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 1cmo_1_A DATA FIRST_RESID 52 DATA SEQUENCE VEVLADHPGE LVRTDSPNFL CSVLPTHWRS NKTLPIAFKV VALGDVPDGT DATA SEQUENCE LVTVMAGNDE NYSAELRNAT AAMKNQVARF NDLRFVGRSG RGKSFTLTIT DATA SEQUENCE VFTNPPQVAT YHRAIKITVD GPREPRR 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 52 V HA 0.000 4.124 4.120 0.006 0.000 0.244 52 V C 0.000 176.104 176.094 0.016 0.000 1.182 52 V CA 0.000 62.305 62.300 0.008 0.000 1.235 52 V CB 0.000 31.827 31.823 0.007 0.000 1.184 53 E N 5.118 125.328 120.200 0.017 0.000 2.209 53 E HA -0.238 4.124 4.350 0.020 0.000 0.196 53 E C 1.700 178.329 176.600 0.048 0.000 0.993 53 E CA 2.389 58.803 56.400 0.025 0.000 0.819 53 E CB 0.181 29.893 29.700 0.020 0.000 0.745 53 E HN 0.538 8.905 8.360 0.013 0.000 0.477 54 V N -1.370 118.573 119.914 0.048 0.000 2.427 54 V HA -0.317 3.881 4.120 0.130 0.000 0.248 54 V C 0.352 176.503 176.094 0.095 0.000 1.051 54 V CA 3.062 65.408 62.300 0.077 0.000 1.048 54 V CB 0.053 31.887 31.823 0.019 0.000 0.666 54 V HN -0.116 8.066 8.190 0.030 0.026 0.456 55 L N -3.324 117.931 121.223 0.053 0.000 2.645 55 L HA -0.050 4.331 4.340 0.069 0.000 0.234 55 L C 0.164 177.067 176.870 0.055 0.000 1.165 55 L CA -0.260 54.611 54.840 0.052 0.000 0.944 55 L CB -1.563 40.510 42.059 0.023 0.000 1.149 55 L HN -0.661 7.589 8.230 0.034 0.000 0.446 56 A N 1.394 124.248 122.820 0.057 0.000 1.878 56 A HA -0.103 4.230 4.320 0.021 0.000 0.215 56 A C 0.920 178.518 177.584 0.023 0.000 1.310 56 A CA 2.281 54.336 52.037 0.030 0.000 0.612 56 A CB 0.570 19.581 19.000 0.019 0.000 0.989 56 A HN -0.557 7.433 8.150 0.071 0.203 0.472 57 D N -2.571 117.833 120.400 0.007 0.000 2.162 57 D HA -0.198 4.421 4.640 -0.035 0.000 0.203 57 D C 1.010 177.279 176.300 -0.051 0.000 0.967 57 D CA 1.743 55.716 54.000 -0.045 0.000 0.840 57 D CB 0.088 40.829 40.800 -0.098 0.000 0.972 57 D HN -0.013 8.365 8.370 0.014 0.000 0.482 58 H N -0.114 118.952 119.070 -0.007 0.000 2.265 58 H HA -0.159 4.394 4.556 -0.006 0.000 0.293 58 H C -0.978 174.347 175.328 -0.005 0.000 1.089 58 H CA 1.999 58.044 56.048 -0.006 0.000 1.244 58 H CB -1.282 28.477 29.762 -0.005 0.000 1.355 58 H HN 0.088 8.422 8.280 0.089 0.000 0.485 59 P HA 0.035 4.494 4.420 0.064 0.000 0.277 59 P C -1.322 175.997 177.300 0.032 0.000 1.271 59 P CA -0.534 62.604 63.100 0.064 0.000 0.795 59 P CB 0.889 32.619 31.700 0.050 0.000 1.101 60 G N -3.619 105.194 108.800 0.021 0.000 2.649 60 G HA2 0.177 4.139 3.960 0.004 0.000 0.290 60 G HA3 0.177 4.140 3.960 0.004 0.000 0.290 60 G C -2.080 172.824 174.900 0.007 0.000 1.426 60 G CA -0.315 44.789 45.100 0.008 0.000 0.794 60 G HN -0.242 8.062 8.290 0.024 0.000 0.483 61 E N -0.412 119.789 120.200 0.001 0.000 2.263 61 E HA 0.338 4.690 4.350 0.002 0.000 0.268 61 E C -1.844 174.753 176.600 -0.004 0.000 0.884 61 E CA -0.536 55.864 56.400 -0.002 0.000 0.766 61 E CB 1.733 31.429 29.700 -0.006 0.000 1.196 61 E HN 0.132 8.490 8.360 -0.002 0.000 0.416 62 L N 1.037 122.259 121.223 -0.001 0.000 2.409 62 L HA 0.724 5.261 4.340 0.003 -0.195 0.255 62 L C -0.544 176.328 176.870 0.005 0.000 1.027 62 L CA -0.972 53.870 54.840 0.004 0.000 0.834 62 L CB 3.602 45.668 42.059 0.012 0.000 1.426 62 L HN 0.118 8.349 8.230 0.002 0.000 0.411 63 V N 1.608 121.529 119.914 0.012 0.000 2.435 63 V HA 0.126 4.260 4.120 0.025 0.000 0.290 63 V C -1.000 175.139 176.094 0.074 0.000 1.030 63 V CA -1.461 60.855 62.300 0.027 0.000 0.881 63 V CB 1.569 33.379 31.823 -0.022 0.000 0.983 63 V HN 0.135 8.338 8.190 0.022 0.000 0.445 64 R N 7.659 128.213 120.500 0.090 0.000 2.347 64 R HA 0.023 4.411 4.340 0.080 0.000 0.304 64 R C -0.525 175.848 176.300 0.122 0.000 1.072 64 R CA 0.016 56.170 56.100 0.091 0.000 0.980 64 R CB 0.132 30.474 30.300 0.070 0.000 0.986 64 R HN 0.449 8.773 8.270 0.090 0.000 0.448 65 T N 0.002 114.629 114.554 0.122 0.000 2.926 65 T HA 0.338 4.780 4.350 0.153 0.000 0.289 65 T C -0.350 174.415 174.700 0.107 0.000 1.054 65 T CA -2.098 60.085 62.100 0.139 0.000 1.015 65 T CB 2.995 71.966 68.868 0.171 0.000 1.167 65 T HN -0.198 8.109 8.240 0.111 0.000 0.526 66 D N -0.615 119.843 120.400 0.098 0.000 2.178 66 D HA -0.168 4.510 4.640 0.064 0.000 0.201 66 D C 0.641 176.977 176.300 0.061 0.000 0.980 66 D CA 2.957 56.998 54.000 0.069 0.000 0.842 66 D CB 0.208 41.041 40.800 0.055 0.000 0.948 66 D HN 0.516 8.951 8.370 0.110 0.000 0.472 67 S N -1.259 114.484 115.700 0.072 0.000 2.523 67 S HA 0.109 4.605 4.470 0.044 0.000 0.275 67 S C -1.545 173.117 174.600 0.103 0.000 1.281 67 S CA -1.576 56.666 58.200 0.071 0.000 1.050 67 S CB 1.068 64.302 63.200 0.057 0.000 0.937 67 S HN -0.715 7.633 8.310 0.088 0.015 0.492 68 P HA 0.122 4.588 4.420 0.076 0.000 0.253 68 P C -1.135 176.222 177.300 0.095 0.000 1.260 68 P CA 0.527 63.674 63.100 0.078 0.000 0.800 68 P CB 0.484 32.218 31.700 0.056 0.000 1.162 69 N N -2.424 116.362 118.700 0.143 0.000 2.382 69 N HA 0.058 4.861 4.740 0.105 0.000 0.200 69 N C -1.328 174.325 175.510 0.238 0.000 1.122 69 N CA 0.761 53.912 53.050 0.168 0.000 0.870 69 N CB 2.173 40.775 38.487 0.192 0.000 1.176 69 N HN 0.188 8.570 8.380 0.159 0.093 0.474 70 F N 0.452 120.416 119.950 0.024 0.000 2.405 70 F HA 0.382 5.058 4.527 0.028 -0.132 0.355 70 F C -0.771 175.059 175.800 0.051 0.000 1.121 70 F CA 0.037 58.057 58.000 0.034 0.000 1.112 70 F CB 0.886 39.907 39.000 0.035 0.000 1.126 70 F HN -0.462 8.063 8.300 0.374 0.000 0.481 71 L N 3.577 124.815 121.223 0.024 0.000 2.401 71 L HA 0.420 4.823 4.340 0.105 0.000 0.266 71 L C -1.348 175.550 176.870 0.047 0.000 0.991 71 L CA -2.566 52.306 54.840 0.054 0.000 0.818 71 L CB 4.101 46.173 42.059 0.021 0.000 1.321 71 L HN 1.235 9.267 8.230 -0.151 0.108 0.413 72 C N 2.986 122.346 119.300 0.099 0.000 2.307 72 C HA 0.366 4.962 4.460 0.227 0.000 0.340 72 C C 1.483 176.532 174.990 0.099 0.000 1.275 72 C CA -1.350 57.770 59.018 0.169 0.000 1.811 72 C CB 0.823 28.662 27.740 0.165 0.000 2.372 72 C HN 0.355 8.639 8.230 0.090 0.000 0.531 73 S N 3.986 119.754 115.700 0.114 0.000 2.368 73 S HA -0.083 4.497 4.470 0.020 -0.098 0.224 73 S C -0.090 174.528 174.600 0.029 0.000 1.029 73 S CA 3.012 61.241 58.200 0.049 0.000 0.988 73 S CB 0.381 63.599 63.200 0.031 0.000 0.838 73 S HN 0.251 8.655 8.310 0.157 0.000 0.462 74 V N -0.789 119.158 119.914 0.054 0.000 2.863 74 V HA -0.044 4.046 4.120 -0.050 0.000 0.307 74 V C -0.521 175.468 176.094 -0.175 0.000 1.061 74 V CA -0.340 61.929 62.300 -0.052 0.000 1.024 74 V CB 1.061 32.860 31.823 -0.041 0.000 1.049 74 V HN -0.457 7.837 8.190 0.173 0.000 0.471 75 L N 2.462 123.543 121.223 -0.236 0.000 2.494 75 L HA 0.448 4.602 4.340 -0.309 0.000 0.251 75 L C -1.330 175.202 176.870 -0.564 0.000 1.119 75 L CA -2.667 51.978 54.840 -0.325 0.000 1.026 75 L CB -0.824 41.112 42.059 -0.205 0.000 1.370 75 L HN 0.037 8.149 8.230 -0.197 0.000 0.426 76 P HA 0.082 4.143 4.420 -0.743 -0.086 0.279 76 P C 0.217 177.228 177.300 -0.481 0.000 1.451 76 P CA -0.468 62.261 63.100 -0.619 0.000 0.783 76 P CB -1.358 30.017 31.700 -0.541 0.000 1.490 77 T N -4.672 109.586 114.554 -0.492 0.000 2.946 77 T HA -0.329 3.968 4.350 -0.089 0.000 0.271 77 T C -0.521 174.149 174.700 -0.049 0.000 1.104 77 T CA 2.379 64.372 62.100 -0.178 0.000 1.114 77 T CB 0.381 69.213 68.868 -0.061 0.000 0.867 77 T HN 0.045 7.802 8.240 -0.557 0.149 0.513 78 H N -3.817 115.254 119.070 0.002 0.000 2.908 78 H HA 0.446 5.055 4.556 0.087 0.000 0.350 78 H C -2.768 172.624 175.328 0.106 0.000 1.217 78 H CA -2.314 53.766 56.048 0.053 0.000 1.168 78 H CB 1.850 31.617 29.762 0.009 0.000 1.891 78 H HN -0.847 6.869 8.280 -0.820 0.071 0.566 79 W N -0.686 120.742 121.300 0.214 0.000 3.118 79 W HA 0.253 4.983 4.660 0.116 0.000 0.328 79 W C -2.160 174.404 176.519 0.075 0.000 1.239 79 W CA -0.335 57.076 57.345 0.110 0.000 1.176 79 W CB 4.143 33.630 29.460 0.045 0.000 1.433 79 W HN -0.076 8.360 8.180 0.428 0.000 0.562 80 R N 3.625 124.249 120.500 0.206 0.000 2.644 80 R HA 0.233 4.685 4.340 0.186 0.000 0.271 80 R C -2.029 174.431 176.300 0.267 0.000 1.687 80 R CA 0.112 56.314 56.100 0.171 0.000 1.655 80 R CB 0.362 30.657 30.300 -0.008 0.000 1.285 80 R HN 0.260 8.400 8.270 -0.216 0.000 0.643 81 S N 3.324 119.295 115.700 0.451 0.000 2.594 81 S HA 0.335 5.085 4.470 0.290 -0.105 0.322 81 S C -0.550 174.168 174.600 0.197 0.000 1.085 81 S CA -1.106 57.309 58.200 0.359 0.000 1.116 81 S CB 1.023 64.522 63.200 0.498 0.000 0.979 81 S HN -0.039 8.570 8.310 0.498 0.000 0.465 82 N N 5.391 124.173 118.700 0.137 0.000 2.223 82 N HA -0.227 4.561 4.740 0.079 0.000 0.185 82 N C 0.280 175.838 175.510 0.080 0.000 1.016 82 N CA 1.655 54.758 53.050 0.089 0.000 0.863 82 N CB 0.375 38.902 38.487 0.066 0.000 0.983 82 N HN 0.538 8.997 8.380 0.132 0.000 0.429 83 K N -5.028 115.429 120.400 0.097 0.000 1.679 83 K HA 0.154 4.511 4.320 0.061 0.000 0.300 83 K C -0.471 176.189 176.600 0.099 0.000 0.874 83 K CA -0.053 56.280 56.287 0.077 0.000 0.404 83 K CB -0.527 32.008 32.500 0.058 0.000 3.194 83 K HN -0.725 7.575 8.250 0.122 0.023 1.138 84 T N 2.339 116.946 114.554 0.088 0.000 3.667 84 T HA 0.004 4.421 4.350 0.112 0.000 0.240 84 T C -1.096 173.686 174.700 0.136 0.000 0.919 84 T CA 1.045 63.207 62.100 0.104 0.000 0.928 84 T CB -1.172 67.742 68.868 0.076 0.000 1.151 84 T HN 0.076 8.359 8.240 0.071 0.000 0.644 85 L N 3.958 125.283 121.223 0.170 0.000 2.435 85 L HA 0.501 4.930 4.340 0.148 0.000 0.253 85 L C -2.794 174.245 176.870 0.282 0.000 1.087 85 L CA -3.779 51.167 54.840 0.177 0.000 0.950 85 L CB 1.494 43.633 42.059 0.133 0.000 1.304 85 L HN -0.328 7.876 8.230 0.176 0.132 0.453 86 P HA 0.462 5.438 4.420 0.927 0.000 0.293 86 P C -0.883 176.532 177.300 0.192 0.000 1.304 86 P CA -1.640 61.774 63.100 0.523 0.000 0.767 86 P CB 1.161 33.178 31.700 0.530 0.000 1.247 87 I N -6.761 113.768 120.570 -0.068 0.000 2.603 87 I HA 0.314 4.373 4.170 -0.184 0.000 0.300 87 I C -1.819 174.213 176.117 -0.142 0.000 1.017 87 I CA -1.683 59.402 61.300 -0.357 0.000 1.098 87 I CB 2.421 39.868 38.000 -0.921 0.000 1.279 87 I HN -0.280 8.021 8.210 0.152 0.000 0.437 88 A N 5.086 127.901 122.820 -0.008 0.000 2.355 88 A HA 0.378 4.887 4.320 0.316 0.000 0.317 88 A C -1.482 176.256 177.584 0.256 0.000 1.094 88 A CA -0.695 51.459 52.037 0.195 0.000 0.764 88 A CB 2.015 21.108 19.000 0.156 0.000 1.230 88 A HN 0.012 8.134 8.150 -0.047 0.000 0.448 89 F N -0.645 119.410 119.950 0.176 0.000 2.631 89 F HA 0.411 4.944 4.527 0.010 0.000 0.328 89 F C -2.474 173.433 175.800 0.179 0.000 1.067 89 F CA -2.904 55.163 58.000 0.112 0.000 0.969 89 F CB 2.488 41.513 39.000 0.041 0.000 1.332 89 F HN -0.192 8.541 8.300 0.722 0.000 0.490 90 K N -2.452 117.900 120.400 -0.080 0.000 2.267 90 K HA 0.381 4.431 4.320 -0.628 -0.107 0.246 90 K C -1.611 174.902 176.600 -0.145 0.000 0.954 90 K CA -1.577 54.525 56.287 -0.310 0.000 0.824 90 K CB 2.985 35.357 32.500 -0.212 0.000 1.167 90 K HN -0.096 8.238 8.250 0.141 0.000 0.431 91 V N 1.940 121.711 119.914 -0.238 0.000 2.398 91 V HA 0.266 4.503 4.120 0.034 -0.096 0.286 91 V C -1.320 174.627 176.094 -0.245 0.000 1.026 91 V CA -0.709 61.516 62.300 -0.126 0.000 0.868 91 V CB 1.084 32.843 31.823 -0.107 0.000 0.982 91 V HN -0.217 7.739 8.190 -0.391 0.000 0.443 92 V N 7.792 127.570 119.914 -0.226 0.000 2.398 92 V HA 0.294 4.267 4.120 -0.244 0.000 0.286 92 V C -1.986 173.873 176.094 -0.392 0.000 1.026 92 V CA -1.236 60.915 62.300 -0.248 0.000 0.868 92 V CB 1.955 33.698 31.823 -0.134 0.000 0.982 92 V HN 1.171 9.169 8.190 -0.143 0.106 0.443 93 A N 6.897 129.466 122.820 -0.418 0.000 2.330 93 A HA 0.878 5.152 4.320 -0.449 -0.223 0.313 93 A C -1.210 176.291 177.584 -0.139 0.000 1.124 93 A CA -1.773 50.002 52.037 -0.438 0.000 0.774 93 A CB 2.358 20.956 19.000 -0.670 0.000 1.198 93 A HN 0.069 8.025 8.150 -0.322 0.000 0.465 94 L N 0.594 121.794 121.223 -0.038 0.000 2.653 94 L HA 0.196 4.524 4.340 -0.020 0.000 0.231 94 L C 0.487 177.381 176.870 0.040 0.000 1.153 94 L CA -0.466 54.374 54.840 0.000 0.000 0.933 94 L CB -0.144 41.922 42.059 0.012 0.000 1.175 94 L HN 0.652 8.751 8.230 -0.006 0.128 0.473 95 G N -0.992 107.858 108.800 0.084 0.000 2.543 95 G HA2 -0.009 3.998 3.960 0.079 0.000 0.290 95 G HA3 -0.009 4.044 3.960 0.156 0.000 0.290 95 G C -1.697 173.247 174.900 0.073 0.000 1.310 95 G CA -1.663 43.498 45.100 0.103 0.000 1.025 95 G HN -0.746 7.511 8.290 0.095 0.090 0.502 96 D N -0.437 120.002 120.400 0.066 0.000 2.393 96 D HA -0.064 4.598 4.640 0.036 0.000 0.232 96 D C -1.918 174.417 176.300 0.058 0.000 1.192 96 D CA 0.451 54.479 54.000 0.047 0.000 0.882 96 D CB -0.796 40.026 40.800 0.037 0.000 1.038 96 D HN 0.121 8.532 8.370 0.068 0.000 0.499 97 V N 4.704 124.649 119.914 0.052 0.000 4.390 97 V HA 0.408 4.560 4.120 0.052 0.000 0.446 97 V C -3.004 173.108 176.094 0.030 0.000 1.402 97 V CA -2.003 60.332 62.300 0.058 0.000 2.190 97 V CB 1.811 33.700 31.823 0.111 0.000 0.650 97 V HN -0.389 7.823 8.190 0.037 0.000 0.509 98 P HA 0.128 4.554 4.420 -0.011 -0.012 0.261 98 P C -0.651 176.650 177.300 0.001 0.000 1.268 98 P CA 0.455 63.554 63.100 -0.001 0.000 0.833 98 P CB -0.088 31.611 31.700 -0.003 0.000 1.231 99 D N -0.155 120.253 120.400 0.012 0.000 2.447 99 D HA -0.098 4.547 4.640 0.007 0.000 0.265 99 D C 0.036 176.343 176.300 0.013 0.000 1.250 99 D CA -1.628 52.380 54.000 0.013 0.000 1.046 99 D CB 0.241 41.054 40.800 0.022 0.000 1.095 99 D HN -0.645 7.660 8.370 0.021 0.077 0.555 100 G N -3.552 105.257 108.800 0.014 0.000 2.457 100 G HA2 -0.027 4.177 3.960 0.005 0.000 0.316 100 G HA3 -0.027 3.939 3.960 0.010 0.000 0.316 100 G C -0.815 174.104 174.900 0.030 0.000 1.030 100 G CA -0.199 44.909 45.100 0.014 0.000 1.073 100 G HN 0.003 8.302 8.290 0.015 0.000 0.430 101 T N 5.260 119.836 114.554 0.038 0.000 2.619 101 T HA 0.271 4.664 4.350 0.071 0.000 0.244 101 T C -1.680 173.063 174.700 0.070 0.000 0.893 101 T CA -1.828 60.310 62.100 0.064 0.000 1.093 101 T CB 2.611 71.523 68.868 0.073 0.000 1.567 101 T HN -0.486 7.770 8.240 0.027 0.000 0.549 102 L N -0.934 120.348 121.223 0.098 0.000 2.431 102 L HA 0.491 5.042 4.340 0.085 -0.160 0.266 102 L C -1.860 175.067 176.870 0.095 0.000 0.978 102 L CA -0.952 53.954 54.840 0.110 0.000 0.822 102 L CB 3.857 46.012 42.059 0.161 0.000 1.310 102 L HN 0.203 8.500 8.230 0.112 0.000 0.409 103 V N 1.570 121.550 119.914 0.110 0.000 2.448 103 V HA 0.466 4.624 4.120 0.064 0.000 0.295 103 V C -0.678 175.531 176.094 0.191 0.000 1.025 103 V CA -2.458 59.923 62.300 0.136 0.000 0.859 103 V CB 1.453 33.386 31.823 0.184 0.000 0.988 103 V HN 0.660 8.916 8.190 0.110 0.000 0.431 104 T N 4.417 119.065 114.554 0.156 0.000 2.887 104 T HA 0.547 5.233 4.350 0.193 -0.220 0.288 104 T C -1.585 173.208 174.700 0.156 0.000 1.021 104 T CA -2.513 59.692 62.100 0.174 0.000 1.000 104 T CB 2.831 71.811 68.868 0.186 0.000 1.034 104 T HN 0.040 8.327 8.240 0.077 0.000 0.467 105 V N 3.774 123.768 119.914 0.133 0.000 3.049 105 V HA 0.916 5.329 4.120 0.121 -0.220 0.309 105 V C -2.183 173.962 176.094 0.084 0.000 1.148 105 V CA -2.457 59.909 62.300 0.111 0.000 0.990 105 V CB 3.811 35.693 31.823 0.098 0.000 1.039 105 V HN -0.086 8.179 8.190 0.125 0.000 0.430 106 M N 1.041 120.683 119.600 0.070 0.000 2.664 106 M HA 0.523 5.040 4.480 0.062 0.000 0.279 106 M C -2.238 174.061 176.300 -0.002 0.000 1.275 106 M CA -0.926 54.401 55.300 0.044 0.000 0.829 106 M CB 3.133 35.750 32.600 0.029 0.000 1.727 106 M HN -0.355 7.978 8.290 0.071 0.000 0.459 107 A N -0.519 122.262 122.820 -0.065 0.000 3.165 107 A HA 0.536 4.784 4.320 -0.444 -0.195 0.212 107 A C -1.528 175.711 177.584 -0.575 0.000 0.935 107 A CA -0.174 51.669 52.037 -0.323 0.000 1.100 107 A CB 0.967 20.018 19.000 0.084 0.000 1.260 107 A HN 0.386 8.520 8.150 -0.027 0.000 0.532 108 G N -1.994 106.602 108.800 -0.340 0.000 2.462 108 G HA2 0.094 3.983 3.960 -0.118 0.000 0.319 108 G HA3 0.094 4.175 3.960 -0.090 -0.175 0.319 108 G C -1.264 173.452 174.900 -0.308 0.000 1.171 108 G CA -2.070 42.897 45.100 -0.221 0.000 0.920 108 G HN -0.562 7.575 8.290 -0.231 0.015 0.499 109 N N -0.492 118.101 118.700 -0.178 0.000 2.482 109 N HA 0.047 4.881 4.740 -0.096 -0.151 0.260 109 N C 1.321 176.756 175.510 -0.125 0.000 1.236 109 N CA 0.624 53.611 53.050 -0.105 0.000 0.938 109 N CB 0.970 39.437 38.487 -0.034 0.000 1.128 109 N HN 0.069 8.352 8.380 -0.161 0.000 0.448 110 D N 1.593 121.941 120.400 -0.087 0.000 2.149 110 D HA -0.224 4.367 4.640 -0.082 0.000 0.198 110 D C 0.506 176.759 176.300 -0.078 0.000 0.990 110 D CA 2.972 56.926 54.000 -0.078 0.000 0.839 110 D CB -0.214 40.549 40.800 -0.061 0.000 0.948 110 D HN 0.074 8.408 8.370 -0.060 0.000 0.460 111 E N -4.027 116.126 120.200 -0.079 0.000 2.502 111 E HA -0.078 4.235 4.350 -0.062 0.000 0.194 111 E C -0.515 176.011 176.600 -0.123 0.000 1.062 111 E CA 0.039 56.391 56.400 -0.079 0.000 0.867 111 E CB 0.003 29.665 29.700 -0.063 0.000 0.888 111 E HN 0.188 8.498 8.360 -0.070 0.008 0.510 112 N N -0.120 118.466 118.700 -0.189 0.000 2.619 112 N HA 0.134 4.687 4.740 -0.310 0.000 0.294 112 N C -1.460 173.859 175.510 -0.319 0.000 1.279 112 N CA -1.081 51.750 53.050 -0.365 0.000 0.867 112 N CB 1.687 39.815 38.487 -0.598 0.000 1.329 112 N HN -0.552 7.518 8.380 -0.168 0.209 0.557 113 Y N -3.434 116.851 120.300 -0.025 0.000 2.321 113 Y HA -0.137 4.398 4.550 -0.026 0.000 0.353 113 Y C -0.129 175.745 175.900 -0.043 0.000 1.276 113 Y CA -1.135 56.947 58.100 -0.029 0.000 1.545 113 Y CB -0.090 38.355 38.460 -0.025 0.000 1.377 113 Y HN -0.017 7.638 8.280 -1.041 0.000 0.650 114 S N 0.383 116.237 115.700 0.256 0.000 2.548 114 S HA -0.090 4.403 4.470 0.038 0.000 0.277 114 S C -0.004 174.734 174.600 0.230 0.000 1.315 114 S CA -0.382 57.899 58.200 0.134 0.000 1.050 114 S CB 0.432 63.673 63.200 0.068 0.000 0.918 114 S HN 0.016 8.468 8.310 0.237 0.000 0.497 115 A N 3.944 126.841 122.820 0.128 0.000 2.567 115 A HA -0.282 4.201 4.320 0.271 0.000 0.236 115 A C -0.701 176.917 177.584 0.056 0.000 1.088 115 A CA 1.232 53.344 52.037 0.125 0.000 0.776 115 A CB 0.451 19.457 19.000 0.010 0.000 1.033 115 A HN 0.308 8.548 8.150 0.009 -0.085 0.513 116 E N -0.450 119.749 120.200 -0.001 0.000 2.141 116 E HA 0.268 4.615 4.350 -0.005 0.000 0.259 116 E C -1.576 175.028 176.600 0.007 0.000 0.883 116 E CA -1.151 55.235 56.400 -0.023 0.000 0.744 116 E CB 0.655 30.301 29.700 -0.091 0.000 1.150 116 E HN -0.189 8.163 8.360 -0.014 0.000 0.420 117 L N 3.804 125.056 121.223 0.048 0.000 2.334 117 L HA 0.457 5.048 4.340 0.103 -0.189 0.273 117 L C 0.316 177.236 176.870 0.083 0.000 1.013 117 L CA -1.174 53.722 54.840 0.093 0.000 0.816 117 L CB 2.250 44.387 42.059 0.131 0.000 1.278 117 L HN 0.297 8.556 8.230 0.048 0.000 0.431 118 R N 0.625 121.184 120.500 0.098 0.000 2.540 118 R HA 0.150 4.534 4.340 0.073 0.000 0.287 118 R C -0.113 176.254 176.300 0.112 0.000 0.980 118 R CA -0.830 55.324 56.100 0.089 0.000 0.966 118 R CB 1.378 31.726 30.300 0.080 0.000 1.106 118 R HN -0.253 8.178 8.270 0.121 -0.088 0.480 119 N N -0.772 117.992 118.700 0.106 0.000 2.735 119 N HA -0.365 4.444 4.740 0.115 0.000 0.248 119 N C -0.941 174.680 175.510 0.185 0.000 1.083 119 N CA 0.907 54.036 53.050 0.132 0.000 0.703 119 N CB -0.467 38.100 38.487 0.133 0.000 1.005 119 N HN 0.715 9.147 8.380 0.088 0.000 0.550 120 A N -5.361 117.552 122.820 0.154 0.000 2.208 120 A HA -0.076 4.329 4.320 0.142 0.000 0.209 120 A C -0.573 177.145 177.584 0.223 0.000 1.161 120 A CA 1.147 53.279 52.037 0.158 0.000 0.782 120 A CB 0.185 19.244 19.000 0.098 0.000 0.816 120 A HN 0.203 8.415 8.150 0.123 0.012 0.477 121 T N -2.818 111.849 114.554 0.187 0.000 3.400 121 T HA 0.427 5.113 4.350 0.189 -0.223 0.364 121 T C -0.597 174.191 174.700 0.147 0.000 1.636 121 T CA -2.079 60.123 62.100 0.169 0.000 1.211 121 T CB -1.016 67.929 68.868 0.129 0.000 1.180 121 T HN -0.562 7.712 8.240 0.158 0.061 0.730 122 A N 4.260 127.178 122.820 0.164 0.000 2.302 122 A HA 0.258 4.603 4.320 0.042 0.000 0.285 122 A C -1.767 175.824 177.584 0.011 0.000 1.105 122 A CA -1.199 50.864 52.037 0.044 0.000 0.816 122 A CB 2.077 21.015 19.000 -0.102 0.000 1.067 122 A HN -0.532 7.772 8.150 0.257 0.000 0.489 123 A N 1.761 124.572 122.820 -0.016 0.000 2.269 123 A HA 0.401 4.920 4.320 0.021 -0.187 0.302 123 A C -0.076 177.481 177.584 -0.045 0.000 1.266 123 A CA -1.394 50.638 52.037 -0.008 0.000 0.894 123 A CB 0.465 19.464 19.000 -0.001 0.000 1.147 123 A HN 0.224 8.359 8.150 -0.026 0.000 0.537 124 M N 5.772 125.354 119.600 -0.030 0.000 2.284 124 M HA -0.243 4.172 4.480 -0.108 0.000 0.351 124 M C 0.219 176.488 176.300 -0.052 0.000 1.443 124 M CA 0.617 55.883 55.300 -0.058 0.000 1.031 124 M CB 0.486 33.076 32.600 -0.017 0.000 1.893 124 M HN 0.550 8.842 8.290 0.004 0.000 0.456 125 K N 7.271 127.625 120.400 -0.076 0.000 2.005 125 K HA -0.231 4.063 4.320 -0.044 0.000 0.206 125 K C 0.546 177.118 176.600 -0.047 0.000 1.044 125 K CA 2.784 59.035 56.287 -0.059 0.000 0.942 125 K CB 0.309 32.766 32.500 -0.072 0.000 0.727 125 K HN 0.169 8.355 8.250 -0.107 0.000 0.439 126 N N -3.722 114.942 118.700 -0.060 0.000 2.241 126 N HA 0.125 5.028 4.740 -0.033 -0.182 0.124 126 N C -0.675 174.800 175.510 -0.059 0.000 1.667 126 N CA -0.503 52.517 53.050 -0.049 0.000 1.183 126 N CB 0.363 38.818 38.487 -0.052 0.000 1.254 126 N HN -0.810 7.522 8.380 -0.080 0.000 0.290 127 Q N -1.673 118.082 119.800 -0.074 0.000 2.320 127 Q HA 0.022 4.312 4.340 -0.083 0.000 0.201 127 Q C -0.906 174.993 176.000 -0.168 0.000 0.910 127 Q CA 0.667 56.409 55.803 -0.102 0.000 0.946 127 Q CB 0.511 29.195 28.738 -0.090 0.000 1.062 127 Q HN 0.149 8.376 8.270 -0.071 0.000 0.503 128 V N -1.751 118.069 119.914 -0.156 0.000 2.876 128 V HA 0.988 5.219 4.120 -0.244 -0.258 0.312 128 V C -2.036 173.930 176.094 -0.214 0.000 1.085 128 V CA -2.794 59.387 62.300 -0.199 0.000 0.945 128 V CB 4.027 35.748 31.823 -0.170 0.000 1.017 128 V HN 0.094 8.542 8.190 -0.124 -0.333 0.428 129 A N 3.339 125.983 122.820 -0.293 0.000 2.437 129 A HA 0.571 4.712 4.320 -0.298 0.000 0.292 129 A C -2.123 175.096 177.584 -0.609 0.000 1.173 129 A CA -1.876 49.930 52.037 -0.385 0.000 0.785 129 A CB 3.182 21.959 19.000 -0.372 0.000 1.351 129 A HN -0.140 7.822 8.150 -0.313 0.000 0.431 130 R N -1.462 118.562 120.500 -0.792 0.000 2.692 130 R HA 0.443 4.219 4.340 -1.194 -0.152 0.269 130 R C -1.752 173.937 176.300 -1.019 0.000 1.030 130 R CA -0.312 55.229 56.100 -0.932 0.000 0.882 130 R CB 3.522 33.563 30.300 -0.431 0.000 1.250 130 R HN 0.053 7.924 8.270 -0.666 0.000 0.465 131 F N 1.590 121.428 119.950 -0.187 0.000 2.467 131 F HA 0.343 4.832 4.527 -0.064 0.000 0.336 131 F C -0.630 175.149 175.800 -0.036 0.000 1.123 131 F CA -1.148 56.798 58.000 -0.091 0.000 0.964 131 F CB 0.823 39.776 39.000 -0.077 0.000 1.136 131 F HN 0.061 8.053 8.300 -0.513 0.000 0.447 132 N N 3.413 122.189 118.700 0.128 0.000 2.358 132 N HA -0.036 4.745 4.740 0.068 0.000 0.209 132 N C 0.220 175.799 175.510 0.115 0.000 1.033 132 N CA 1.044 54.146 53.050 0.087 0.000 1.021 132 N CB 0.107 38.622 38.487 0.047 0.000 1.244 132 N HN 0.191 8.643 8.380 0.121 0.000 0.523 133 D N 0.723 121.187 120.400 0.108 0.000 2.368 133 D HA -0.094 4.605 4.640 0.098 0.000 0.250 133 D C -1.040 175.344 176.300 0.140 0.000 1.142 133 D CA 0.004 54.068 54.000 0.107 0.000 0.925 133 D CB -0.779 40.073 40.800 0.086 0.000 0.896 133 D HN -0.017 8.410 8.370 0.094 0.000 0.525 134 L N -0.941 120.389 121.223 0.177 0.000 2.841 134 L HA -0.231 4.471 4.340 0.188 -0.249 0.282 134 L C -0.555 176.447 176.870 0.219 0.000 1.130 134 L CA 0.634 55.596 54.840 0.204 0.000 0.996 134 L CB -0.000 42.201 42.059 0.237 0.000 1.364 134 L HN -0.599 7.585 8.230 0.186 0.158 0.466 135 R N 7.099 127.717 120.500 0.196 0.000 2.349 135 R HA 0.136 4.605 4.340 0.216 0.000 0.299 135 R C -1.739 174.726 176.300 0.276 0.000 1.027 135 R CA -1.238 54.983 56.100 0.201 0.000 0.958 135 R CB 1.671 32.044 30.300 0.123 0.000 1.047 135 R HN -0.574 7.877 8.270 0.167 -0.081 0.468 136 F N 7.227 127.226 119.950 0.082 0.000 2.359 136 F HA 0.218 4.745 4.527 0.000 0.000 0.370 136 F C -1.273 174.467 175.800 -0.100 0.000 1.077 136 F CA -1.629 56.358 58.000 -0.022 0.000 1.136 136 F CB 0.787 39.743 39.000 -0.072 0.000 1.387 136 F HN 0.340 8.850 8.300 0.350 0.000 0.468 137 V N 8.628 128.374 119.914 -0.281 0.000 2.384 137 V HA 0.346 4.248 4.120 -0.364 0.000 0.257 137 V C -1.867 174.069 176.094 -0.263 0.000 0.969 137 V CA -1.472 60.657 62.300 -0.285 0.000 0.910 137 V CB 2.052 33.806 31.823 -0.116 0.000 1.150 137 V HN -0.369 7.729 8.190 -0.152 0.000 0.481 138 G N 2.404 110.936 108.800 -0.445 0.000 2.461 138 G HA2 0.269 4.255 3.960 0.044 0.000 0.329 138 G HA3 0.269 4.169 3.960 -0.100 0.000 0.329 138 G C -0.976 173.876 174.900 -0.080 0.000 1.170 138 G CA -1.577 43.441 45.100 -0.136 0.000 0.935 138 G HN -0.396 7.379 8.290 -0.858 0.000 0.492 139 R N 1.110 121.641 120.500 0.051 0.000 2.694 139 R HA -0.048 4.279 4.340 -0.021 0.000 0.268 139 R C 0.251 176.513 176.300 -0.064 0.000 1.061 139 R CA 1.116 57.208 56.100 -0.014 0.000 1.133 139 R CB 0.550 30.812 30.300 -0.062 0.000 1.020 139 R HN 0.191 8.524 8.270 0.104 0.000 0.475 140 S N 0.736 116.372 115.700 -0.107 0.000 2.602 140 S HA 0.080 4.400 4.470 -0.250 0.000 0.240 140 S C -0.552 173.992 174.600 -0.093 0.000 0.992 140 S CA -0.100 58.006 58.200 -0.156 0.000 0.971 140 S CB 0.891 63.998 63.200 -0.154 0.000 0.855 140 S HN 0.320 8.581 8.310 -0.082 0.000 0.481 141 G N 1.522 110.290 108.800 -0.054 0.000 2.209 141 G HA2 -0.172 3.767 3.960 -0.035 0.000 0.271 141 G HA3 -0.172 3.772 3.960 -0.027 0.000 0.271 141 G C 0.361 175.246 174.900 -0.025 0.000 1.111 141 G CA 0.100 45.180 45.100 -0.034 0.000 1.092 141 G HN -0.077 8.121 8.290 -0.046 0.064 0.416 142 R N 6.050 126.533 120.500 -0.028 0.000 2.096 142 R HA -0.346 3.978 4.340 -0.027 0.000 0.235 142 R C 1.654 177.954 176.300 0.001 0.000 1.127 142 R CA 2.246 58.335 56.100 -0.018 0.000 0.968 142 R CB -0.026 30.265 30.300 -0.016 0.000 0.861 142 R HN -0.010 8.242 8.270 -0.030 0.000 0.440 143 G N -3.548 105.251 108.800 -0.001 0.000 2.776 143 G HA2 -0.060 3.905 3.960 0.008 0.000 0.209 143 G HA3 -0.060 3.900 3.960 0.000 0.000 0.209 143 G C -0.505 174.401 174.900 0.011 0.000 1.145 143 G CA -0.379 44.724 45.100 0.005 0.000 0.791 143 G HN -0.005 8.281 8.290 -0.007 0.000 0.530 144 K N 0.537 120.947 120.400 0.017 0.000 2.098 144 K HA 0.150 4.477 4.320 0.013 0.000 0.258 144 K C -1.205 175.436 176.600 0.068 0.000 0.973 144 K CA -1.097 55.207 56.287 0.027 0.000 0.898 144 K CB 1.592 34.103 32.500 0.019 0.000 1.057 144 K HN -0.477 7.558 8.250 0.013 0.223 0.447 145 S N 1.238 116.977 115.700 0.066 0.000 2.499 145 S HA -0.002 4.539 4.470 0.118 0.000 0.275 145 S C -1.248 173.452 174.600 0.166 0.000 1.257 145 S CA 0.091 58.353 58.200 0.103 0.000 1.050 145 S CB 0.546 63.783 63.200 0.061 0.000 0.937 145 S HN 0.173 8.504 8.310 0.035 0.000 0.490 146 F N 7.796 127.767 119.950 0.036 0.000 2.420 146 F HA 0.284 4.985 4.527 0.017 -0.164 0.352 146 F C -1.033 174.823 175.800 0.094 0.000 1.108 146 F CA -0.813 57.218 58.000 0.053 0.000 1.162 146 F CB 2.018 41.067 39.000 0.082 0.000 1.118 146 F HN -0.282 8.210 8.300 0.320 0.000 0.510 147 T N 9.328 123.650 114.554 -0.386 0.000 2.792 147 T HA 0.287 4.621 4.350 -0.026 0.000 0.280 147 T C -1.450 173.063 174.700 -0.312 0.000 0.990 147 T CA -0.312 61.662 62.100 -0.210 0.000 0.960 147 T CB 1.629 70.416 68.868 -0.135 0.000 0.939 147 T HN 0.039 7.927 8.240 -0.587 0.000 0.439 148 L N 7.870 129.048 121.223 -0.076 0.000 2.341 148 L HA 0.705 5.206 4.340 -0.099 -0.220 0.278 148 L C -1.030 175.873 176.870 0.056 0.000 1.005 148 L CA -0.991 53.841 54.840 -0.013 0.000 0.818 148 L CB 3.554 45.687 42.059 0.123 0.000 1.259 148 L HN 0.808 9.071 8.230 0.055 0.000 0.418 149 T N 0.643 115.224 114.554 0.045 0.000 2.928 149 T HA 0.420 4.915 4.350 0.076 -0.100 0.296 149 T C -1.133 173.614 174.700 0.079 0.000 1.000 149 T CA -0.846 61.290 62.100 0.060 0.000 0.989 149 T CB 1.977 70.865 68.868 0.033 0.000 1.005 149 T HN 0.092 8.348 8.240 0.027 0.000 0.442 150 I N 7.065 127.688 120.570 0.088 0.000 2.433 150 I HA 0.885 5.352 4.170 0.110 -0.231 0.292 150 I C -1.230 174.874 176.117 -0.023 0.000 1.001 150 I CA -1.525 59.834 61.300 0.099 0.000 1.119 150 I CB 3.093 41.219 38.000 0.211 0.000 1.289 150 I HN 1.210 9.358 8.210 0.085 0.113 0.438 151 T N 5.036 119.528 114.554 -0.104 0.000 2.886 151 T HA 0.618 4.881 4.350 -0.378 -0.140 0.292 151 T C -1.124 173.160 174.700 -0.692 0.000 1.012 151 T CA -1.816 60.062 62.100 -0.370 0.000 0.982 151 T CB 2.677 71.387 68.868 -0.264 0.000 1.018 151 T HN 0.133 8.352 8.240 -0.035 0.000 0.451 152 V N 3.172 122.578 119.914 -0.847 0.000 2.531 152 V HA 0.505 4.330 4.120 -0.740 -0.149 0.301 152 V C -1.514 174.083 176.094 -0.828 0.000 1.034 152 V CA -1.326 60.524 62.300 -0.749 0.000 0.865 152 V CB 2.642 34.294 31.823 -0.285 0.000 0.995 152 V HN -0.184 7.551 8.190 -0.758 0.000 0.424 153 F N 7.616 127.565 119.950 -0.001 0.000 2.578 153 F HA 0.330 4.844 4.527 -0.021 0.000 0.314 153 F C -0.655 175.152 175.800 0.011 0.000 1.225 153 F CA -1.425 56.573 58.000 -0.004 0.000 1.215 153 F CB -1.619 37.382 39.000 0.002 0.000 1.448 153 F HN 0.473 8.472 8.300 -0.502 0.000 0.548 154 T N 1.988 116.589 114.554 0.078 0.000 2.813 154 T HA 0.003 4.411 4.350 0.096 0.000 0.188 154 T C 0.407 175.149 174.700 0.069 0.000 0.698 154 T CA -0.304 61.843 62.100 0.079 0.000 2.089 154 T CB 1.004 69.910 68.868 0.064 0.000 2.834 154 T HN -0.481 7.710 8.240 -0.003 0.047 0.370 155 N N 0.094 118.826 118.700 0.052 0.000 2.349 155 N HA 0.245 5.012 4.740 0.046 0.000 0.180 155 N C -1.644 173.888 175.510 0.036 0.000 1.024 155 N CA 1.195 54.271 53.050 0.043 0.000 0.869 155 N CB -0.595 37.915 38.487 0.037 0.000 1.022 155 N HN 0.251 8.663 8.380 0.052 0.000 0.433 156 P HA 0.493 4.923 4.420 0.015 0.000 0.201 156 P C -2.639 174.646 177.300 -0.024 0.000 1.882 156 P CA -2.883 60.226 63.100 0.014 0.000 1.129 156 P CB -0.786 30.930 31.700 0.027 0.000 1.794 157 P HA -0.153 4.405 4.420 -0.149 -0.227 0.248 157 P C -0.477 176.708 177.300 -0.192 0.000 1.127 157 P CA 0.346 63.385 63.100 -0.101 0.000 0.801 157 P CB -0.091 31.604 31.700 -0.008 0.000 0.732 158 Q N 3.960 123.527 119.800 -0.389 0.000 2.241 158 Q HA 0.164 4.328 4.340 -0.293 0.000 0.254 158 Q C -0.912 174.746 176.000 -0.570 0.000 0.917 158 Q CA -1.350 54.132 55.803 -0.534 0.000 0.919 158 Q CB 1.939 30.061 28.738 -1.027 0.000 1.237 158 Q HN -0.144 7.850 8.270 -0.460 0.000 0.434 159 V N 3.331 123.051 119.914 -0.323 0.000 2.398 159 V HA 0.240 4.214 4.120 -0.243 0.000 0.286 159 V C -1.356 174.665 176.094 -0.121 0.000 1.026 159 V CA -1.105 61.071 62.300 -0.207 0.000 0.868 159 V CB 1.040 32.805 31.823 -0.096 0.000 0.982 159 V HN 0.077 8.132 8.190 -0.225 0.000 0.443 160 A N 8.741 131.525 122.820 -0.060 0.000 2.385 160 A HA 0.533 4.910 4.320 0.096 0.000 0.290 160 A C -2.146 175.505 177.584 0.111 0.000 1.094 160 A CA -0.542 51.545 52.037 0.083 0.000 0.729 160 A CB 2.375 21.506 19.000 0.219 0.000 1.194 160 A HN 0.921 9.018 8.150 -0.088 0.000 0.442 161 T N 1.527 116.158 114.554 0.128 0.000 2.896 161 T HA 0.407 4.943 4.350 0.150 -0.095 0.297 161 T C -2.299 172.539 174.700 0.230 0.000 1.108 161 T CA -1.662 60.529 62.100 0.151 0.000 1.004 161 T CB 2.863 71.791 68.868 0.101 0.000 1.159 161 T HN -0.067 8.248 8.240 0.125 0.000 0.499 162 Y N 2.259 122.611 120.300 0.087 0.000 2.396 162 Y HA 0.283 4.870 4.550 0.062 0.000 0.332 162 Y C -2.626 173.335 175.900 0.101 0.000 1.034 162 Y CA -0.512 57.629 58.100 0.068 0.000 1.057 162 Y CB 3.164 41.638 38.460 0.023 0.000 1.220 162 Y HN 0.504 8.824 8.280 0.258 0.115 0.440 163 H N 5.045 123.840 119.070 -0.459 0.000 2.823 163 H HA 0.877 5.568 4.556 -0.076 -0.181 0.332 163 H C -1.798 173.316 175.328 -0.357 0.000 0.980 163 H CA -1.414 54.481 56.048 -0.254 0.000 1.286 163 H CB 1.403 31.083 29.762 -0.138 0.000 1.541 163 H HN 0.241 8.004 8.280 -0.861 0.000 0.521 164 R N 3.358 123.747 120.500 -0.185 0.000 2.756 164 R HA 0.123 4.380 4.340 -0.139 0.000 0.273 164 R C -1.942 174.435 176.300 0.129 0.000 1.030 164 R CA -0.448 55.578 56.100 -0.124 0.000 0.887 164 R CB 2.940 33.083 30.300 -0.262 0.000 1.274 164 R HN -0.010 8.316 8.270 0.094 0.000 0.461 165 A N -0.392 122.485 122.820 0.096 0.000 2.366 165 A HA 0.102 4.496 4.320 0.124 0.000 0.250 165 A C -0.447 177.201 177.584 0.107 0.000 1.099 165 A CA -0.008 52.091 52.037 0.104 0.000 0.794 165 A CB 0.790 19.825 19.000 0.057 0.000 1.056 165 A HN 0.035 8.213 8.150 0.047 0.000 0.499 166 I N -5.655 114.921 120.570 0.009 0.000 2.460 166 I HA 0.170 4.330 4.170 -0.016 0.000 0.298 166 I C -0.779 175.324 176.117 -0.023 0.000 0.989 166 I CA -0.839 60.409 61.300 -0.087 0.000 1.173 166 I CB 0.929 38.686 38.000 -0.406 0.000 1.338 166 I HN 0.031 8.238 8.210 -0.005 0.000 0.456 167 K N 4.505 124.927 120.400 0.037 0.000 3.109 167 K HA 0.199 4.541 4.320 0.037 0.000 0.214 167 K C -1.202 175.450 176.600 0.087 0.000 1.196 167 K CA -1.164 55.163 56.287 0.065 0.000 1.115 167 K CB 0.376 32.939 32.500 0.105 0.000 1.103 167 K HN 0.531 8.820 8.250 0.066 0.000 0.467 168 I N 0.076 120.673 120.570 0.045 0.000 2.404 168 I HA 0.182 4.434 4.170 0.137 0.000 0.293 168 I C -1.439 174.691 176.117 0.021 0.000 0.992 168 I CA -0.527 60.817 61.300 0.074 0.000 1.149 168 I CB 1.493 39.524 38.000 0.052 0.000 1.315 168 I HN -0.368 7.772 8.210 -0.017 0.060 0.446 169 T N 7.222 121.800 114.554 0.039 0.000 2.864 169 T HA 0.192 4.541 4.350 -0.001 0.000 0.299 169 T C -0.637 174.079 174.700 0.027 0.000 1.166 169 T CA -1.604 60.506 62.100 0.017 0.000 1.007 169 T CB 2.045 70.922 68.868 0.015 0.000 1.219 169 T HN 0.011 8.291 8.240 0.067 0.000 0.506 170 V N 4.041 123.965 119.914 0.015 0.000 2.557 170 V HA -0.076 4.060 4.120 0.027 0.000 0.301 170 V C 0.718 176.827 176.094 0.025 0.000 1.026 170 V CA 0.996 63.308 62.300 0.021 0.000 1.137 170 V CB 0.209 32.039 31.823 0.011 0.000 0.917 170 V HN 0.135 8.328 8.190 0.006 0.000 0.484 171 D N 8.036 128.456 120.400 0.032 0.000 2.107 171 D HA -0.025 4.630 4.640 0.024 0.000 0.204 171 D C 0.190 176.502 176.300 0.020 0.000 0.978 171 D CA 1.786 55.803 54.000 0.028 0.000 0.852 171 D CB 0.753 41.574 40.800 0.035 0.000 1.008 171 D HN 0.438 8.832 8.370 0.040 0.000 0.458 172 G N -1.662 107.150 108.800 0.020 0.000 4.713 172 G HA2 0.089 4.057 3.960 0.013 0.000 0.227 172 G HA3 0.089 4.057 3.960 0.013 0.000 0.227 172 G C -1.999 172.911 174.900 0.016 0.000 2.776 172 G CA -0.441 44.668 45.100 0.015 0.000 0.692 172 G HN 0.054 8.359 8.290 0.025 0.000 0.221 173 P HA 0.136 4.568 4.420 0.020 0.000 0.300 173 P C -0.776 176.533 177.300 0.014 0.000 1.294 173 P CA -0.850 62.261 63.100 0.018 0.000 0.757 173 P CB 1.200 32.912 31.700 0.019 0.000 1.377 174 R N -1.875 118.632 120.500 0.013 0.000 2.280 174 R HA -0.032 4.314 4.340 0.010 0.000 0.195 174 R C 1.569 177.874 176.300 0.009 0.000 0.935 174 R CA 1.703 57.809 56.100 0.010 0.000 1.033 174 R CB 0.353 30.659 30.300 0.010 0.000 0.964 174 R HN 0.142 8.420 8.270 0.014 0.000 0.489 175 E N -0.172 120.034 120.200 0.009 0.000 2.150 175 E HA -0.033 4.321 4.350 0.007 0.000 0.193 175 E C -0.566 176.038 176.600 0.006 0.000 0.985 175 E CA 3.319 59.724 56.400 0.007 0.000 0.814 175 E CB -2.193 27.511 29.700 0.007 0.000 0.752 175 E HN 0.388 8.710 8.360 0.010 0.044 0.466 176 P HA -0.159 4.264 4.420 0.005 0.000 0.231 176 P C -0.141 177.162 177.300 0.005 0.000 1.154 176 P CA 1.071 64.175 63.100 0.005 0.000 0.762 176 P CB -0.906 30.798 31.700 0.006 0.000 0.790 177 R N -3.558 116.945 120.500 0.005 0.000 2.148 177 R HA -0.221 4.122 4.340 0.004 0.000 0.227 177 R C 0.661 176.963 176.300 0.004 0.000 1.103 177 R CA 1.011 57.114 56.100 0.004 0.000 0.983 177 R CB 0.193 30.496 30.300 0.005 0.000 0.874 177 R HN -0.506 7.627 8.270 0.005 0.140 0.451 178 R N 0.000 120.502 120.500 0.003 0.000 2.786 178 R HA 0.000 4.342 4.340 0.003 0.000 0.208 178 R CA 0.000 56.102 56.100 0.003 0.000 0.921 178 R CB 0.000 30.302 30.300 0.002 0.000 0.687 178 R HN 0.000 8.249 8.270 0.004 0.024 0.535