0.031 0.628 69 L N 2.723 124.022 121.223 0.126 0.000 2.446 69 L HA 0.824 5.295 4.340 -0.134 -0.211 0.268 69 L C -2.112 174.692 176.870 -0.109 0.000 0.975 69 L CA -0.658 54.168 54.840 -0.023 0.000 0.848 69 L CB 1.922 44.022 42.059 0.068 0.000 1.225 69 L HN -0.037 8.260 8.230 0.111 0.000 0.410 70 I N 4.280 124.706 120.570 -0.241 0.000 4.676 70 I HA 0.103 4.226 4.170 -0.078 0.000 0.306 70 I C -1.162 174.874 176.117 -0.135 0.000 1.178 70 I CA -0.383 60.830 61.300 -0.146 0.000 1.335 70 I CB 2.474 40.400 38.000 -0.125 0.000 1.541 70 I HN 0.300 8.240 8.210 -0.450 0.000 0.469 71 L N -1.481 119.601 121.223 -0.235 0.000 2.470 71 L HA 0.511 4.776 4.340 -0.124 0.000 0.268 71 L C -2.610 174.141 176.870 -0.199 0.000 0.964 71 L CA -2.413 52.336 54.840 -0.152 0.000 0.839 71 L CB 2.241 44.297 42.059 -0.005 0.000 1.276 71 L HN -0.645 7.319 8.230 -0.444 0.000 0.403 72 P HA 0.279 4.505 4.420 -0.324 0.000 0.320 72 P C -0.898 176.233 177.300 -0.282 0.000 1.402 72 P CA -0.771 62.070 63.100 -0.431 0.000 0.873 72 P CB 1.392 32.478 31.700 -1.022 0.000 2.179 73 S N -0.678 114.797 115.700 -0.375 0.000 2.475 73 S HA 0.062 4.591 4.470 -0.138 -0.141 0.281 73 S C 0.135 174.572 174.600 -0.271 0.000 1.198 73 S CA -0.467 57.589 58.200 -0.241 0.000 1.063 73 S CB 0.538 63.605 63.200 -0.221 0.000 0.972 73 S HN -0.106 7.872 8.310 -0.553 0.000 0.486 74 E N 7.306 127.319 120.200 -0.312 0.000 2.334 74 E HA 0.208 4.386 4.350 -0.287 0.000 0.256 74 E C 0.397 176.876 176.600 -0.202 0.000 0.958 74 E CA -1.830 54.354 56.400 -0.360 0.000 0.821 74 E CB 1.359 30.629 29.700 -0.717 0.000 1.269 74 E HN -0.151 8.052 8.360 -0.262 0.000 0.413 75 E N -0.381 119.724 120.200 -0.158 0.000 2.394 75 E HA 0.049 4.368 4.350 -0.051 0.000 0.191 75 E C -0.392 176.192 176.600 -0.027 0.000 1.044 75 E CA 0.975 57.332 56.400 -0.071 0.000 0.939 75 E CB -0.608 29.056 29.700 -0.059 0.000 1.089 75 E HN 0.473 8.722 8.360 -0.186 0.000 0.456 76 E N -1.200 118.986 120.200 -0.023 0.000 2.539 76 E HA 0.078 4.477 4.350 0.081 0.000 0.215 76 E C -0.398 176.364 176.600 0.269 0.000 0.965 76 E CA -0.602 55.861 56.400 0.105 0.000 1.019 76 E CB 0.955 30.732 29.700 0.129 0.000 1.059 76 E HN -0.080 8.095 8.360 -0.124 0.111 0.496 77 G N -0.981 107.990 108.800 0.285 0.000 2.725 77 G HA2 0.106 4.254 3.960 0.313 0.000 0.098 77 G HA3 0.106 4.452 3.960 0.643 0.000 0.098 77 G C -1.507 173.595 174.900 0.336 0.000 1.188 77 G CA 0.126 45.484 45.100 0.430 0.000 1.237 77 G HN -0.813 7.545 8.290 0.112 0.000 0.596 78 R N -0.989 119.773 120.500 0.436 0.000 2.792 78 R HA 0.458 4.837 4.340 0.065 0.000 0.100 78 R C 0.212 176.671 176.300 0.265 0.000 0.904 78 R CA -2.437 53.768 56.100 0.175 0.000 0.707 78 R CB 1.716 31.968 30.300 -0.080 0.000 0.663 78 R HN -0.395 8.242 8.270 0.612 0.000 0.354 79 L N 1.883 123.216 121.223 0.185 0.000 2.433 79 L HA 0.103 4.688 4.340 0.211 -0.119 0.275 79 L C -0.477 176.746 176.870 0.587 0.000 1.128 79 L CA 0.284 55.313 54.840 0.316 0.000 0.875 79 L CB -0.779 41.438 42.059 0.265 0.000 1.171 79 L HN 0.053 8.221 8.230 0.042 0.087 0.463 80 Y N 5.281 125.705 120.300 0.207 0.000 2.365 80 Y HA 0.023 4.720 4.550 0.246 0.000 0.340 80 Y C -1.641 174.327 175.900 0.113 0.000 1.016 80 Y CA -0.381 57.824 58.100 0.175 0.000 1.196 80 Y CB 0.396 38.868 38.460 0.020 0.000 1.167 80 Y HN 0.489 8.990 8.280 0.406 0.023 0.509 81 F N 1.394 121.396 119.950 0.086 0.000 2.569 81 F HA 0.202 4.792 4.527 0.106 0.000 0.312 81 F C -1.224 174.593 175.800 0.029 0.000 1.109 81 F CA -0.817 57.235 58.000 0.086 0.000 0.919 81 F CB 4.126 43.207 39.000 0.135 0.000 1.211 81 F HN 0.067 8.647 8.300 0.325 -0.085 0.446 82 S N 2.845 118.635 115.700 0.151 0.000 2.924 82 S HA 0.273 4.842 4.470 0.087 -0.047 0.244 82 S C -0.276 174.348 174.600 0.040 0.000 0.842 82 S CA -0.872 57.375 58.200 0.077 0.000 1.086 82 S CB 0.534 63.757 63.200 0.038 0.000 1.295 82 S HN 0.221 8.594 8.310 0.105 0.000 0.500 83 M N 0.928 120.549 119.600 0.035 0.000 1.794 83 M HA -0.091 4.341 4.480 -0.081 0.000 0.145 83 M C 0.793 177.079 176.300 -0.023 0.000 1.139 83 M CA 1.847 57.114 55.300 -0.055 0.000 0.637 83 M CB 0.006 32.495 32.600 -0.185 0.000 0.932 83 M HN -0.681 7.673 8.290 0.106 0.000 0.248 84 D N -0.823 119.554 120.400 -0.039 0.000 2.154 84 D HA -0.285 4.350 4.640 -0.007 0.000 0.190 84 D C 0.455 176.760 176.300 0.010 0.000 1.003 84 D CA 3.173 57.168 54.000 -0.010 0.000 0.849 84 D CB -0.296 40.500 40.800 -0.007 0.000 0.942 84 D HN 0.248 8.572 8.370 -0.078 0.000 0.446 85 D N -3.010 117.404 120.400 0.023 0.000 2.837 85 D HA 0.057 4.714 4.640 0.029 0.000 0.340 85 D C -1.168 175.169 176.300 0.061 0.000 1.451 85 D CA -0.684 53.338 54.000 0.036 0.000 0.798 85 D CB -0.234 40.587 40.800 0.035 0.000 1.169 85 D HN -0.312 8.070 8.370 0.021 0.000 0.449 86 G N -0.029 108.815 108.800 0.073 0.000 2.845 86 G HA2 0.294 4.315 3.960 0.102 0.000 0.282 86 G HA3 0.294 4.358 3.960 0.174 0.000 0.282 86 G C -2.155 172.816 174.900 0.117 0.000 1.546 86 G CA 0.127 45.297 45.100 0.117 0.000 1.089 86 G HN -0.792 7.415 8.290 0.053 0.115 0.558 87 Q N 3.668 123.515 119.800 0.078 0.000 2.815 87 Q HA 0.274 4.816 4.340 0.087 -0.151 0.329 87 Q C -0.676 175.345 176.000 0.035 0.000 1.037 87 Q CA -1.673 54.164 55.803 0.056 0.000 1.002 87 Q CB -1.159 27.587 28.738 0.013 0.000 1.274 87 Q HN -0.040 8.266 8.270 0.060 0.000 0.452 88 T N -4.165 110.436 114.554 0.079 0.000 3.251 88 T HA 0.216 4.570 4.350 0.007 0.000 0.259 88 T C 0.656 175.400 174.700 0.074 0.000 0.998 88 T CA -1.560 60.565 62.100 0.042 0.000 0.905 88 T CB 0.375 69.252 68.868 0.016 0.000 1.067 88 T HN -0.337 7.991 8.240 0.146 0.000 0.569 89 R N 0.745 121.271 120.500 0.042 0.000 4.267 89 R HA -0.290 4.306 4.340 0.251 -0.105 0.146 89 R C -1.842 174.494 176.300 0.060 0.000 1.344 89 R CA 1.116 57.193 56.100 -0.039 0.000 1.104 89 R CB -2.444 27.445 30.300 -0.685 0.000 1.143 89 R HN -0.411 7.787 8.270 0.016 0.082 0.542 90 F N 1.272 121.208 119.950 -0.025 0.000 2.824 90 F HA 0.299 4.837 4.527 0.019 0.000 0.330 90 F C -1.236 174.558 175.800 -0.010 0.000 1.175 90 F CA -2.874 55.115 58.000 -0.019 0.000 0.974 90 F CB 4.077 43.036 39.000 -0.069 0.000 1.430 90 F HN 0.520 8.890 8.300 0.190 0.044 0.507 91 T N 4.131 118.107 114.554 -0.963 0.000 4.475 91 T HA -0.127 4.005 4.350 -0.365 0.000 0.254 91 T C 0.291 174.747 174.700 -0.406 0.000 1.160 91 T CA 1.489 63.202 62.100 -0.645 0.000 1.091 91 T CB -1.501 66.903 68.868 -0.773 0.000 1.377 91 T HN 0.128 6.836 8.240 -2.552 0.000 1.057 92 D N 4.334 124.592 120.400 -0.237 0.000 2.271 92 D HA -0.333 4.218 4.640 -0.148 0.000 0.207 92 D C 1.023 177.242 176.300 -0.134 0.000 0.983 92 D CA 3.082 56.976 54.000 -0.176 0.000 0.878 92 D CB 0.231 40.898 40.800 -0.222 0.000 0.920 92 D HN 0.181 8.364 8.370 -0.203 0.065 0.479 93 L N 0.642 121.776 121.223 -0.147 0.000 1.987 93 L HA -0.359 3.941 4.340 -0.067 0.000 0.230 93 L C 1.496 178.345 176.870 -0.035 0.000 1.089 93 L CA 3.193 57.977 54.840 -0.093 0.000 0.802 93 L CB -0.310 41.673 42.059 -0.125 0.000 0.905 93 L HN -0.309 7.765 8.230 -0.185 0.045 0.441 94 L N -3.355 117.831 121.223 -0.062 0.000 2.042 94 L HA -0.451 3.901 4.340 0.020 0.000 0.210 94 L C 1.995 178.895 176.870 0.051 0.000 1.076 94 L CA 3.098 57.936 54.840 -0.004 0.000 0.749 94 L CB -1.257 40.788 42.059 -0.023 0.000 0.893 94 L HN -0.506 7.653 8.230 -0.118 0.000 0.432 95 Q N -0.944 118.839 119.800 -0.027 0.000 2.084 95 Q HA -0.394 3.932 4.340 -0.024 0.000 0.202 95 Q C 2.463 178.541 176.000 0.130 0.000 0.978 95 Q CA 3.081 58.821 55.803 -0.106 0.000 0.844 95 Q CB -0.073 28.409 28.738 -0.427 0.000 0.898 95 Q HN -0.577 7.634 8.270 -0.089 0.006 0.426 96 L N 0.515 121.815 121.223 0.129 0.000 1.971 96 L HA -0.384 4.317 4.340 0.366 -0.141 0.215 96 L C 2.247 179.328 176.870 0.353 0.000 1.072 96 L CA 3.272 58.287 54.840 0.292 0.000 0.758 96 L CB -0.180 42.029 42.059 0.250 0.000 0.889 96 L HN 0.584 8.637 8.230 0.042 0.202 0.433 97 V N -1.961 118.090 119.914 0.227 0.000 2.215 97 V HA -0.677 3.473 4.120 0.051 0.000 0.249 97 V C 1.824 177.976 176.094 0.096 0.000 1.054 97 V CA 4.385 66.749 62.300 0.106 0.000 1.012 97 V CB -0.439 31.425 31.823 0.068 0.000 0.639 97 V HN -0.645 7.652 8.190 0.178 0.000 0.448 98 E N -1.279 119.066 120.200 0.243 0.000 2.028 98 E HA -0.267 4.203 4.350 0.200 0.000 0.191 98 E C 2.943 179.780 176.600 0.395 0.000 0.988 98 E CA 2.934 59.507 56.400 0.289 0.000 0.799 98 E CB 0.129 29.987 29.700 0.263 0.000 0.755 98 E HN -0.919 7.592 8.360 0.251 0.000 0.447 99 F N -2.566 117.486 119.950 0.169 0.000 2.722 99 F HA -0.148 4.408 4.527 0.049 0.000 0.298 99 F C 1.961 177.782 175.800 0.034 0.000 1.175 99 F CA 0.860 58.914 58.000 0.089 0.000 1.462 99 F CB -1.291 37.748 39.000 0.064 0.000 1.111 99 F HN 0.525 9.270 8.300 0.905 0.098 0.592 100 H N -0.052 119.084 119.070 0.111 0.000 2.426 100 H HA -0.345 4.269 4.556 -0.266 -0.217 0.298 100 H C 1.654 176.840 175.328 -0.237 0.000 1.107 100 H CA 3.051 59.053 56.048 -0.077 0.000 1.298 100 H CB -1.914 27.918 29.762 0.116 0.000 1.377 100 H HN 0.120 8.563 8.280 0.612 0.204 0.519 101 Q N -3.114 116.233 119.800 -0.756 0.000 2.172 101 Q HA -0.149 3.744 4.340 -0.745 0.000 0.200 101 Q C 0.209 176.001 176.000 -0.347 0.000 0.964 101 Q CA 2.034 57.444 55.803 -0.655 0.000 0.855 101 Q CB 0.573 29.008 28.738 -0.506 0.000 0.918 101 Q HN -0.456 7.550 8.270 -0.398 0.025 0.444 102 L N -1.373 119.709 121.223 -0.235 0.000 2.481 102 L HA 0.274 4.514 4.340 -0.167 0.000 0.263 102 L C -2.851 174.006 176.870 -0.020 0.000 1.537 102 L CA -0.362 54.390 54.840 -0.146 0.000 0.741 102 L CB -0.754 41.222 42.059 -0.138 0.000 0.974 102 L HN -0.323 7.641 8.230 -0.184 0.155 0.519 103 N N -1.597 117.067 118.700 -0.060 0.000 2.272 103 N HA 0.175 5.027 4.740 0.187 0.000 0.305 103 N C -0.630 174.896 175.510 0.027 0.000 1.103 103 N CA -1.777 51.315 53.050 0.070 0.000 0.791 103 N CB 2.531 41.105 38.487 0.144 0.000 1.356 103 N HN -0.609 7.636 8.380 -0.226 0.000 0.486 104 R N 2.201 122.751 120.500 0.085 0.000 4.045 104 R HA -0.089 4.284 4.340 0.054 0.000 0.174 104 R C 0.291 176.667 176.300 0.127 0.000 1.805 104 R CA 0.049 56.200 56.100 0.085 0.000 1.368 104 R CB -2.826 27.528 30.300 0.089 0.000 1.362 104 R HN 0.483 8.816 8.270 0.105 0.000 0.777 105 G N 1.612 110.504 108.800 0.153 0.000 2.806 105 G HA2 -0.220 3.943 3.960 0.339 0.000 0.214 105 G HA3 -0.220 3.916 3.960 0.293 0.000 0.214 105 G C -0.452 174.497 174.900 0.080 0.000 1.331 105 G CA 0.920 46.161 45.100 0.234 0.000 0.807 105 G HN 0.274 8.553 8.290 0.085 0.062 0.644 106 I N 0.699 121.320 120.570 0.084 0.000 2.822 106 I HA 0.204 4.562 4.170 0.314 0.000 0.312 106 I C 0.047 176.256 176.117 0.152 0.000 1.011 106 I CA -1.648 59.754 61.300 0.169 0.000 1.105 106 I CB 2.393 40.464 38.000 0.117 0.000 1.291 106 I HN -0.215 8.030 8.210 0.059 0.000 0.474 107 L N 5.366 126.710 121.223 0.201 0.000 2.587 107 L HA -0.167 4.244 4.340 0.117 0.000 0.315 107 L C -1.672 175.194 176.870 -0.006 0.000 1.288 107 L CA 0.907 55.801 54.840 0.090 0.000 0.849 107 L CB -1.193 40.904 42.059 0.063 0.000 1.080 107 L HN -0.251 8.176 8.230 0.329 0.000 0.541 108 P HA -0.221 4.193 4.420 -0.010 0.000 0.113 108 P C -1.560 175.696 177.300 -0.074 0.000 0.708 108 P CA 1.217 64.303 63.100 -0.023 0.000 1.193 108 P CB -1.653 30.042 31.700 -0.008 0.000 1.567 109 C N -3.318 115.924 119.300 -0.097 0.000 3.256 109 C HA 0.134 4.532 4.460 -0.103 0.000 0.354 109 C C -0.669 174.271 174.990 -0.083 0.000 4.167 109 C CA -2.108 56.829 59.018 -0.136 0.000 1.360 109 C CB 2.547 30.088 27.740 -0.332 0.000 4.682 109 C HN -0.776 7.410 8.230 -0.065 0.005 0.466 110 L N 3.942 125.119 121.223 -0.077 0.000 2.530 110 L HA -0.148 4.159 4.340 -0.055 0.000 0.247 110 L C 0.641 177.470 176.870 -0.068 0.000 1.416 110 L CA 0.647 55.451 54.840 -0.059 0.000 1.202 110 L CB -2.640 39.394 42.059 -0.041 0.000 1.415 110 L HN 0.691 9.392 8.230 -0.089 -0.524 0.443 111 L N -5.319 115.867 121.223 -0.062 0.000 2.151 111 L HA -0.260 4.067 4.340 -0.022 0.000 0.215 111 L C 0.562 177.356 176.870 -0.127 0.000 1.084 111 L CA 1.925 56.732 54.840 -0.055 0.000 0.764 111 L CB -1.011 41.026 42.059 -0.036 0.000 0.891 111 L HN 0.046 8.187 8.230 -0.055 0.056 0.435 112 R N -1.261 119.143 120.500 -0.159 0.000 2.449 112 R HA -0.135 3.990 4.340 -0.358 0.000 0.296 112 R C -0.429 175.722 176.300 -0.248 0.000 1.047 112 R CA 0.811 56.759 56.100 -0.254 0.000 1.018 112 R CB 0.138 30.320 30.300 -0.197 0.000 0.962 112 R HN -0.474 7.686 8.270 -0.120 0.038 0.428 113 H N -0.024 118.884 119.070 -0.269 0.000 2.941 113 H HA 0.356 4.697 4.556 -0.358 0.000 0.344 113 H C -2.718 172.402 175.328 -0.347 0.000 1.235 113 H CA -0.891 54.896 56.048 -0.436 0.000 1.149 113 H CB 2.349 31.577 29.762 -0.890 0.000 1.885 113 H HN -0.367 7.459 8.280 -0.755 0.000 0.558 114 C N -1.918 117.325 119.300 -0.096 0.000 3.310 114 C HA 0.199 4.779 4.460 0.200 0.000 0.137 114 C C -1.934 173.067 174.990 0.018 0.000 2.665 114 C CA -0.101 58.940 59.018 0.037 0.000 0.894 114 C CB 1.778 29.515 27.740 -0.004 0.000 1.354 114 C HN 0.131 8.192 8.230 -0.282 0.000 0.683 115 C N -2.109 117.160 119.300 -0.053 0.000 3.274 115 C HA 0.308 4.745 4.460 -0.038 0.000 0.371 115 C C -2.018 172.963 174.990 -0.015 0.000 2.432 115 C CA -1.223 57.746 59.018 -0.081 0.000 1.291 115 C CB 2.605 30.223 27.740 -0.205 0.000 2.851 115 C HN -0.388 7.801 8.230 -0.068 0.000 0.456 116 T N 0.749 115.278 114.554 -0.042 0.000 2.934 116 T HA 0.178 4.565 4.350 0.063 0.000 0.283 116 T C -0.396 174.308 174.700 0.007 0.000 1.005 116 T CA 0.702 62.818 62.100 0.027 0.000 1.041 116 T CB 1.311 70.218 68.868 0.065 0.000 1.042 116 T HN 0.382 8.537 8.240 -0.142 0.000 0.505 117 R N 5.541 126.054 120.500 0.023 0.000 2.860 117 R HA 0.234 4.576 4.340 0.004 0.000 0.282 117 R C -1.325 174.988 176.300 0.021 0.000 1.408 117 R CA -1.411 54.698 56.100 0.014 0.000 1.636 117 R CB -1.625 28.682 30.300 0.010 0.000 1.187 117 R HN -0.003 8.461 8.270 0.040 -0.170 0.611 118 V N -0.656 119.271 119.914 0.021 0.000 4.397 118 V HA 0.183 4.315 4.120 0.019 0.000 0.158 118 V C 0.209 176.310 176.094 0.012 0.000 1.309 118 V CA 0.150 62.463 62.300 0.022 0.000 1.184 118 V CB 0.395 32.239 31.823 0.035 0.000 1.330 118 V HN -0.432 7.768 8.190 0.017 0.000 0.607 119 A N 1.343 124.171 122.820 0.014 0.000 2.336 119 A HA 0.177 4.496 4.320 -0.002 0.000 0.278 119 A C 0.678 178.265 177.584 0.006 0.000 1.371 119 A CA -0.271 51.769 52.037 0.005 0.000 0.842 119 A CB -0.247 18.755 19.000 0.004 0.000 1.363 119 A HN -0.372 7.792 8.150 0.024 0.000 0.517 120 L N 0.000 121.226 121.223 0.006 0.000 2.949 120 L HA 0.000 4.342 4.340 0.004 0.000 0.249 120 L CA 0.000 54.844 54.840 0.007 0.000 0.813 120 L CB 0.000 42.065 42.059 0.010 0.000 0.961 120 L HN 0.000 8.232 8.230 0.003 0.000 0.502