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 2l3g_1_A DATA FIRST_RESID 1 DATA SEQUENCE MGHHHHHHSH MNSAEQTVTW LITLGVLESP KKTISDPEGF LQASLKDGVV DATA SEQUENCE LCRLLERLLP GTIEKVYPEP RSESECLSNI REFLRGCGAS LRLETFDAND DATA SEQUENCE LYQGQNFNKV LSSLVTLNKV TADIGL 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 M HA 0.000 4.374 4.480 -0.176 0.000 0.227 1 M C 0.000 176.152 176.300 -0.246 0.000 1.140 1 M CA 0.000 55.191 55.300 -0.181 0.000 0.988 1 M CB 0.000 32.481 32.600 -0.199 0.000 1.302 2 G N 2.193 110.849 108.800 -0.241 0.000 2.915 2 G HA2 0.142 3.970 3.960 -0.220 0.000 0.298 2 G HA3 0.142 3.941 3.960 -0.269 0.000 0.298 2 G C -1.065 173.561 174.900 -0.456 0.000 0.837 2 G CA -0.297 44.624 45.100 -0.298 0.000 1.752 2 G HN 0.340 8.518 8.290 -0.185 0.000 0.526 3 H N 3.142 122.099 119.070 -0.188 0.000 3.026 3 H HA -0.117 4.419 4.556 -0.034 0.000 0.289 3 H C -0.221 175.015 175.328 -0.153 0.000 1.022 3 H CA 0.300 56.293 56.048 -0.092 0.000 1.477 3 H CB 0.199 29.980 29.762 0.031 0.000 1.510 3 H HN -0.270 7.920 8.280 -0.149 0.000 0.535 4 H N 7.332 126.539 119.070 0.228 0.000 2.787 4 H HA 0.206 4.822 4.556 0.099 0.000 0.275 4 H C 0.367 175.798 175.328 0.171 0.000 1.183 4 H CA -1.038 55.095 56.048 0.142 0.000 1.290 4 H CB -0.502 29.314 29.762 0.089 0.000 1.438 4 H HN 0.543 8.943 8.280 0.200 0.000 0.487 5 H N 3.615 122.836 119.070 0.251 0.000 2.563 5 H HA -0.099 4.575 4.556 0.197 0.000 0.272 5 H C -0.131 175.315 175.328 0.196 0.000 1.005 5 H CA 0.642 56.803 56.048 0.189 0.000 1.171 5 H CB -0.227 29.596 29.762 0.101 0.000 1.351 5 H HN 0.441 8.814 8.280 0.155 0.000 0.602 6 H N 0.848 119.873 119.070 -0.075 0.000 2.343 6 H HA -0.139 4.420 4.556 0.006 0.000 0.303 6 H C -0.077 175.322 175.328 0.117 0.000 1.068 6 H CA 1.878 57.927 56.048 0.002 0.000 1.359 6 H CB 0.851 30.591 29.762 -0.038 0.000 1.402 6 H HN -0.110 8.111 8.280 0.040 0.083 0.515 7 H N -0.021 119.167 119.070 0.197 0.000 2.683 7 H HA 0.149 4.748 4.556 0.073 0.000 0.270 7 H C -1.382 174.052 175.328 0.176 0.000 1.201 7 H CA -0.733 55.403 56.048 0.147 0.000 1.277 7 H CB -0.317 29.537 29.762 0.153 0.000 1.400 7 H HN -0.554 7.972 8.280 0.410 0.000 0.504 8 H N 5.569 124.600 119.070 -0.066 0.000 2.525 8 H HA 0.235 4.859 4.556 0.112 0.000 0.340 8 H C -0.319 174.972 175.328 -0.062 0.000 1.168 8 H CA -0.768 55.285 56.048 0.008 0.000 1.247 8 H CB 1.942 31.721 29.762 0.029 0.000 1.568 8 H HN 0.192 8.487 8.280 0.025 0.000 0.536 9 S N 3.111 118.474 115.700 -0.562 0.000 2.576 9 S HA -0.023 4.412 4.470 -0.060 0.000 0.272 9 S C -1.008 173.630 174.600 0.063 0.000 1.352 9 S CA 0.107 58.175 58.200 -0.219 0.000 1.021 9 S CB 1.083 64.121 63.200 -0.270 0.000 0.887 9 S HN 0.055 7.663 8.310 -1.170 0.000 0.542 10 H N -1.379 117.674 119.070 -0.029 0.000 2.622 10 H HA 0.219 4.817 4.556 0.070 0.000 0.363 10 H C -0.940 174.400 175.328 0.021 0.000 1.151 10 H CA -1.288 54.773 56.048 0.020 0.000 1.184 10 H CB 1.785 31.543 29.762 -0.007 0.000 1.643 10 H HN -0.091 8.304 8.280 0.191 0.000 0.531 11 M N 3.124 122.676 119.600 -0.081 0.000 2.284 11 M HA -0.252 4.322 4.480 -0.121 -0.167 0.351 11 M C -0.062 176.088 176.300 -0.250 0.000 1.443 11 M CA 0.881 56.106 55.300 -0.126 0.000 1.031 11 M CB -0.135 32.456 32.600 -0.014 0.000 1.893 11 M HN 0.213 8.539 8.290 0.060 0.000 0.456 12 N N 3.909 122.465 118.700 -0.241 0.000 2.326 12 N HA 0.037 4.585 4.740 -0.319 0.000 0.239 12 N C 0.793 176.271 175.510 -0.055 0.000 1.301 12 N CA 0.612 53.545 53.050 -0.195 0.000 0.909 12 N CB 1.245 39.659 38.487 -0.122 0.000 1.156 12 N HN 0.172 8.815 8.380 -0.180 -0.371 0.462 13 S N -0.060 115.635 115.700 -0.008 0.000 2.392 13 S HA -0.454 4.026 4.470 0.017 0.000 0.232 13 S C 1.301 175.933 174.600 0.052 0.000 1.041 13 S CA 3.681 61.895 58.200 0.024 0.000 1.026 13 S CB -0.122 63.097 63.200 0.033 0.000 0.845 13 S HN 0.551 8.855 8.310 -0.010 0.000 0.465 14 A N 0.480 123.344 122.820 0.073 0.000 1.897 14 A HA -0.154 4.267 4.320 0.168 0.000 0.215 14 A C 1.861 179.508 177.584 0.104 0.000 1.181 14 A CA 2.749 54.860 52.037 0.122 0.000 0.620 14 A CB -0.732 18.345 19.000 0.128 0.000 0.821 14 A HN 0.333 8.499 8.150 0.053 0.017 0.443 15 E N -0.917 119.316 120.200 0.054 0.000 2.058 15 E HA -0.470 3.911 4.350 0.052 0.000 0.194 15 E C 2.701 179.345 176.600 0.072 0.000 0.997 15 E CA 3.378 59.805 56.400 0.046 0.000 0.801 15 E CB -0.313 29.389 29.700 0.004 0.000 0.746 15 E HN -0.444 7.933 8.360 0.027 0.000 0.450 16 Q N -3.031 116.806 119.800 0.062 0.000 2.124 16 Q HA -0.264 4.126 4.340 0.082 0.000 0.202 16 Q C 2.183 178.275 176.000 0.155 0.000 0.977 16 Q CA 2.991 58.840 55.803 0.078 0.000 0.850 16 Q CB -0.460 28.292 28.738 0.024 0.000 0.901 16 Q HN -0.289 8.004 8.270 0.038 0.000 0.429 17 T N 3.266 117.920 114.554 0.167 0.000 2.708 17 T HA -0.336 4.251 4.350 0.395 0.000 0.266 17 T C 1.889 176.785 174.700 0.325 0.000 1.037 17 T CA 5.272 67.548 62.100 0.294 0.000 1.146 17 T CB -0.416 68.599 68.868 0.244 0.000 0.865 17 T HN -0.766 7.464 8.240 0.121 0.082 0.435 18 V N 1.757 121.814 119.914 0.237 0.000 2.252 18 V HA -0.684 3.586 4.120 0.250 0.000 0.249 18 V C 1.753 177.962 176.094 0.192 0.000 1.056 18 V CA 4.808 67.242 62.300 0.224 0.000 1.022 18 V CB -0.427 31.509 31.823 0.188 0.000 0.641 18 V HN 0.107 8.419 8.190 0.203 0.000 0.445 19 T N 1.854 116.509 114.554 0.170 0.000 2.759 19 T HA -0.457 3.958 4.350 0.108 0.000 0.269 19 T C 1.530 176.351 174.700 0.202 0.000 1.042 19 T CA 4.374 66.562 62.100 0.148 0.000 1.140 19 T CB -0.309 68.633 68.868 0.123 0.000 0.864 19 T HN -0.527 7.806 8.240 0.156 0.000 0.455 20 W N 2.341 123.672 121.300 0.052 0.000 2.358 20 W HA -0.340 4.347 4.660 0.044 0.000 0.303 20 W C 1.367 177.918 176.519 0.054 0.000 1.208 20 W CA 4.158 61.534 57.345 0.050 0.000 1.274 20 W CB -0.238 29.255 29.460 0.054 0.000 1.138 20 W HN 0.005 8.325 8.180 0.387 0.091 0.515 21 L N -2.564 118.664 121.223 0.008 0.000 2.083 21 L HA -0.543 3.558 4.340 -0.399 0.000 0.209 21 L C 2.169 178.982 176.870 -0.096 0.000 1.083 21 L CA 3.175 57.920 54.840 -0.157 0.000 0.752 21 L CB -0.521 41.523 42.059 -0.025 0.000 0.899 21 L HN 0.101 8.458 8.230 0.212 0.000 0.433 22 I N -0.878 119.693 120.570 0.002 0.000 2.202 22 I HA -0.365 4.030 4.170 0.009 -0.218 0.242 22 I C 3.463 179.572 176.117 -0.013 0.000 1.091 22 I CA 3.571 64.878 61.300 0.013 0.000 1.368 22 I CB 0.083 38.112 38.000 0.049 0.000 1.058 22 I HN -0.253 7.908 8.210 0.057 0.083 0.410 23 T N 1.400 115.951 114.554 -0.004 0.000 2.867 23 T HA -0.289 4.065 4.350 0.007 0.000 0.268 23 T C 1.533 176.204 174.700 -0.048 0.000 1.057 23 T CA 3.775 65.874 62.100 -0.002 0.000 1.136 23 T CB -0.009 68.888 68.868 0.048 0.000 0.874 23 T HN -0.232 8.021 8.240 0.023 0.000 0.466 24 L N -2.537 118.605 121.223 -0.134 0.000 2.610 24 L HA -0.047 4.222 4.340 -0.118 0.000 0.232 24 L C -0.079 176.722 176.870 -0.116 0.000 1.149 24 L CA 0.154 54.891 54.840 -0.171 0.000 0.872 24 L CB 0.065 41.908 42.059 -0.360 0.000 0.992 24 L HN -0.617 7.491 8.230 -0.180 0.014 0.447 25 G N -2.163 106.587 108.800 -0.083 0.000 2.179 25 G HA2 -0.374 3.625 3.960 -0.036 0.000 0.257 25 G HA3 -0.374 3.560 3.960 -0.044 0.000 0.257 25 G C 0.377 175.241 174.900 -0.060 0.000 1.010 25 G CA 1.273 46.341 45.100 -0.053 0.000 0.736 25 G HN -0.099 7.937 8.290 -0.076 0.207 0.513 26 V N -7.623 112.238 119.914 -0.089 0.000 3.565 26 V HA 0.382 4.462 4.120 -0.066 0.000 0.260 26 V C -1.497 174.560 176.094 -0.063 0.000 1.231 26 V CA -0.013 62.236 62.300 -0.086 0.000 1.100 26 V CB 1.111 32.855 31.823 -0.131 0.000 0.807 26 V HN -0.277 7.812 8.190 -0.114 0.032 0.454 27 L N -0.572 120.625 121.223 -0.044 0.000 2.370 27 L HA 0.420 4.750 4.340 -0.017 0.000 0.266 27 L C -1.823 175.066 176.870 0.031 0.000 1.002 27 L CA -1.079 53.758 54.840 -0.005 0.000 0.818 27 L CB 3.437 45.508 42.059 0.020 0.000 1.325 27 L HN -0.804 7.395 8.230 -0.052 0.000 0.418 28 E N 4.012 124.246 120.200 0.056 0.000 2.371 28 E HA 0.106 4.480 4.350 0.040 0.000 0.257 28 E C -1.182 175.478 176.600 0.099 0.000 1.134 28 E CA -0.665 55.775 56.400 0.066 0.000 0.919 28 E CB 0.438 30.177 29.700 0.065 0.000 1.025 28 E HN 0.096 8.487 8.360 0.051 0.000 0.438 29 S N -0.056 115.681 115.700 0.062 0.000 2.528 29 S HA 0.189 4.686 4.470 0.046 0.000 0.277 29 S C -1.385 173.237 174.600 0.035 0.000 1.297 29 S CA -1.511 56.715 58.200 0.043 0.000 1.052 29 S CB -0.430 62.782 63.200 0.019 0.000 0.917 29 S HN 0.102 8.438 8.310 0.045 0.000 0.492 30 P HA 0.244 4.650 4.420 -0.023 0.000 0.271 30 P C -0.770 176.497 177.300 -0.055 0.000 1.218 30 P CA -0.372 62.679 63.100 -0.082 0.000 0.780 30 P CB 1.046 32.578 31.700 -0.280 0.000 0.901 31 K N -1.146 119.230 120.400 -0.039 0.000 2.444 31 K HA 0.028 4.336 4.320 -0.019 0.000 0.193 31 K C -0.269 176.306 176.600 -0.042 0.000 1.024 31 K CA 0.573 56.845 56.287 -0.026 0.000 1.077 31 K CB -0.215 32.282 32.500 -0.006 0.000 0.833 31 K HN 0.173 8.404 8.250 -0.031 0.000 0.517 32 K N -2.897 117.459 120.400 -0.073 0.000 2.499 32 K HA 0.159 4.446 4.320 -0.054 0.000 0.284 32 K C -1.713 174.824 176.600 -0.105 0.000 1.039 32 K CA -1.068 55.175 56.287 -0.074 0.000 0.873 32 K CB 1.014 33.477 32.500 -0.062 0.000 1.545 32 K HN -0.736 7.362 8.250 -0.102 0.091 0.402 33 T N 1.758 116.260 114.554 -0.086 0.000 2.834 33 T HA -0.064 4.227 4.350 -0.099 0.000 0.298 33 T C -0.170 174.452 174.700 -0.129 0.000 0.966 33 T CA 0.294 62.337 62.100 -0.094 0.000 1.141 33 T CB 0.207 69.038 68.868 -0.060 0.000 0.905 33 T HN 0.005 8.206 8.240 -0.065 0.000 0.535 34 I N 6.857 127.326 120.570 -0.169 0.000 2.389 34 I HA -0.043 3.977 4.170 -0.250 0.000 0.295 34 I C 0.142 176.191 176.117 -0.113 0.000 1.117 34 I CA -0.886 60.289 61.300 -0.209 0.000 1.317 34 I CB -1.885 35.941 38.000 -0.289 0.000 1.431 34 I HN 0.421 8.537 8.210 -0.157 0.000 0.521 35 S N 6.682 122.332 115.700 -0.085 0.000 2.371 35 S HA -0.147 4.295 4.470 -0.046 0.000 0.224 35 S C -0.482 174.094 174.600 -0.039 0.000 1.029 35 S CA 2.047 60.217 58.200 -0.050 0.000 0.978 35 S CB 0.529 63.706 63.200 -0.038 0.000 0.833 35 S HN 0.524 8.778 8.310 -0.093 0.000 0.466 36 D N -1.340 119.040 120.400 -0.034 0.000 2.462 36 D HA 0.471 5.095 4.640 -0.027 0.000 0.249 36 D C -1.395 174.909 176.300 0.006 0.000 1.117 36 D CA -2.828 51.160 54.000 -0.021 0.000 0.900 36 D CB 1.332 42.120 40.800 -0.022 0.000 1.039 36 D HN -0.328 8.019 8.370 -0.038 0.000 0.516 37 P HA -0.169 4.300 4.420 0.081 0.000 0.215 37 P C 1.124 178.457 177.300 0.055 0.000 1.157 37 P CA 2.139 65.271 63.100 0.054 0.000 0.863 37 P CB 0.313 32.036 31.700 0.040 0.000 0.787 38 E N -0.273 119.899 120.200 -0.047 0.000 2.106 38 E HA -0.278 3.971 4.350 -0.169 0.000 0.192 38 E C 2.273 178.522 176.600 -0.584 0.000 0.984 38 E CA 3.084 59.304 56.400 -0.299 0.000 0.806 38 E CB -0.832 28.727 29.700 -0.235 0.000 0.750 38 E HN 0.358 8.701 8.360 -0.029 0.000 0.458 39 G N -0.083 108.538 108.800 -0.298 0.000 2.404 39 G HA2 -0.196 3.553 3.960 -0.351 0.000 0.215 39 G HA3 -0.196 3.794 3.960 -0.138 -0.114 0.215 39 G C 1.052 175.872 174.900 -0.132 0.000 1.174 39 G CA 1.672 46.629 45.100 -0.238 0.000 0.780 39 G HN 0.047 8.229 8.290 -0.181 0.000 0.537 40 F N 3.861 123.718 119.950 -0.155 0.000 2.120 40 F HA -0.399 4.081 4.527 -0.078 0.000 0.300 40 F C 1.484 177.237 175.800 -0.079 0.000 1.095 40 F CA 3.348 61.293 58.000 -0.092 0.000 1.249 40 F CB 0.183 39.150 39.000 -0.056 0.000 0.995 40 F HN 0.037 8.469 8.300 0.129 -0.055 0.480 41 L N -1.695 119.483 121.223 -0.074 0.000 1.970 41 L HA -0.556 3.707 4.340 -0.128 0.000 0.212 41 L C 1.895 178.699 176.870 -0.110 0.000 1.071 41 L CA 3.394 58.192 54.840 -0.071 0.000 0.751 41 L CB -0.685 41.488 42.059 0.190 0.000 0.889 41 L HN -0.017 8.243 8.230 0.050 0.000 0.432 42 Q N -0.723 118.948 119.800 -0.216 0.000 2.045 42 Q HA -0.446 3.975 4.340 0.134 0.000 0.206 42 Q C 2.391 178.331 176.000 -0.100 0.000 0.991 42 Q CA 3.275 59.014 55.803 -0.106 0.000 0.851 42 Q CB -0.223 28.341 28.738 -0.290 0.000 0.911 42 Q HN -0.154 7.830 8.270 -0.476 0.000 0.418 43 A N -2.639 120.082 122.820 -0.166 0.000 1.933 43 A HA -0.355 3.905 4.320 -0.099 0.000 0.218 43 A C 1.953 179.433 177.584 -0.174 0.000 1.175 43 A CA 2.888 54.837 52.037 -0.147 0.000 0.628 43 A CB -0.567 18.347 19.000 -0.144 0.000 0.814 43 A HN 0.005 8.034 8.150 -0.202 0.000 0.444 44 S N -2.261 113.267 115.700 -0.287 0.000 2.425 44 S HA -0.169 4.154 4.470 -0.245 0.000 0.225 44 S C 1.209 175.717 174.600 -0.153 0.000 1.024 44 S CA 3.629 61.654 58.200 -0.292 0.000 0.951 44 S CB 0.475 63.360 63.200 -0.525 0.000 0.796 44 S HN -0.653 7.334 8.310 -0.356 0.109 0.498 45 L N -0.948 120.212 121.223 -0.105 0.000 2.509 45 L HA -0.009 4.285 4.340 -0.076 0.000 0.222 45 L C 1.391 178.267 176.870 0.009 0.000 1.123 45 L CA 0.861 55.669 54.840 -0.052 0.000 0.856 45 L CB -0.356 41.685 42.059 -0.031 0.000 0.985 45 L HN 0.333 8.494 8.230 -0.114 0.000 0.456 46 K N 1.030 121.450 120.400 0.034 0.000 2.089 46 K HA -0.399 4.020 4.320 0.165 0.000 0.210 46 K C 0.851 177.550 176.600 0.165 0.000 1.048 46 K CA 3.627 59.990 56.287 0.126 0.000 0.926 46 K CB -0.175 32.384 32.500 0.098 0.000 0.714 46 K HN -0.234 7.958 8.250 -0.010 0.052 0.448 47 D N -4.463 115.987 120.400 0.083 0.000 2.340 47 D HA 0.036 4.714 4.640 0.062 0.000 0.220 47 D C 0.438 176.751 176.300 0.023 0.000 1.039 47 D CA 1.315 55.347 54.000 0.053 0.000 0.866 47 D CB 0.303 41.125 40.800 0.037 0.000 0.913 47 D HN -0.181 8.189 8.370 0.043 0.025 0.523 48 G N -1.358 107.455 108.800 0.022 0.000 2.507 48 G HA2 -0.540 3.420 3.960 -0.000 0.000 0.240 48 G HA3 -0.540 3.503 3.960 0.033 -0.063 0.240 48 G C 0.627 175.527 174.900 -0.001 0.000 1.119 48 G CA 1.914 47.022 45.100 0.013 0.000 0.664 48 G HN 0.447 8.561 8.290 0.029 0.193 0.516 49 V N 2.845 122.766 119.914 0.010 0.000 2.278 49 V HA -0.514 3.622 4.120 0.026 0.000 0.251 49 V C 1.319 177.401 176.094 -0.020 0.000 1.062 49 V CA 3.505 65.811 62.300 0.009 0.000 1.038 49 V CB -0.239 31.590 31.823 0.011 0.000 0.646 49 V HN -0.512 7.567 8.190 0.017 0.122 0.447 50 V N -2.219 117.667 119.914 -0.047 0.000 2.407 50 V HA -0.418 3.666 4.120 -0.060 0.000 0.248 50 V C 2.242 178.274 176.094 -0.103 0.000 1.055 50 V CA 3.637 65.893 62.300 -0.074 0.000 1.049 50 V CB -0.327 31.442 31.823 -0.091 0.000 0.662 50 V HN -0.114 8.049 8.190 -0.044 0.000 0.455 51 L N -0.896 120.235 121.223 -0.153 0.000 2.093 51 L HA -0.359 3.776 4.340 -0.341 0.000 0.208 51 L C 2.083 178.953 176.870 0.001 0.000 1.085 51 L CA 2.813 57.483 54.840 -0.283 0.000 0.755 51 L CB -0.731 40.949 42.059 -0.633 0.000 0.904 51 L HN -0.475 7.590 8.230 -0.134 0.084 0.435 52 C N -0.943 118.381 119.300 0.041 0.000 2.432 52 C HA -0.394 4.164 4.460 0.163 0.000 0.277 52 C C 2.369 177.393 174.990 0.057 0.000 1.249 52 C CA 4.274 63.346 59.018 0.090 0.000 1.725 52 C CB -1.720 26.053 27.740 0.055 0.000 2.028 52 C HN 0.244 8.392 8.230 0.001 0.083 0.477 53 R N -0.527 119.978 120.500 0.009 0.000 2.091 53 R HA -0.376 3.960 4.340 -0.007 0.000 0.238 53 R C 2.491 178.777 176.300 -0.023 0.000 1.136 53 R CA 3.336 59.428 56.100 -0.014 0.000 0.959 53 R CB -0.394 29.885 30.300 -0.036 0.000 0.856 53 R HN -0.477 7.791 8.270 -0.004 0.000 0.437 54 L N -0.190 121.011 121.223 -0.037 0.000 1.990 54 L HA -0.334 3.902 4.340 -0.172 0.000 0.213 54 L C 1.479 178.373 176.870 0.040 0.000 1.072 54 L CA 3.182 57.982 54.840 -0.067 0.000 0.755 54 L CB -0.271 41.743 42.059 -0.075 0.000 0.889 54 L HN -0.057 8.085 8.230 -0.044 0.062 0.432 55 L N -2.656 118.669 121.223 0.171 0.000 2.141 55 L HA -0.348 4.090 4.340 0.162 0.000 0.209 55 L C 1.807 178.719 176.870 0.069 0.000 1.094 55 L CA 3.013 57.948 54.840 0.159 0.000 0.763 55 L CB -0.342 41.836 42.059 0.198 0.000 0.908 55 L HN 0.133 8.497 8.230 0.224 0.000 0.437 56 E N -1.664 118.564 120.200 0.047 0.000 2.347 56 E HA -0.167 4.359 4.350 0.020 -0.165 0.196 56 E C 2.808 179.412 176.600 0.005 0.000 1.008 56 E CA 2.141 58.552 56.400 0.019 0.000 0.852 56 E CB -0.761 28.945 29.700 0.010 0.000 0.783 56 E HN -0.212 8.085 8.360 0.056 0.097 0.505 57 R N -2.435 118.061 120.500 -0.007 0.000 2.246 57 R HA -0.071 4.259 4.340 -0.016 0.000 0.199 57 R C 1.373 177.673 176.300 0.001 0.000 0.984 57 R CA 0.886 56.973 56.100 -0.021 0.000 1.015 57 R CB -0.049 30.212 30.300 -0.066 0.000 0.930 57 R HN -0.150 7.973 8.270 -0.009 0.142 0.475 58 L N -3.469 117.769 121.223 0.025 0.000 2.356 58 L HA 0.039 4.417 4.340 0.064 0.000 0.193 58 L C 0.648 177.546 176.870 0.047 0.000 1.087 58 L CA 1.042 55.917 54.840 0.060 0.000 0.817 58 L CB 1.161 43.288 42.059 0.112 0.000 1.035 58 L HN -0.900 7.196 8.230 0.025 0.150 0.482 59 L N -1.820 119.426 121.223 0.038 0.000 2.426 59 L HA 0.510 4.863 4.340 0.021 0.000 0.255 59 L C -1.912 174.966 176.870 0.014 0.000 1.080 59 L CA -2.831 52.022 54.840 0.022 0.000 0.960 59 L CB 0.317 42.383 42.059 0.012 0.000 1.326 59 L HN 0.054 8.214 8.230 0.045 0.097 0.441 60 P HA -0.072 4.509 4.420 0.005 -0.157 0.269 60 P C 0.391 177.691 177.300 0.001 0.000 1.263 60 P CA 0.230 63.333 63.100 0.005 0.000 0.813 60 P CB -1.340 30.362 31.700 0.004 0.000 0.868 61 G N 5.761 114.561 108.800 -0.001 0.000 2.145 61 G HA2 -0.218 3.737 3.960 -0.008 0.000 0.145 61 G HA3 -0.218 3.738 3.960 -0.006 0.000 0.145 61 G C -0.082 174.813 174.900 -0.007 0.000 1.017 61 G CA -0.155 44.942 45.100 -0.006 0.000 0.682 61 G HN 0.130 8.790 8.290 0.002 -0.369 0.504 62 T N -0.072 114.479 114.554 -0.004 0.000 3.010 62 T HA 0.022 4.364 4.350 -0.013 0.000 0.252 62 T C 0.339 175.034 174.700 -0.008 0.000 1.047 62 T CA 1.883 63.977 62.100 -0.009 0.000 1.140 62 T CB 1.037 69.898 68.868 -0.012 0.000 0.885 62 T HN 0.102 8.626 8.240 0.001 -0.283 0.464 63 I N 2.515 123.086 120.570 0.001 0.000 2.578 63 I HA -0.268 3.906 4.170 0.007 0.000 0.286 63 I C -0.195 175.912 176.117 -0.017 0.000 1.126 63 I CA -1.025 60.276 61.300 0.002 0.000 1.380 63 I CB -1.529 36.481 38.000 0.016 0.000 1.408 63 I HN -0.380 8.172 8.210 0.007 -0.337 0.532 64 E N 9.928 130.115 120.200 -0.022 0.000 2.072 64 E HA -0.160 4.171 4.350 -0.031 0.000 0.190 64 E C 0.272 176.837 176.600 -0.059 0.000 0.982 64 E CA 1.939 58.318 56.400 -0.034 0.000 0.803 64 E CB 0.919 30.602 29.700 -0.028 0.000 0.755 64 E HN 0.235 8.765 8.360 -0.015 -0.179 0.453 65 K N -2.594 117.759 120.400 -0.078 0.000 2.565 65 K HA 0.162 4.397 4.320 -0.141 0.000 0.251 65 K C -2.439 174.047 176.600 -0.191 0.000 0.956 65 K CA -0.200 55.995 56.287 -0.154 0.000 0.809 65 K CB 2.052 34.427 32.500 -0.209 0.000 1.267 65 K HN -0.480 8.041 8.250 -0.054 -0.303 0.438 66 V N 4.079 123.872 119.914 -0.201 0.000 2.715 66 V HA 0.196 4.381 4.120 -0.062 -0.103 0.310 66 V C -0.820 175.128 176.094 -0.244 0.000 1.054 66 V CA -2.351 59.866 62.300 -0.139 0.000 0.928 66 V CB 2.686 34.490 31.823 -0.032 0.000 1.007 66 V HN 0.033 8.116 8.190 -0.179 0.000 0.437 67 Y N 7.301 127.593 120.300 -0.013 0.000 2.594 67 Y HA 0.246 4.788 4.550 -0.012 0.000 0.342 67 Y C -1.069 174.823 175.900 -0.014 0.000 1.010 67 Y CA -2.633 55.458 58.100 -0.015 0.000 1.270 67 Y CB -0.484 37.963 38.460 -0.021 0.000 1.125 67 Y HN 0.414 9.276 8.280 0.257 -0.428 0.513 68 P HA -0.139 4.304 4.420 0.039 0.000 0.225 68 P C -1.153 176.181 177.300 0.057 0.000 1.148 68 P CA 0.986 64.115 63.100 0.049 0.000 0.779 68 P CB 0.361 32.073 31.700 0.020 0.000 0.780 69 E N -3.020 117.231 120.200 0.084 0.000 2.923 69 E HA 0.322 4.699 4.350 0.045 0.000 0.266 69 E C -2.486 174.156 176.600 0.069 0.000 1.157 69 E CA -3.451 52.987 56.400 0.063 0.000 0.795 69 E CB 0.117 29.845 29.700 0.047 0.000 1.454 69 E HN -0.397 7.981 8.360 0.121 0.055 0.386 70 P HA 0.203 4.798 4.420 -0.076 -0.221 0.280 70 P C -1.008 176.264 177.300 -0.047 0.000 1.300 70 P CA -0.624 62.455 63.100 -0.036 0.000 0.785 70 P CB 0.448 32.111 31.700 -0.061 0.000 0.874 71 R N 4.446 124.909 120.500 -0.061 0.000 2.075 71 R HA 0.118 4.448 4.340 -0.016 0.000 0.220 71 R C 0.455 176.721 176.300 -0.058 0.000 1.118 71 R CA 0.333 56.409 56.100 -0.039 0.000 0.986 71 R CB 0.469 30.755 30.300 -0.024 0.000 0.884 71 R HN -0.084 8.493 8.270 -0.076 -0.352 0.439 72 S N -0.511 115.123 115.700 -0.110 0.000 2.610 72 S HA 0.088 4.522 4.470 -0.061 0.000 0.273 72 S C 0.556 175.071 174.600 -0.143 0.000 1.274 72 S CA -0.439 57.695 58.200 -0.110 0.000 1.023 72 S CB 1.457 64.578 63.200 -0.131 0.000 0.962 72 S HN -0.335 8.225 8.310 -0.149 -0.340 0.523 73 E N 6.008 126.153 120.200 -0.091 0.000 2.070 73 E HA -0.434 3.841 4.350 -0.124 0.000 0.197 73 E C 2.075 178.513 176.600 -0.270 0.000 1.004 73 E CA 3.800 60.125 56.400 -0.125 0.000 0.805 73 E CB 0.053 29.761 29.700 0.014 0.000 0.744 73 E HN 0.677 9.008 8.360 -0.048 0.000 0.451 74 S N -2.688 112.894 115.700 -0.197 0.000 2.419 74 S HA -0.250 4.110 4.470 -0.183 0.000 0.233 74 S C 2.139 176.565 174.600 -0.289 0.000 1.016 74 S CA 2.594 60.673 58.200 -0.202 0.000 0.974 74 S CB -0.653 62.465 63.200 -0.136 0.000 0.786 74 S HN 0.151 8.375 8.310 -0.143 0.000 0.492 75 E N 2.250 122.208 120.200 -0.404 0.000 2.051 75 E HA -0.326 3.455 4.350 -0.949 0.000 0.192 75 E C 2.018 178.389 176.600 -0.381 0.000 0.991 75 E CA 3.095 59.096 56.400 -0.666 0.000 0.799 75 E CB -0.302 28.938 29.700 -0.767 0.000 0.748 75 E HN -0.573 7.439 8.360 -0.344 0.141 0.449 76 C N -1.045 118.054 119.300 -0.336 0.000 2.413 76 C HA -0.249 4.116 4.460 -0.158 0.000 0.276 76 C C 2.401 177.224 174.990 -0.278 0.000 1.236 76 C CA 4.635 63.472 59.018 -0.300 0.000 1.735 76 C CB -0.904 26.540 27.740 -0.492 0.000 2.031 76 C HN -0.620 7.396 8.230 -0.357 0.000 0.474 77 L N -1.465 119.540 121.223 -0.363 0.000 2.083 77 L HA -0.418 3.815 4.340 -0.177 0.000 0.209 77 L C 2.657 179.476 176.870 -0.085 0.000 1.083 77 L CA 3.271 57.984 54.840 -0.210 0.000 0.752 77 L CB -0.902 41.040 42.059 -0.194 0.000 0.899 77 L HN -0.101 7.849 8.230 -0.467 0.000 0.433 78 S N -1.005 114.652 115.700 -0.072 0.000 2.355 78 S HA -0.361 4.126 4.470 0.028 0.000 0.222 78 S C 1.887 176.543 174.600 0.093 0.000 1.031 78 S CA 3.340 61.564 58.200 0.040 0.000 0.993 78 S CB -0.233 63.049 63.200 0.137 0.000 0.859 78 S HN 0.238 8.258 8.310 -0.145 0.203 0.453 79 N N 2.247 121.011 118.700 0.107 0.000 2.069 79 N HA -0.309 4.514 4.740 0.139 0.000 0.191 79 N C 2.605 178.173 175.510 0.097 0.000 1.031 79 N CA 3.140 56.259 53.050 0.115 0.000 0.852 79 N CB -0.380 38.166 38.487 0.099 0.000 1.018 79 N HN -0.362 8.060 8.380 0.069 0.000 0.423 80 I N -0.402 120.210 120.570 0.070 0.000 2.286 80 I HA -0.403 3.855 4.170 0.147 0.000 0.248 80 I C 1.695 177.866 176.117 0.091 0.000 1.115 80 I CA 4.039 65.403 61.300 0.108 0.000 1.392 80 I CB -0.376 37.689 38.000 0.109 0.000 1.065 80 I HN -0.248 7.980 8.210 0.031 0.000 0.418 81 R N -0.009 120.513 120.500 0.036 0.000 2.096 81 R HA -0.372 3.942 4.340 -0.044 0.000 0.235 81 R C 2.252 178.562 176.300 0.017 0.000 1.127 81 R CA 2.788 58.888 56.100 0.000 0.000 0.968 81 R CB -0.867 29.431 30.300 -0.003 0.000 0.861 81 R HN 0.129 8.213 8.270 0.030 0.204 0.440 82 E N -0.617 119.618 120.200 0.058 0.000 2.077 82 E HA -0.323 4.039 4.350 0.020 0.000 0.193 82 E C 2.009 178.655 176.600 0.076 0.000 0.989 82 E CA 2.878 59.311 56.400 0.055 0.000 0.800 82 E CB -0.740 28.999 29.700 0.065 0.000 0.746 82 E HN 0.101 8.505 8.360 0.073 0.000 0.452 83 F N 1.657 121.596 119.950 -0.018 0.000 2.102 83 F HA -0.343 4.189 4.527 0.008 0.000 0.298 83 F C 1.405 177.176 175.800 -0.049 0.000 1.105 83 F CA 3.512 61.508 58.000 -0.008 0.000 1.239 83 F CB 0.080 39.101 39.000 0.034 0.000 0.991 83 F HN -0.732 7.724 8.300 0.260 0.000 0.474 84 L N -2.272 118.889 121.223 -0.102 0.000 2.141 84 L HA -0.444 3.675 4.340 -0.368 0.000 0.209 84 L C 2.292 179.045 176.870 -0.195 0.000 1.094 84 L CA 2.543 57.234 54.840 -0.248 0.000 0.763 84 L CB -0.736 41.176 42.059 -0.245 0.000 0.908 84 L HN 0.111 8.375 8.230 0.058 0.000 0.437 85 R N -0.184 120.242 120.500 -0.123 0.000 2.088 85 R HA -0.338 3.952 4.340 -0.083 0.000 0.232 85 R C 2.406 178.639 176.300 -0.111 0.000 1.136 85 R CA 3.428 59.473 56.100 -0.092 0.000 0.926 85 R CB -0.630 29.639 30.300 -0.050 0.000 0.837 85 R HN 0.355 8.354 8.270 -0.082 0.221 0.429 86 G N -3.091 105.633 108.800 -0.127 0.000 2.404 86 G HA2 -0.248 3.662 3.960 -0.084 0.000 0.215 86 G HA3 -0.248 3.645 3.960 -0.113 0.000 0.215 86 G C 1.292 176.094 174.900 -0.164 0.000 1.174 86 G CA 1.995 47.022 45.100 -0.122 0.000 0.780 86 G HN -0.352 7.867 8.290 -0.120 0.000 0.537 87 C N 0.741 119.871 119.300 -0.284 0.000 2.419 87 C HA -0.368 3.967 4.460 -0.209 0.000 0.281 87 C C 2.005 176.889 174.990 -0.177 0.000 1.336 87 C CA 4.538 63.387 59.018 -0.282 0.000 1.770 87 C CB -0.201 27.233 27.740 -0.510 0.000 1.929 87 C HN -0.171 7.827 8.230 -0.387 0.000 0.509 88 G N -2.160 106.540 108.800 -0.166 0.000 2.492 88 G HA2 -0.106 3.796 3.960 -0.097 0.000 0.214 88 G HA3 -0.106 3.854 3.960 -0.113 -0.068 0.214 88 G C 0.140 174.993 174.900 -0.079 0.000 1.147 88 G CA 0.978 46.012 45.100 -0.111 0.000 0.809 88 G HN 0.030 8.085 8.290 -0.196 0.118 0.533 89 A N 1.412 124.185 122.820 -0.078 0.000 1.864 89 A HA 0.188 4.480 4.320 -0.047 0.000 0.213 89 A C 0.664 178.219 177.584 -0.048 0.000 1.266 89 A CA 1.973 53.977 52.037 -0.055 0.000 0.612 89 A CB -0.370 18.600 19.000 -0.051 0.000 0.940 89 A HN -0.040 7.967 8.150 -0.096 0.085 0.463 90 S N -1.450 114.219 115.700 -0.051 0.000 2.338 90 S HA -0.164 4.288 4.470 -0.030 0.000 0.218 90 S C 1.805 176.383 174.600 -0.036 0.000 1.032 90 S CA 2.511 60.688 58.200 -0.038 0.000 0.999 90 S CB 0.294 63.472 63.200 -0.036 0.000 0.905 90 S HN -0.566 7.707 8.310 -0.061 0.000 0.439 91 L N -1.980 119.214 121.223 -0.048 0.000 2.162 91 L HA -0.045 4.279 4.340 -0.025 0.000 0.205 91 L C -0.341 176.506 176.870 -0.038 0.000 1.086 91 L CA 0.479 55.296 54.840 -0.039 0.000 0.778 91 L CB 0.881 42.912 42.059 -0.047 0.000 0.928 91 L HN -0.716 7.475 8.230 -0.066 0.000 0.446 92 R N -3.380 117.090 120.500 -0.051 0.000 3.336 92 R HA -0.381 4.039 4.340 -0.051 -0.110 0.260 92 R C -0.620 175.660 176.300 -0.034 0.000 1.032 92 R CA 0.634 56.708 56.100 -0.042 0.000 0.693 92 R CB -2.073 28.209 30.300 -0.030 0.000 1.134 92 R HN -0.446 7.708 8.270 -0.066 0.077 0.433 93 L N -6.852 114.347 121.223 -0.040 0.000 2.687 93 L HA 0.331 4.663 4.340 -0.013 0.000 0.252 93 L C -0.343 176.523 176.870 -0.007 0.000 1.115 93 L CA -2.209 52.619 54.840 -0.020 0.000 0.893 93 L CB 1.388 43.437 42.059 -0.016 0.000 1.670 93 L HN -0.199 7.995 8.230 -0.060 0.000 0.531 94 E N -0.626 119.585 120.200 0.019 0.000 2.463 94 E HA -0.114 4.257 4.350 0.035 0.000 0.248 94 E C -0.383 176.271 176.600 0.089 0.000 1.106 94 E CA 0.326 56.754 56.400 0.047 0.000 0.946 94 E CB -1.385 28.348 29.700 0.055 0.000 0.971 94 E HN 0.300 8.670 8.360 0.017 0.000 0.478 95 T N 0.289 114.880 114.554 0.061 0.000 2.944 95 T HA 0.173 4.561 4.350 0.064 0.000 0.284 95 T C -0.913 173.873 174.700 0.143 0.000 1.010 95 T CA -1.129 60.994 62.100 0.040 0.000 1.025 95 T CB 1.804 70.624 68.868 -0.081 0.000 1.079 95 T HN -0.382 7.879 8.240 0.035 0.000 0.516 96 F N -3.002 116.974 119.950 0.043 0.000 2.764 96 F HA 0.194 4.737 4.527 0.027 0.000 0.347 96 F C -1.911 173.920 175.800 0.051 0.000 1.151 96 F CA -2.408 55.616 58.000 0.041 0.000 1.021 96 F CB 1.943 40.964 39.000 0.035 0.000 1.438 96 F HN -0.348 7.681 8.300 -0.452 0.000 0.516 97 D N 1.470 122.023 120.400 0.254 0.000 2.177 97 D HA 0.182 4.824 4.640 0.002 0.000 0.247 97 D C 0.459 176.910 176.300 0.251 0.000 1.063 97 D CA -0.315 53.766 54.000 0.135 0.000 0.867 97 D CB 1.859 42.736 40.800 0.129 0.000 1.168 97 D HN -0.172 8.666 8.370 0.386 -0.236 0.445 98 A N 3.646 126.535 122.820 0.115 0.000 1.986 98 A HA -0.379 4.096 4.320 0.258 0.000 0.220 98 A C 1.046 178.783 177.584 0.255 0.000 1.171 98 A CA 3.361 55.506 52.037 0.179 0.000 0.640 98 A CB -0.449 18.590 19.000 0.065 0.000 0.811 98 A HN 0.745 8.909 8.150 0.023 0.000 0.451 99 N N -2.591 116.234 118.700 0.209 0.000 2.244 99 N HA -0.302 4.597 4.740 0.264 0.000 0.183 99 N C 2.222 177.849 175.510 0.196 0.000 1.016 99 N CA 3.550 56.725 53.050 0.208 0.000 0.866 99 N CB -0.672 37.901 38.487 0.143 0.000 0.980 99 N HN 0.349 8.801 8.380 0.162 0.025 0.430 100 D N 0.774 121.304 120.400 0.217 0.000 2.097 100 D HA -0.275 4.443 4.640 0.130 0.000 0.195 100 D C 2.013 178.409 176.300 0.160 0.000 0.989 100 D CA 3.314 57.419 54.000 0.174 0.000 0.827 100 D CB -0.159 40.750 40.800 0.181 0.000 0.966 100 D HN -0.249 8.142 8.370 0.253 0.131 0.456 101 L N -0.311 121.041 121.223 0.215 0.000 2.049 101 L HA -0.170 4.267 4.340 0.162 0.000 0.203 101 L C 2.308 179.303 176.870 0.209 0.000 1.074 101 L CA 2.725 57.679 54.840 0.190 0.000 0.749 101 L CB -0.068 42.122 42.059 0.218 0.000 0.907 101 L HN -0.813 7.614 8.230 0.328 0.000 0.439 102 Y N -1.360 119.004 120.300 0.106 0.000 2.181 102 Y HA -0.297 4.283 4.550 0.049 0.000 0.288 102 Y C 1.055 176.981 175.900 0.044 0.000 1.146 102 Y CA 2.631 60.769 58.100 0.064 0.000 1.164 102 Y CB 0.239 38.734 38.460 0.059 0.000 0.982 102 Y HN 0.023 8.526 8.280 0.370 0.000 0.515 103 Q N -4.086 115.696 119.800 -0.031 0.000 2.247 103 Q HA 0.106 4.275 4.340 -0.284 0.000 0.204 103 Q C 0.135 176.105 176.000 -0.049 0.000 0.872 103 Q CA -0.934 54.794 55.803 -0.125 0.000 0.951 103 Q CB 0.990 29.703 28.738 -0.043 0.000 1.099 103 Q HN -0.362 7.873 8.270 0.128 0.112 0.501 104 G N 0.245 109.048 108.800 0.005 0.000 2.338 104 G HA2 -0.322 3.732 3.960 0.071 0.000 0.296 104 G HA3 -0.322 3.629 3.960 -0.016 0.000 0.296 104 G C 0.057 174.980 174.900 0.040 0.000 1.040 104 G CA 1.020 46.135 45.100 0.025 0.000 1.004 104 G HN -0.551 7.566 8.290 0.037 0.195 0.509 105 Q N -1.212 118.626 119.800 0.064 0.000 1.868 105 Q HA -0.100 4.264 4.340 0.041 0.000 0.233 105 Q C 0.456 176.500 176.000 0.073 0.000 0.967 105 Q CA 1.695 57.533 55.803 0.059 0.000 0.863 105 Q CB 0.967 29.744 28.738 0.065 0.000 0.907 105 Q HN 0.102 8.305 8.270 0.081 0.116 0.442 106 N N 1.488 120.235 118.700 0.079 0.000 2.817 106 N HA 0.175 4.962 4.740 0.077 0.000 0.234 106 N C -0.858 174.685 175.510 0.056 0.000 1.066 106 N CA -0.654 52.438 53.050 0.070 0.000 0.926 106 N CB -0.084 38.435 38.487 0.052 0.000 1.176 106 N HN -0.598 8.026 8.380 0.083 -0.194 0.506 107 F N 5.145 125.064 119.950 -0.052 0.000 2.325 107 F HA -0.301 4.136 4.527 -0.149 0.000 0.299 107 F C 0.235 175.979 175.800 -0.093 0.000 1.090 107 F CA 3.303 61.245 58.000 -0.095 0.000 1.392 107 F CB 0.916 39.873 39.000 -0.072 0.000 1.053 107 F HN -0.377 8.059 8.300 0.225 0.000 0.521 108 N N -1.782 116.923 118.700 0.009 0.000 2.091 108 N HA -0.465 4.264 4.740 -0.018 0.000 0.193 108 N C 1.669 177.092 175.510 -0.146 0.000 1.021 108 N CA 3.100 56.123 53.050 -0.045 0.000 0.862 108 N CB -1.418 37.082 38.487 0.021 0.000 1.018 108 N HN 0.592 9.020 8.380 0.112 0.019 0.429 109 K N 0.237 120.554 120.400 -0.139 0.000 2.062 109 K HA -0.227 4.061 4.320 -0.054 0.000 0.205 109 K C 2.116 178.553 176.600 -0.271 0.000 1.051 109 K CA 2.806 59.028 56.287 -0.109 0.000 0.941 109 K CB -0.106 32.398 32.500 0.007 0.000 0.719 109 K HN -0.797 7.389 8.250 -0.095 0.007 0.440 110 V N 0.683 120.218 119.914 -0.632 0.000 2.287 110 V HA -0.529 2.673 4.120 -1.530 0.000 0.248 110 V C 1.746 177.390 176.094 -0.750 0.000 1.053 110 V CA 4.256 65.888 62.300 -1.114 0.000 1.027 110 V CB -0.182 30.826 31.823 -1.359 0.000 0.646 110 V HN -0.874 6.904 8.190 -0.562 0.075 0.447 111 L N -0.894 119.814 121.223 -0.858 0.000 2.046 111 L HA -0.393 3.698 4.340 -0.416 0.000 0.208 111 L C 1.155 177.908 176.870 -0.195 0.000 1.077 111 L CA 3.090 57.643 54.840 -0.479 0.000 0.747 111 L CB -0.710 41.148 42.059 -0.335 0.000 0.896 111 L HN 0.542 8.107 8.230 -1.109 0.000 0.432 112 S N -1.801 113.803 115.700 -0.161 0.000 2.383 112 S HA -0.440 4.002 4.470 -0.048 0.000 0.229 112 S C 2.322 176.918 174.600 -0.008 0.000 1.030 112 S CA 3.728 61.892 58.200 -0.060 0.000 1.002 112 S CB -0.566 62.612 63.200 -0.035 0.000 0.829 112 S HN -0.253 7.927 8.310 -0.216 0.000 0.467 113 S N 2.472 118.189 115.700 0.029 0.000 2.356 113 S HA -0.242 4.398 4.470 0.146 -0.082 0.223 113 S C 2.102 176.821 174.600 0.199 0.000 1.032 113 S CA 3.344 61.648 58.200 0.174 0.000 1.005 113 S CB -0.160 63.296 63.200 0.428 0.000 0.867 113 S HN -0.284 7.910 8.310 -0.043 0.090 0.449 114 L N 0.860 122.181 121.223 0.163 0.000 2.017 114 L HA -0.453 4.154 4.340 0.445 0.000 0.208 114 L C 1.992 178.885 176.870 0.040 0.000 1.073 114 L CA 3.340 58.321 54.840 0.234 0.000 0.745 114 L CB -0.293 41.876 42.059 0.183 0.000 0.894 114 L HN -0.155 8.102 8.230 0.046 0.000 0.432 115 V N -0.572 119.314 119.914 -0.046 0.000 2.332 115 V HA -0.576 3.394 4.120 -0.249 0.000 0.248 115 V C 2.491 178.499 176.094 -0.144 0.000 1.055 115 V CA 4.734 66.949 62.300 -0.141 0.000 1.038 115 V CB -0.297 31.476 31.823 -0.083 0.000 0.651 115 V HN 0.479 8.654 8.190 -0.024 0.000 0.450 116 T N 1.588 116.110 114.554 -0.053 0.000 2.788 116 T HA -0.331 3.988 4.350 -0.051 0.000 0.268 116 T C 1.381 176.065 174.700 -0.026 0.000 1.044 116 T CA 4.924 67.005 62.100 -0.033 0.000 1.139 116 T CB -0.380 68.492 68.868 0.006 0.000 0.867 116 T HN -0.075 8.154 8.240 -0.018 0.000 0.454 117 L N 1.032 122.274 121.223 0.031 0.000 2.079 117 L HA -0.342 4.059 4.340 0.102 0.000 0.210 117 L C 1.248 178.131 176.870 0.022 0.000 1.081 117 L CA 3.242 58.155 54.840 0.122 0.000 0.752 117 L CB -0.290 41.996 42.059 0.380 0.000 0.896 117 L HN 0.227 8.317 8.230 0.070 0.182 0.433 118 N N -1.104 117.377 118.700 -0.364 0.000 2.216 118 N HA -0.294 4.147 4.740 -0.498 0.000 0.183 118 N C 2.047 177.402 175.510 -0.259 0.000 1.017 118 N CA 3.459 56.134 53.050 -0.625 0.000 0.861 118 N CB 0.218 37.983 38.487 -1.204 0.000 0.986 118 N HN -0.138 7.909 8.380 -0.413 0.085 0.428 119 K N -0.043 120.247 120.400 -0.184 0.000 2.026 119 K HA -0.337 3.919 4.320 -0.107 0.000 0.208 119 K C 2.476 179.047 176.600 -0.048 0.000 1.048 119 K CA 3.473 59.700 56.287 -0.100 0.000 0.929 119 K CB 0.098 32.553 32.500 -0.075 0.000 0.713 119 K HN -0.112 7.932 8.250 -0.199 0.087 0.439 120 V N -3.713 116.186 119.914 -0.025 0.000 2.427 120 V HA -0.347 3.770 4.120 -0.004 0.000 0.248 120 V C 1.477 177.584 176.094 0.022 0.000 1.051 120 V CA 3.854 66.155 62.300 0.001 0.000 1.048 120 V CB -0.681 31.147 31.823 0.009 0.000 0.666 120 V HN 0.241 8.413 8.190 -0.030 0.000 0.456 121 T N -0.438 114.145 114.554 0.048 0.000 2.821 121 T HA -0.349 4.046 4.350 0.076 0.000 0.267 121 T C 1.407 176.142 174.700 0.058 0.000 1.046 121 T CA 3.575 65.725 62.100 0.084 0.000 1.139 121 T CB -0.572 68.405 68.868 0.181 0.000 0.871 121 T HN -0.566 7.702 8.240 0.047 0.000 0.454 122 A N 0.840 123.674 122.820 0.024 0.000 1.933 122 A HA -0.334 4.002 4.320 0.027 0.000 0.218 122 A C 1.595 179.183 177.584 0.007 0.000 1.175 122 A CA 2.773 54.815 52.037 0.008 0.000 0.628 122 A CB -0.688 18.294 19.000 -0.030 0.000 0.814 122 A HN -0.013 8.136 8.150 -0.001 0.000 0.444 123 D N -1.701 118.701 120.400 0.002 0.000 2.178 123 D HA -0.238 4.401 4.640 -0.001 0.000 0.201 123 D C 1.853 178.159 176.300 0.010 0.000 0.980 123 D CA 2.516 56.517 54.000 0.002 0.000 0.842 123 D CB 0.133 40.932 40.800 -0.002 0.000 0.948 123 D HN -0.429 7.860 8.370 -0.004 0.079 0.472 124 I N -2.738 117.843 120.570 0.019 0.000 2.493 124 I HA -0.197 3.983 4.170 0.016 0.000 0.254 124 I C 0.667 176.797 176.117 0.023 0.000 1.160 124 I CA 1.289 62.602 61.300 0.022 0.000 1.445 124 I CB 0.421 38.440 38.000 0.031 0.000 1.086 124 I HN -0.474 7.646 8.210 0.023 0.104 0.433 125 G N -0.681 108.135 108.800 0.026 0.000 2.255 125 G HA2 -0.342 3.702 3.960 0.023 0.000 0.239 125 G HA3 -0.342 3.630 3.960 0.020 0.000 0.239 125 G C -0.522 174.398 174.900 0.034 0.000 1.083 125 G CA -0.355 44.760 45.100 0.025 0.000 0.826 125 G HN -0.682 7.467 8.290 0.027 0.157 0.493 126 L N 0.000 121.252 121.223 0.048 0.000 2.949 126 L HA 0.000 4.369 4.340 0.048 0.000 0.249 126 L CA 0.000 54.875 54.840 0.058 0.000 0.813 126 L CB 0.000 42.110 42.059 0.084 0.000 0.961 126 L HN 0.000 8.261 8.230 0.052 0.000 0.502