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 2k2o_1_A DATA FIRST_RESID 918 DATA SEQUENCE IDPFTADAGH TEFTDEVYQN ESRYPGGDWK PAEDTYTDAN GDKAASPSEL DATA SEQUENCE TCPPGWEWED DAWSYDINRA VDEKGWEYGI TIPPDHKPKS WVAAEKMYHT DATA SEQUENCE HRRRRLVRKR KKDLTQTASS TAR 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 918 I HA 0.000 4.185 4.170 0.025 0.000 0.288 918 I C 0.000 176.127 176.117 0.016 0.000 1.063 918 I CA 0.000 61.305 61.300 0.009 0.000 1.566 918 I CB 0.000 37.997 38.000 -0.005 0.000 1.214 919 D N 6.080 126.502 120.400 0.037 0.000 2.645 919 D HA 0.516 5.163 4.640 0.013 0.000 0.228 919 D C -1.776 174.502 176.300 -0.036 0.000 1.148 919 D CA -2.047 51.981 54.000 0.046 0.000 0.860 919 D CB 1.391 42.303 40.800 0.187 0.000 1.548 919 D HN 0.362 9.130 8.370 0.053 -0.366 0.460 920 P HA 0.200 4.501 4.420 -0.199 0.000 0.253 920 P C -1.677 175.322 177.300 -0.502 0.000 1.459 920 P CA 0.164 63.040 63.100 -0.373 0.000 0.908 920 P CB 0.051 31.466 31.700 -0.475 0.000 1.470 921 F N -0.826 119.133 119.950 0.015 0.000 2.553 921 F HA 0.238 4.771 4.527 0.010 0.000 0.282 921 F C 0.925 176.737 175.800 0.021 0.000 1.089 921 F CA 1.010 59.019 58.000 0.014 0.000 1.411 921 F CB 1.061 40.068 39.000 0.011 0.000 1.125 921 F HN 0.147 8.666 8.300 0.041 -0.195 0.610 922 T N -0.392 114.284 114.554 0.203 0.000 2.940 922 T HA 0.213 4.629 4.350 0.111 0.000 0.288 922 T C -1.258 173.503 174.700 0.101 0.000 1.033 922 T CA -1.921 60.263 62.100 0.140 0.000 1.033 922 T CB 1.487 70.456 68.868 0.169 0.000 1.079 922 T HN -0.185 8.531 8.240 0.226 -0.340 0.496 923 A N 5.451 128.308 122.820 0.062 0.000 2.506 923 A HA 0.099 4.442 4.320 0.039 0.000 0.320 923 A C -0.633 176.987 177.584 0.060 0.000 1.424 923 A CA -0.724 51.335 52.037 0.038 0.000 1.044 923 A CB 0.168 19.169 19.000 0.001 0.000 1.140 923 A HN 0.398 8.573 8.150 0.042 0.000 0.538 924 D N 6.057 126.545 120.400 0.145 0.000 2.441 924 D HA 0.058 5.030 4.640 0.554 0.000 0.243 924 D C -0.506 175.915 176.300 0.201 0.000 1.257 924 D CA 1.383 55.559 54.000 0.294 0.000 1.027 924 D CB -1.403 39.531 40.800 0.222 0.000 1.084 924 D HN 0.124 8.560 8.370 0.111 0.000 0.514 925 A N 1.793 124.665 122.820 0.087 0.000 1.657 925 A HA 0.161 4.555 4.320 0.122 0.000 0.202 925 A C -0.660 176.900 177.584 -0.041 0.000 1.712 925 A CA 0.576 52.645 52.037 0.052 0.000 1.203 925 A CB 1.701 20.708 19.000 0.011 0.000 1.093 925 A HN -0.050 8.003 8.150 -0.104 0.034 0.507 926 G N -1.042 107.629 108.800 -0.215 0.000 2.563 926 G HA2 -0.109 3.772 3.960 -0.130 0.000 0.295 926 G HA3 -0.109 3.698 3.960 -0.255 0.000 0.295 926 G C -0.553 174.057 174.900 -0.483 0.000 0.874 926 G CA 1.317 46.260 45.100 -0.262 0.000 1.642 926 G HN 0.232 8.400 8.290 -0.204 0.000 0.483 927 H N 1.267 120.327 119.070 -0.018 0.000 1.809 927 H HA -0.013 4.565 4.556 -0.062 -0.059 0.118 927 H C -0.731 174.569 175.328 -0.047 0.000 1.043 927 H CA 0.809 56.837 56.048 -0.034 0.000 0.473 927 H CB 1.841 31.604 29.762 0.002 0.000 0.351 927 H HN -0.411 7.850 8.280 -0.032 0.000 0.227 928 T N 2.120 116.778 114.554 0.173 0.000 2.626 928 T HA -0.420 4.069 4.350 0.231 0.000 0.494 928 T C -2.439 172.470 174.700 0.349 0.000 0.803 928 T CA 1.856 64.083 62.100 0.211 0.000 2.618 928 T CB -1.027 67.906 68.868 0.109 0.000 1.693 928 T HN 0.098 8.443 8.240 0.175 0.000 0.539 929 E N 2.346 122.757 120.200 0.351 0.000 2.224 929 E HA 0.200 4.953 4.350 0.587 -0.050 0.265 929 E C -2.474 174.324 176.600 0.329 0.000 0.878 929 E CA -1.721 54.899 56.400 0.367 0.000 0.759 929 E CB 3.324 33.131 29.700 0.178 0.000 1.164 929 E HN -0.126 8.408 8.360 0.289 0.000 0.414 930 F N 3.951 123.956 119.950 0.091 0.000 2.520 930 F HA 0.312 4.855 4.527 0.028 0.000 0.322 930 F C -1.347 174.440 175.800 -0.021 0.000 1.103 930 F CA -1.462 56.535 58.000 -0.005 0.000 0.926 930 F CB 3.603 42.539 39.000 -0.105 0.000 1.154 930 F HN -0.308 8.197 8.300 0.343 0.000 0.453 931 T N 9.206 123.432 114.554 -0.547 0.000 2.817 931 T HA -0.126 4.112 4.350 -0.187 0.000 0.295 931 T C -1.488 172.986 174.700 -0.378 0.000 0.958 931 T CA 1.152 63.017 62.100 -0.392 0.000 1.157 931 T CB 0.241 68.894 68.868 -0.359 0.000 0.898 931 T HN 0.211 8.049 8.240 -0.670 0.000 0.536 932 D N 6.422 126.808 120.400 -0.023 0.000 2.225 932 D HA 0.182 4.973 4.640 0.251 0.000 0.249 932 D C -1.645 174.834 176.300 0.299 0.000 1.052 932 D CA -0.835 53.306 54.000 0.235 0.000 0.909 932 D CB 2.430 43.525 40.800 0.492 0.000 1.186 932 D HN -0.153 8.085 8.370 -0.028 0.115 0.431 933 E N -0.835 119.589 120.200 0.373 0.000 2.412 933 E HA 0.980 5.781 4.350 0.382 -0.222 0.279 933 E C -2.264 174.422 176.600 0.144 0.000 0.984 933 E CA -2.065 54.492 56.400 0.263 0.000 0.788 933 E CB 4.077 33.803 29.700 0.043 0.000 1.277 933 E HN -0.015 8.559 8.360 0.355 0.000 0.455 934 V N -0.698 119.215 119.914 -0.001 0.000 2.823 934 V HA 0.181 4.374 4.120 0.122 0.000 0.296 934 V C -2.640 173.439 176.094 -0.026 0.000 1.250 934 V CA -0.725 61.572 62.300 -0.004 0.000 0.939 934 V CB 3.382 35.124 31.823 -0.135 0.000 1.062 934 V HN 0.207 8.381 8.190 -0.026 0.000 0.433 935 Y N 7.863 128.149 120.300 -0.023 0.000 2.452 935 Y HA 0.429 5.133 4.550 -0.108 -0.219 0.348 935 Y C -0.537 175.314 175.900 -0.082 0.000 0.985 935 Y CA -1.371 56.681 58.100 -0.079 0.000 1.214 935 Y CB 0.086 38.468 38.460 -0.130 0.000 1.136 935 Y HN 0.514 9.030 8.280 0.394 0.000 0.523 936 Q N 4.391 124.162 119.800 -0.049 0.000 2.259 936 Q HA 0.625 4.903 4.340 -0.435 -0.200 0.249 936 Q C -0.726 175.228 176.000 -0.077 0.000 0.914 936 Q CA -1.552 54.102 55.803 -0.248 0.000 0.904 936 Q CB 1.771 30.310 28.738 -0.332 0.000 1.213 936 Q HN 0.164 8.367 8.270 -0.111 0.000 0.428 937 N N -0.318 118.316 118.700 -0.108 0.000 2.525 937 N HA 0.646 5.618 4.740 0.206 -0.109 0.270 937 N C -1.221 174.203 175.510 -0.143 0.000 1.321 937 N CA -1.040 51.999 53.050 -0.018 0.000 0.797 937 N CB 4.362 42.818 38.487 -0.052 0.000 1.529 937 N HN 0.284 8.500 8.380 -0.273 0.000 0.491 938 E N -3.127 116.940 120.200 -0.220 0.000 2.392 938 E HA 0.629 5.080 4.350 -0.111 -0.168 0.269 938 E C -2.109 174.519 176.600 0.046 0.000 0.924 938 E CA -1.160 55.148 56.400 -0.154 0.000 0.784 938 E CB 4.892 34.409 29.700 -0.305 0.000 1.292 938 E HN -0.218 7.989 8.360 -0.255 0.000 0.447 939 S N -0.792 115.041 115.700 0.222 0.000 2.549 939 S HA 0.868 5.797 4.470 0.510 -0.153 0.280 939 S C -1.937 172.718 174.600 0.091 0.000 1.109 939 S CA -1.818 56.540 58.200 0.264 0.000 0.905 939 S CB 2.659 65.925 63.200 0.110 0.000 1.081 939 S HN 0.494 8.890 8.310 0.144 0.000 0.477 940 R N 2.725 123.095 120.500 -0.215 0.000 2.734 940 R HA 0.481 4.515 4.340 -0.510 0.000 0.271 940 R C -1.671 174.344 176.300 -0.475 0.000 1.021 940 R CA -1.106 54.673 56.100 -0.535 0.000 0.893 940 R CB 2.904 32.611 30.300 -0.987 0.000 1.244 940 R HN 0.331 8.420 8.270 -0.129 0.104 0.464 941 Y N -1.422 118.742 120.300 -0.227 0.000 2.457 941 Y HA 0.031 4.517 4.550 -0.106 0.000 0.341 941 Y C -1.316 174.462 175.900 -0.203 0.000 1.240 941 Y CA -1.078 56.926 58.100 -0.159 0.000 1.437 941 Y CB -0.573 37.813 38.460 -0.123 0.000 1.328 941 Y HN 0.457 8.420 8.280 -0.528 0.000 0.588 942 P HA -0.224 4.410 4.420 -0.014 -0.222 0.257 942 P C -0.582 176.689 177.300 -0.048 0.000 1.269 942 P CA 0.566 63.668 63.100 0.003 0.000 1.122 942 P CB -0.833 30.914 31.700 0.079 0.000 1.285 943 G N 2.198 110.925 108.800 -0.123 0.000 2.871 943 G HA2 -0.257 3.612 3.960 -0.151 0.000 0.262 943 G HA3 -0.257 3.632 3.960 -0.118 0.000 0.262 943 G C -1.476 173.347 174.900 -0.129 0.000 1.126 943 G CA -0.126 44.894 45.100 -0.135 0.000 1.130 943 G HN -0.176 8.000 8.290 -0.188 0.000 0.549 944 G N -1.150 107.527 108.800 -0.204 0.000 2.753 944 G HA2 -0.012 3.894 3.960 -0.089 0.000 0.303 944 G HA3 -0.012 3.939 3.960 -0.014 0.000 0.303 944 G C -2.963 171.785 174.900 -0.254 0.000 1.242 944 G CA -0.180 44.837 45.100 -0.138 0.000 0.810 944 G HN -0.286 7.809 8.290 -0.326 0.000 0.515 945 D N -0.401 119.910 120.400 -0.149 0.000 2.256 945 D HA 0.337 4.900 4.640 -0.128 0.000 0.240 945 D C -0.749 175.460 176.300 -0.152 0.000 1.062 945 D CA -1.346 52.581 54.000 -0.123 0.000 0.832 945 D CB 1.734 42.529 40.800 -0.009 0.000 1.135 945 D HN 0.005 8.373 8.370 -0.004 0.000 0.484 946 W N 1.923 123.165 121.300 -0.097 0.000 2.251 946 W HA 0.058 4.819 4.660 -0.138 -0.184 0.329 946 W C -0.048 176.401 176.519 -0.117 0.000 1.234 946 W CA -0.301 56.961 57.345 -0.137 0.000 1.228 946 W CB 0.910 30.245 29.460 -0.208 0.000 1.135 946 W HN 0.216 8.471 8.180 0.126 0.000 0.576 947 K N 0.281 120.762 120.400 0.135 0.000 2.378 947 K HA 0.524 4.871 4.320 0.046 0.000 0.244 947 K C -2.414 174.203 176.600 0.029 0.000 1.039 947 K CA -3.129 53.187 56.287 0.049 0.000 0.863 947 K CB 1.687 34.189 32.500 0.003 0.000 1.326 947 K HN 0.576 8.921 8.250 0.159 0.000 0.460 948 P HA -0.144 4.237 4.420 -0.064 0.000 0.265 948 P C -0.900 176.374 177.300 -0.043 0.000 1.193 948 P CA 0.030 63.107 63.100 -0.039 0.000 0.765 948 P CB 0.103 31.784 31.700 -0.032 0.000 0.823 949 A N 5.327 128.096 122.820 -0.084 0.000 2.433 949 A HA -0.172 4.102 4.320 -0.075 0.000 0.250 949 A C 1.357 178.925 177.584 -0.028 0.000 1.113 949 A CA 0.318 52.299 52.037 -0.093 0.000 0.794 949 A CB 1.003 19.881 19.000 -0.203 0.000 1.067 949 A HN -0.349 7.731 8.150 -0.116 0.000 0.510 950 E N -1.531 118.681 120.200 0.020 0.000 2.106 950 E HA -0.233 4.135 4.350 0.029 0.000 0.192 950 E C -0.352 176.271 176.600 0.038 0.000 0.984 950 E CA 1.885 58.310 56.400 0.041 0.000 0.806 950 E CB -0.002 29.737 29.700 0.065 0.000 0.750 950 E HN 0.632 9.017 8.360 0.043 0.000 0.458 951 D N 0.548 120.972 120.400 0.040 0.000 2.454 951 D HA 0.344 5.008 4.640 0.040 0.000 0.247 951 D C -0.880 175.414 176.300 -0.011 0.000 1.129 951 D CA -0.623 53.400 54.000 0.037 0.000 0.877 951 D CB 1.231 42.071 40.800 0.066 0.000 1.082 951 D HN -0.208 8.195 8.370 0.055 0.000 0.537 952 T N 2.879 117.404 114.554 -0.049 0.000 2.701 952 T HA -0.185 4.043 4.350 -0.203 0.000 0.263 952 T C -0.604 173.882 174.700 -0.357 0.000 1.040 952 T CA 2.800 64.776 62.100 -0.207 0.000 1.147 952 T CB 0.676 69.409 68.868 -0.224 0.000 0.865 952 T HN 0.244 8.481 8.240 -0.005 0.000 0.426 953 Y N -1.485 118.805 120.300 -0.017 0.000 2.326 953 Y HA 0.387 5.063 4.550 -0.025 -0.141 0.337 953 Y C -0.196 175.704 175.900 -0.000 0.000 1.023 953 Y CA -0.693 57.390 58.100 -0.029 0.000 1.143 953 Y CB 0.683 39.095 38.460 -0.080 0.000 1.183 953 Y HN -0.417 7.929 8.280 0.110 0.000 0.485 954 T N -0.723 113.916 114.554 0.143 0.000 2.812 954 T HA 0.499 5.057 4.350 0.092 -0.153 0.294 954 T C -1.599 173.169 174.700 0.114 0.000 1.159 954 T CA -2.409 59.752 62.100 0.102 0.000 1.008 954 T CB 3.006 71.915 68.868 0.069 0.000 1.289 954 T HN 0.800 9.136 8.240 0.160 0.000 0.514 955 D N -0.347 120.081 120.400 0.046 0.000 2.388 955 D HA 0.142 4.852 4.640 0.116 0.000 0.254 955 D C 0.031 176.172 176.300 -0.265 0.000 1.111 955 D CA -1.915 52.085 54.000 -0.001 0.000 0.993 955 D CB 3.009 43.814 40.800 0.008 0.000 1.118 955 D HN -0.153 8.142 8.370 0.037 0.096 0.502 956 A N -0.370 122.099 122.820 -0.586 0.000 2.032 956 A HA -0.344 2.999 4.320 -1.629 0.000 0.221 956 A C 1.453 178.774 177.584 -0.438 0.000 1.165 956 A CA 2.935 54.382 52.037 -0.983 0.000 0.645 956 A CB 0.124 18.602 19.000 -0.871 0.000 0.807 956 A HN 0.644 8.554 8.150 -0.399 0.000 0.453 957 N N -4.059 114.535 118.700 -0.178 0.000 2.290 957 N HA -0.191 4.578 4.740 0.048 0.000 0.179 957 N C 1.216 176.756 175.510 0.049 0.000 1.016 957 N CA 1.432 54.476 53.050 -0.011 0.000 0.871 957 N CB 0.669 39.162 38.487 0.010 0.000 0.987 957 N HN -0.469 7.980 8.380 -0.169 -0.170 0.431 958 G N -3.295 105.517 108.800 0.021 0.000 2.672 958 G HA2 -0.200 3.813 3.960 0.088 0.000 0.197 958 G HA3 -0.200 3.817 3.960 0.094 0.000 0.197 958 G C -1.256 173.683 174.900 0.064 0.000 0.995 958 G CA -0.364 44.778 45.100 0.071 0.000 0.754 958 G HN -0.151 8.050 8.290 -0.022 0.076 0.505 959 D N 3.625 124.053 120.400 0.047 0.000 2.368 959 D HA -0.128 4.546 4.640 0.057 0.000 0.268 959 D C -0.332 176.002 176.300 0.056 0.000 1.298 959 D CA 0.652 54.682 54.000 0.050 0.000 0.938 959 D CB -0.238 40.586 40.800 0.041 0.000 1.101 959 D HN -0.224 8.490 8.370 0.034 -0.323 0.509 960 K N 4.509 124.947 120.400 0.063 0.000 2.504 960 K HA -0.337 4.242 4.320 0.082 -0.210 0.278 960 K C -0.855 175.783 176.600 0.064 0.000 1.025 960 K CA 0.802 57.132 56.287 0.071 0.000 1.093 960 K CB -0.095 32.444 32.500 0.066 0.000 0.873 960 K HN 0.063 8.352 8.250 0.065 0.000 0.483 961 A N 6.314 129.180 122.820 0.077 0.000 2.387 961 A HA 0.273 4.613 4.320 0.033 0.000 0.298 961 A C -2.230 175.364 177.584 0.016 0.000 1.165 961 A CA -1.229 50.836 52.037 0.046 0.000 0.814 961 A CB 2.093 21.122 19.000 0.047 0.000 1.357 961 A HN 0.345 8.418 8.150 0.109 0.142 0.443 962 A N -1.837 120.952 122.820 -0.052 0.000 2.386 962 A HA -0.058 4.203 4.320 -0.098 0.000 0.246 962 A C -0.348 177.035 177.584 -0.335 0.000 1.089 962 A CA 0.160 52.116 52.037 -0.135 0.000 0.790 962 A CB 0.701 19.632 19.000 -0.116 0.000 1.042 962 A HN 0.050 8.178 8.150 -0.038 0.000 0.497 963 S N 0.811 116.208 115.700 -0.505 0.000 2.616 963 S HA 0.370 3.872 4.470 -1.613 0.000 0.277 963 S C -0.508 173.579 174.600 -0.855 0.000 1.234 963 S CA -2.115 55.456 58.200 -1.048 0.000 1.028 963 S CB -0.553 62.065 63.200 -0.971 0.000 0.988 963 S HN 0.204 8.717 8.310 -0.349 -0.413 0.522 964 P HA -0.252 3.018 4.420 -1.916 0.000 0.217 964 P C 0.702 177.653 177.300 -0.581 0.000 1.148 964 P CA 2.580 64.893 63.100 -1.311 0.000 0.834 964 P CB 0.077 30.930 31.700 -1.411 0.000 0.783 965 S N -3.270 112.201 115.700 -0.383 0.000 2.357 965 S HA -0.266 4.147 4.470 -0.095 0.000 0.221 965 S C 1.174 175.706 174.600 -0.113 0.000 1.031 965 S CA 2.583 60.682 58.200 -0.169 0.000 0.982 965 S CB -0.106 63.013 63.200 -0.136 0.000 0.853 965 S HN -0.372 7.632 8.310 -0.464 0.028 0.458 966 E N 0.149 120.250 120.200 -0.166 0.000 2.204 966 E HA -0.157 4.164 4.350 -0.049 0.000 0.195 966 E C 0.006 176.582 176.600 -0.041 0.000 0.990 966 E CA 1.094 57.436 56.400 -0.096 0.000 0.821 966 E CB -0.104 29.520 29.700 -0.127 0.000 0.750 966 E HN -0.248 7.968 8.360 -0.240 0.000 0.477 967 L N -0.129 121.041 121.223 -0.088 0.000 2.456 967 L HA -0.051 4.360 4.340 0.118 0.000 0.277 967 L C -0.933 176.114 176.870 0.294 0.000 1.124 967 L CA 0.081 54.972 54.840 0.085 0.000 0.880 967 L CB -0.973 41.051 42.059 -0.059 0.000 1.192 967 L HN -0.461 7.496 8.230 -0.237 0.131 0.463 968 T N 0.555 115.340 114.554 0.386 0.000 2.907 968 T HA 0.281 4.951 4.350 0.532 0.000 0.290 968 T C -1.000 174.047 174.700 0.578 0.000 1.066 968 T CA -2.615 59.768 62.100 0.472 0.000 1.012 968 T CB 1.992 71.011 68.868 0.251 0.000 1.184 968 T HN -0.228 8.203 8.240 0.319 0.000 0.522 969 C N 0.227 119.854 119.300 0.546 0.000 2.499 969 C HA 0.255 4.618 4.460 -0.161 0.000 0.386 969 C C -1.210 173.834 174.990 0.090 0.000 1.293 969 C CA -2.699 56.377 59.018 0.095 0.000 1.884 969 C CB 0.096 27.776 27.740 -0.101 0.000 2.509 969 C HN -0.012 8.598 8.230 0.634 0.000 0.566 970 P HA 0.279 4.751 4.420 0.086 0.000 0.278 970 P C -2.408 174.953 177.300 0.102 0.000 1.266 970 P CA -1.657 61.502 63.100 0.098 0.000 0.807 970 P CB -0.169 31.601 31.700 0.117 0.000 1.094 971 P HA -0.196 4.235 4.420 0.018 0.000 0.260 971 P C -0.555 176.756 177.300 0.018 0.000 1.207 971 P CA 1.181 64.303 63.100 0.036 0.000 0.780 971 P CB -0.853 30.863 31.700 0.026 0.000 0.789 972 G N 1.068 109.833 108.800 -0.059 0.000 2.192 972 G HA2 -0.215 3.604 3.960 -0.236 0.000 0.193 972 G HA3 -0.215 3.601 3.960 -0.240 0.000 0.193 972 G C -1.655 172.964 174.900 -0.468 0.000 0.999 972 G CA -0.397 44.562 45.100 -0.235 0.000 0.659 972 G HN -0.121 8.139 8.290 -0.051 0.000 0.503 973 W N -1.293 119.909 121.300 -0.164 0.000 2.739 973 W HA 0.364 4.897 4.660 -0.212 0.000 0.331 973 W C -1.530 174.779 176.519 -0.350 0.000 1.049 973 W CA -1.095 56.091 57.345 -0.265 0.000 1.234 973 W CB 2.307 31.563 29.460 -0.340 0.000 1.404 973 W HN -0.312 7.885 8.180 0.027 0.000 0.477 974 E N 3.103 123.244 120.200 -0.098 0.000 2.158 974 E HA 0.373 4.651 4.350 -0.121 0.000 0.271 974 E C -1.375 175.121 176.600 -0.174 0.000 0.911 974 E CA -2.693 53.630 56.400 -0.129 0.000 0.767 974 E CB 2.868 32.529 29.700 -0.065 0.000 1.120 974 E HN 0.607 8.962 8.360 -0.008 0.000 0.405 975 W N 4.439 125.767 121.300 0.047 0.000 2.216 975 W HA -0.125 4.524 4.660 -0.018 0.000 0.326 975 W C -0.003 176.489 176.519 -0.045 0.000 1.319 975 W CA 0.746 58.077 57.345 -0.024 0.000 1.213 975 W CB 0.604 30.015 29.460 -0.081 0.000 1.171 975 W HN 0.540 8.668 8.180 -0.087 0.000 0.557 976 E N 3.654 123.978 120.200 0.206 0.000 2.175 976 E HA -0.012 4.368 4.350 0.051 0.000 0.195 976 E C 0.078 176.691 176.600 0.022 0.000 0.934 976 E CA 0.344 56.787 56.400 0.072 0.000 0.870 976 E CB 1.488 31.207 29.700 0.032 0.000 0.838 976 E HN 0.081 8.622 8.360 0.302 0.000 0.474 977 D N 0.656 121.048 120.400 -0.012 0.000 2.348 977 D HA 0.046 4.633 4.640 -0.089 0.000 0.249 977 D C -0.936 175.276 176.300 -0.147 0.000 1.110 977 D CA 0.766 54.701 54.000 -0.108 0.000 0.967 977 D CB 1.046 41.731 40.800 -0.191 0.000 1.139 977 D HN -0.588 7.801 8.370 0.032 0.000 0.466 978 D N 0.481 120.789 120.400 -0.154 0.000 2.380 978 D HA 0.010 4.563 4.640 -0.145 0.000 0.230 978 D C -0.625 175.544 176.300 -0.217 0.000 1.154 978 D CA -0.410 53.497 54.000 -0.154 0.000 0.859 978 D CB 0.548 41.289 40.800 -0.098 0.000 1.045 978 D HN -0.025 8.262 8.370 -0.138 0.000 0.495 979 A N 3.464 126.101 122.820 -0.305 0.000 6.890 979 A HA -0.294 3.784 4.320 -0.403 0.000 0.242 979 A C -1.745 175.584 177.584 -0.425 0.000 2.184 979 A CA 0.908 52.753 52.037 -0.320 0.000 0.705 979 A CB -0.407 18.530 19.000 -0.105 0.000 0.983 979 A HN -0.007 7.962 8.150 -0.301 0.000 0.384 980 W N -0.952 120.219 121.300 -0.215 0.000 2.358 980 W HA 0.192 4.978 4.660 -0.204 -0.249 0.307 980 W C -0.149 176.293 176.519 -0.128 0.000 1.203 980 W CA -0.590 56.642 57.345 -0.189 0.000 1.279 980 W CB 0.510 29.854 29.460 -0.193 0.000 1.264 980 W HN 0.152 8.415 8.180 0.140 0.000 0.474 981 S N 2.365 118.074 115.700 0.016 0.000 2.753 981 S HA 0.478 4.976 4.470 0.047 0.000 0.302 981 S C -1.942 172.659 174.600 0.002 0.000 1.104 981 S CA -1.068 57.111 58.200 -0.034 0.000 0.968 981 S CB 2.010 65.094 63.200 -0.194 0.000 1.278 981 S HN 0.076 8.365 8.310 -0.035 0.000 0.549 982 Y N -4.253 115.973 120.300 -0.123 0.000 2.446 982 Y HA 0.730 5.334 4.550 -0.205 -0.177 0.338 982 Y C -0.852 174.947 175.900 -0.168 0.000 1.055 982 Y CA -2.828 55.160 58.100 -0.187 0.000 1.101 982 Y CB 1.788 40.094 38.460 -0.256 0.000 1.221 982 Y HN -0.248 7.675 8.280 -0.595 0.000 0.460 983 D N 1.800 122.137 120.400 -0.105 0.000 2.295 983 D HA 0.120 4.656 4.640 -0.175 0.000 0.248 983 D C -0.374 175.885 176.300 -0.069 0.000 1.154 983 D CA -0.620 53.298 54.000 -0.137 0.000 0.857 983 D CB 1.427 42.133 40.800 -0.157 0.000 1.117 983 D HN 0.060 8.365 8.370 -0.107 0.000 0.468 984 I N 0.086 120.606 120.570 -0.085 0.000 3.936 984 I HA 0.269 4.452 4.170 0.022 0.000 0.330 984 I C -0.823 175.279 176.117 -0.026 0.000 1.509 984 I CA -2.112 59.175 61.300 -0.022 0.000 1.126 984 I CB -0.592 37.398 38.000 -0.015 0.000 1.115 984 I HN -0.043 8.083 8.210 -0.140 0.000 0.424 985 N N 1.508 120.181 118.700 -0.044 0.000 2.378 985 N HA -0.041 4.685 4.740 -0.025 0.000 0.243 985 N C -0.892 174.610 175.510 -0.013 0.000 1.137 985 N CA 0.362 53.392 53.050 -0.034 0.000 0.862 985 N CB 0.242 38.697 38.487 -0.054 0.000 1.116 985 N HN -0.089 8.518 8.380 -0.065 -0.267 0.499 986 R N -2.119 118.384 120.500 0.005 0.000 2.869 986 R HA 0.220 4.576 4.340 0.027 0.000 0.263 986 R C -1.273 175.058 176.300 0.053 0.000 1.066 986 R CA -1.219 54.898 56.100 0.028 0.000 0.960 986 R CB 3.014 33.332 30.300 0.030 0.000 1.221 986 R HN -0.664 7.499 8.270 0.008 0.112 0.474 987 A N 1.769 124.633 122.820 0.074 0.000 2.990 987 A HA 0.040 4.411 4.320 0.085 0.000 0.282 987 A C -1.448 176.214 177.584 0.131 0.000 1.688 987 A CA -0.024 52.071 52.037 0.098 0.000 1.391 987 A CB -2.169 16.895 19.000 0.106 0.000 1.112 987 A HN 0.375 8.568 8.150 0.073 0.000 0.588 988 V N -3.394 116.592 119.914 0.120 0.000 3.130 988 V HA 0.295 4.533 4.120 0.197 0.000 0.310 988 V C -1.529 174.652 176.094 0.144 0.000 1.158 988 V CA -2.938 59.449 62.300 0.146 0.000 1.029 988 V CB 3.442 35.325 31.823 0.100 0.000 1.057 988 V HN -0.600 7.620 8.190 0.096 0.027 0.436 989 D N 0.425 120.934 120.400 0.182 0.000 2.346 989 D HA -0.112 4.734 4.640 0.154 -0.113 0.236 989 D C 1.820 178.196 176.300 0.126 0.000 1.259 989 D CA 0.482 54.584 54.000 0.170 0.000 0.898 989 D CB 1.687 42.632 40.800 0.241 0.000 1.178 989 D HN -0.360 8.151 8.370 0.235 0.000 0.457 990 E N 0.786 121.056 120.200 0.116 0.000 2.171 990 E HA -0.317 4.105 4.350 0.121 0.000 0.197 990 E C 0.809 177.476 176.600 0.110 0.000 0.997 990 E CA 2.914 59.382 56.400 0.113 0.000 0.810 990 E CB -0.015 29.741 29.700 0.093 0.000 0.738 990 E HN 0.575 9.005 8.360 0.117 0.000 0.467 991 K N -4.305 116.089 120.400 -0.009 0.000 2.372 991 K HA 0.132 4.072 4.320 -0.633 0.000 0.200 991 K C -0.169 176.125 176.600 -0.509 0.000 1.022 991 K CA -0.747 55.302 56.287 -0.396 0.000 1.125 991 K CB 0.631 32.963 32.500 -0.280 0.000 0.855 991 K HN -0.261 8.390 8.250 0.079 -0.354 0.524 992 G N -2.472 106.236 108.800 -0.154 0.000 2.254 992 G HA2 -0.335 3.621 3.960 -0.007 0.000 0.225 992 G HA3 -0.335 3.476 3.960 -0.248 0.000 0.225 992 G C -0.594 174.229 174.900 -0.128 0.000 1.003 992 G CA -0.233 44.775 45.100 -0.153 0.000 0.622 992 G HN 0.095 8.168 8.290 0.003 0.219 0.507 993 W N 1.642 122.943 121.300 0.002 0.000 2.443 993 W HA -0.357 4.465 4.660 0.025 -0.148 0.335 993 W C -0.214 176.431 176.519 0.210 0.000 1.382 993 W CA 0.456 57.825 57.345 0.041 0.000 1.305 993 W CB -0.722 28.696 29.460 -0.070 0.000 1.283 993 W HN -0.280 7.595 8.180 -0.354 0.092 0.567 994 E N 2.703 123.233 120.200 0.550 0.000 2.248 994 E HA 0.370 5.175 4.350 0.544 -0.129 0.272 994 E C -0.991 176.133 176.600 0.873 0.000 1.008 994 E CA -1.798 54.986 56.400 0.639 0.000 0.856 994 E CB 2.749 32.786 29.700 0.562 0.000 1.120 994 E HN 0.596 9.146 8.360 0.494 0.107 0.397 995 Y N 4.686 125.277 120.300 0.485 0.000 2.620 995 Y HA 0.055 3.932 4.550 -1.121 0.000 0.352 995 Y C -0.807 174.925 175.900 -0.280 0.000 1.140 995 Y CA -1.290 56.703 58.100 -0.178 0.000 1.529 995 Y CB -0.233 38.158 38.460 -0.116 0.000 1.321 995 Y HN 0.356 9.108 8.280 0.681 -0.063 0.501 996 G N 8.778 117.310 108.800 -0.447 0.000 2.716 996 G HA2 0.220 3.433 3.960 -1.567 0.000 0.333 996 G HA3 0.220 3.643 3.960 -0.896 0.000 0.333 996 G C -3.023 171.491 174.900 -0.642 0.000 1.168 996 G CA -1.453 43.070 45.100 -0.961 0.000 1.064 996 G HN 0.271 8.529 8.290 -0.053 0.000 0.479 997 I N 4.547 124.591 120.570 -0.876 0.000 2.353 997 I HA 0.328 4.301 4.170 -0.329 0.000 0.293 997 I C -1.552 174.311 176.117 -0.423 0.000 0.992 997 I CA -1.905 59.055 61.300 -0.566 0.000 1.268 997 I CB 1.691 39.270 38.000 -0.703 0.000 1.387 997 I HN -0.086 7.439 8.210 -1.143 0.000 0.478 998 T N 11.239 125.630 114.554 -0.271 0.000 3.145 998 T HA 0.188 4.372 4.350 -0.275 0.000 0.362 998 T C -0.311 174.298 174.700 -0.152 0.000 1.340 998 T CA -0.932 61.025 62.100 -0.237 0.000 1.069 998 T CB -0.536 68.182 68.868 -0.249 0.000 1.129 998 T HN 0.173 8.299 8.240 -0.191 0.000 0.585 999 I N 2.333 122.810 120.570 -0.156 0.000 2.452 999 I HA 0.273 4.396 4.170 -0.078 0.000 0.287 999 I C -1.780 174.291 176.117 -0.078 0.000 1.079 999 I CA -3.127 58.109 61.300 -0.106 0.000 1.387 999 I CB -0.714 37.213 38.000 -0.122 0.000 1.404 999 I HN -0.494 7.596 8.210 -0.200 0.000 0.522 1000 P HA 0.299 4.774 4.420 -0.030 -0.073 0.271 1000 P C -1.939 175.342 177.300 -0.032 0.000 1.216 1000 P CA -1.416 61.666 63.100 -0.031 0.000 0.771 1000 P CB -0.565 31.127 31.700 -0.014 0.000 0.864 1001 P HA 0.264 4.676 4.420 -0.014 0.000 0.292 1001 P C -2.070 175.213 177.300 -0.028 0.000 1.283 1001 P CA -0.580 62.507 63.100 -0.021 0.000 0.835 1001 P CB 1.333 33.023 31.700 -0.017 0.000 1.017 1002 D N -1.411 118.980 120.400 -0.014 0.000 3.133 1002 D HA -0.067 4.576 4.640 0.005 0.000 0.282 1002 D C -0.819 175.504 176.300 0.038 0.000 1.059 1002 D CA -0.005 53.990 54.000 -0.007 0.000 0.721 1002 D CB 1.449 42.218 40.800 -0.052 0.000 1.558 1002 D HN -0.094 8.276 8.370 -0.001 0.000 0.467 1003 H N -0.947 118.075 119.070 -0.080 0.000 2.516 1003 H HA 0.067 4.576 4.556 -0.078 0.000 0.284 1003 H C -0.160 175.089 175.328 -0.131 0.000 0.999 1003 H CA 0.599 56.598 56.048 -0.083 0.000 1.303 1003 H CB 1.452 31.184 29.762 -0.050 0.000 1.452 1003 H HN 0.105 8.450 8.280 0.109 0.000 0.530 1004 K N -1.893 118.449 120.400 -0.097 0.000 2.328 1004 K HA 0.509 4.616 4.320 -0.354 0.000 0.246 1004 K C -2.907 173.552 176.600 -0.234 0.000 0.955 1004 K CA -3.701 52.464 56.287 -0.202 0.000 0.817 1004 K CB -0.831 31.628 32.500 -0.068 0.000 1.208 1004 K HN -0.778 7.675 8.250 -0.004 -0.205 0.432 1005 P HA -0.023 4.275 4.420 -0.539 -0.202 0.263 1005 P C -0.203 176.853 177.300 -0.407 0.000 1.195 1005 P CA -0.280 62.495 63.100 -0.541 0.000 0.762 1005 P CB 0.509 31.642 31.700 -0.945 0.000 0.799 1006 K N 0.113 120.288 120.400 -0.377 0.000 2.438 1006 K HA 0.171 4.466 4.320 -0.042 0.000 0.205 1006 K C -0.811 175.653 176.600 -0.227 0.000 1.033 1006 K CA -0.496 55.681 56.287 -0.183 0.000 1.089 1006 K CB 0.328 32.767 32.500 -0.101 0.000 0.857 1006 K HN 0.286 8.293 8.250 -0.405 0.000 0.522 1007 S N -0.130 115.246 115.700 -0.540 0.000 2.548 1007 S HA 0.188 4.570 4.470 -0.147 0.000 0.276 1007 S C -2.545 171.594 174.600 -0.768 0.000 1.129 1007 S CA -0.177 57.772 58.200 -0.418 0.000 0.931 1007 S CB 1.281 64.303 63.200 -0.297 0.000 1.068 1007 S HN -0.648 7.090 8.310 -0.821 0.079 0.480 1008 W N 4.890 126.191 121.300 0.001 0.000 2.915 1008 W HA 0.540 5.461 4.660 0.039 -0.237 0.337 1008 W C -1.606 175.012 176.519 0.165 0.000 1.102 1008 W CA -1.117 56.270 57.345 0.069 0.000 1.224 1008 W CB 2.576 32.077 29.460 0.069 0.000 1.416 1008 W HN 0.138 8.407 8.180 0.149 0.000 0.503 1009 V N 1.909 122.109 119.914 0.477 0.000 3.114 1009 V HA 0.248 4.541 4.120 0.288 0.000 0.308 1009 V C -1.029 175.270 176.094 0.341 0.000 1.168 1009 V CA -1.828 60.689 62.300 0.362 0.000 1.015 1009 V CB 4.433 36.453 31.823 0.328 0.000 1.050 1009 V HN -0.428 8.199 8.190 0.562 -0.099 0.433 1010 A N 0.922 123.884 122.820 0.236 0.000 2.259 1010 A HA 0.046 4.519 4.320 0.255 0.000 0.208 1010 A C -1.314 176.392 177.584 0.203 0.000 1.201 1010 A CA 1.009 53.176 52.037 0.217 0.000 0.824 1010 A CB -0.015 19.077 19.000 0.153 0.000 0.838 1010 A HN 0.349 8.612 8.150 0.189 0.000 0.485 1011 A N -3.154 119.782 122.820 0.193 0.000 2.343 1011 A HA 0.128 4.534 4.320 0.143 0.000 0.316 1011 A C -1.212 176.517 177.584 0.240 0.000 1.104 1011 A CA -1.755 50.369 52.037 0.145 0.000 0.768 1011 A CB 2.069 21.097 19.000 0.047 0.000 1.213 1011 A HN -0.645 7.535 8.150 0.199 0.089 0.456 1012 E N 3.578 123.894 120.200 0.193 0.000 2.238 1012 E HA -0.165 4.309 4.350 0.205 0.000 0.264 1012 E C -1.123 175.557 176.600 0.133 0.000 1.136 1012 E CA 0.211 56.684 56.400 0.121 0.000 0.929 1012 E CB -0.818 28.854 29.700 -0.047 0.000 1.010 1012 E HN 0.238 8.681 8.360 0.138 0.000 0.440 1013 K N 6.346 126.950 120.400 0.340 0.000 2.156 1013 K HA 0.252 4.588 4.320 0.028 0.000 0.254 1013 K C 1.276 178.045 176.600 0.282 0.000 0.950 1013 K CA -1.990 54.387 56.287 0.150 0.000 0.849 1013 K CB 1.720 34.090 32.500 -0.216 0.000 1.100 1013 K HN -0.567 8.207 8.250 0.873 0.000 0.434 1014 M N 2.063 121.663 119.600 0.001 0.000 2.149 1014 M HA -0.322 4.142 4.480 -0.026 0.000 0.261 1014 M C 0.460 176.755 176.300 -0.007 0.000 1.064 1014 M CA 3.755 59.001 55.300 -0.089 0.000 1.102 1014 M CB -0.324 32.114 32.600 -0.269 0.000 1.369 1014 M HN 0.558 8.790 8.290 -0.096 0.000 0.408 1015 Y N -5.322 115.113 120.300 0.225 0.000 2.716 1015 Y HA -0.330 4.285 4.550 0.109 0.000 0.302 1015 Y C 0.192 176.229 175.900 0.229 0.000 1.160 1015 Y CA 0.140 58.369 58.100 0.215 0.000 1.362 1015 Y CB -1.693 36.923 38.460 0.261 0.000 0.988 1015 Y HN -0.676 7.439 8.280 -0.276 0.000 0.546 1016 H N 1.258 120.555 119.070 0.378 0.000 3.248 1016 H HA -0.199 4.565 4.556 0.346 0.000 0.258 1016 H C 1.041 176.405 175.328 0.061 0.000 0.923 1016 H CA 2.495 58.744 56.048 0.335 0.000 1.416 1016 H CB -0.691 29.392 29.762 0.535 0.000 1.523 1016 H HN -0.345 8.123 8.280 0.644 0.199 0.528 1017 T N 7.864 122.520 114.554 0.169 0.000 3.044 1017 T HA 0.160 4.652 4.350 -0.068 -0.183 0.255 1017 T C -0.159 174.771 174.700 0.383 0.000 1.073 1017 T CA 2.039 64.187 62.100 0.081 0.000 1.125 1017 T CB 1.243 70.113 68.868 0.004 0.000 0.908 1017 T HN -0.112 8.186 8.240 0.096 0.000 0.480 1018 H N 0.418 119.714 119.070 0.376 0.000 2.961 1018 H HA 0.857 6.001 4.556 0.653 -0.196 0.371 1018 H C -2.316 173.396 175.328 0.640 0.000 1.190 1018 H CA -1.275 55.080 56.048 0.512 0.000 1.138 1018 H CB 4.502 34.400 29.762 0.226 0.000 1.816 1018 H HN -0.056 8.439 8.280 0.424 0.039 0.551 1019 R N -0.759 120.006 120.500 0.441 0.000 2.604 1019 R HA 0.962 5.978 4.340 0.778 -0.209 0.270 1019 R C -2.418 174.137 176.300 0.425 0.000 1.052 1019 R CA -1.480 54.897 56.100 0.462 0.000 0.902 1019 R CB 4.154 34.468 30.300 0.023 0.000 1.233 1019 R HN -0.049 8.319 8.270 0.163 0.000 0.455 1020 R N -0.675 120.152 120.500 0.544 0.000 2.764 1020 R HA 1.066 5.821 4.340 0.423 -0.161 0.270 1020 R C -1.985 174.429 176.300 0.189 0.000 1.014 1020 R CA -1.562 54.745 56.100 0.345 0.000 0.904 1020 R CB 4.485 34.901 30.300 0.193 0.000 1.236 1020 R HN -0.097 8.545 8.270 0.620 0.000 0.466 1021 R N -2.819 117.636 120.500 -0.075 0.000 2.668 1021 R HA 0.449 4.708 4.340 -0.136 0.000 0.272 1021 R C -1.755 174.238 176.300 -0.513 0.000 1.019 1021 R CA -1.503 54.411 56.100 -0.309 0.000 0.894 1021 R CB 4.317 34.199 30.300 -0.696 0.000 1.228 1021 R HN 0.562 8.779 8.270 -0.087 0.000 0.460 1022 R N 3.439 123.474 120.500 -0.774 0.000 2.248 1022 R HA -0.042 3.757 4.340 -1.124 -0.133 0.328 1022 R C -1.558 174.520 176.300 -0.370 0.000 1.067 1022 R CA -0.310 55.248 56.100 -0.904 0.000 0.924 1022 R CB 0.137 29.857 30.300 -0.966 0.000 1.013 1022 R HN 0.585 8.513 8.270 -0.570 0.000 0.454 1023 L N 7.424 128.524 121.223 -0.206 0.000 2.319 1023 L HA 0.647 5.260 4.340 -0.006 -0.277 0.280 1023 L C -0.334 176.639 176.870 0.172 0.000 1.099 1023 L CA -0.797 54.053 54.840 0.017 0.000 0.828 1023 L CB 0.325 42.438 42.059 0.091 0.000 1.150 1023 L HN 0.490 8.485 8.230 -0.232 0.096 0.442 1024 V N -2.942 117.024 119.914 0.086 0.000 2.459 1024 V HA 0.704 5.004 4.120 0.064 -0.142 0.295 1024 V C -1.290 174.658 176.094 -0.243 0.000 1.029 1024 V CA -2.645 59.643 62.300 -0.021 0.000 0.874 1024 V CB 2.193 33.937 31.823 -0.131 0.000 0.985 1024 V HN 0.492 8.576 8.190 0.028 0.123 0.438 1025 R N 5.300 125.491 120.500 -0.515 0.000 2.695 1025 R HA 0.297 4.312 4.340 -0.542 0.000 0.288 1025 R C -2.049 174.027 176.300 -0.373 0.000 1.344 1025 R CA -0.491 55.114 56.100 -0.825 0.000 1.005 1025 R CB 3.422 32.536 30.300 -1.978 0.000 1.233 1025 R HN 0.659 8.762 8.270 -0.278 0.000 0.442 1026 K N 7.739 128.041 120.400 -0.163 0.000 2.202 1026 K HA 0.110 4.626 4.320 -0.023 -0.209 0.264 1026 K C -0.982 175.694 176.600 0.127 0.000 1.010 1026 K CA -0.262 56.008 56.287 -0.028 0.000 0.940 1026 K CB 1.903 34.358 32.500 -0.076 0.000 0.983 1026 K HN -0.484 7.832 8.250 -0.194 -0.182 0.475 1027 R N -0.826 119.747 120.500 0.122 0.000 2.855 1027 R HA 0.680 5.257 4.340 0.135 -0.157 0.266 1027 R C -1.983 174.444 176.300 0.212 0.000 1.034 1027 R CA -1.822 54.332 56.100 0.091 0.000 0.944 1027 R CB 3.836 33.966 30.300 -0.282 0.000 1.219 1027 R HN 0.284 8.607 8.270 0.088 0.000 0.474 1028 K N -1.574 118.997 120.400 0.286 0.000 2.523 1028 K HA 0.431 5.150 4.320 0.412 -0.152 0.257 1028 K C -1.752 174.896 176.600 0.081 0.000 0.932 1028 K CA -0.799 55.646 56.287 0.264 0.000 0.812 1028 K CB 4.260 36.798 32.500 0.064 0.000 1.326 1028 K HN 0.612 8.982 8.250 0.201 0.000 0.433 1029 K N 4.655 124.863 120.400 -0.321 0.000 2.379 1029 K HA 0.155 4.033 4.320 -0.982 -0.147 0.194 1029 K C -0.182 176.194 176.600 -0.374 0.000 1.031 1029 K CA 0.213 55.998 56.287 -0.837 0.000 1.037 1029 K CB 1.062 32.797 32.500 -1.275 0.000 0.824 1029 K HN 0.750 8.821 8.250 -0.134 0.099 0.516 1030 D N -1.861 118.440 120.400 -0.165 0.000 2.955 1030 D HA -0.322 4.354 4.640 0.061 0.000 0.226 1030 D C 0.586 176.860 176.300 -0.044 0.000 1.178 1030 D CA 1.670 55.647 54.000 -0.039 0.000 0.808 1030 D CB -0.869 39.897 40.800 -0.056 0.000 1.099 1030 D HN 0.094 8.296 8.370 -0.116 0.098 0.421 1031 L N -5.355 115.798 121.223 -0.116 0.000 3.888 1031 L HA -0.523 3.720 4.340 -0.163 0.000 0.362 1031 L C -1.059 175.721 176.870 -0.150 0.000 0.963 1031 L CA 3.016 57.778 54.840 -0.130 0.000 2.926 1031 L CB -1.206 40.803 42.059 -0.084 0.000 0.851 1031 L HN 0.458 8.472 8.230 -0.169 0.115 0.728 1032 T N -2.488 111.994 114.554 -0.120 0.000 3.023 1032 T HA -0.227 4.066 4.350 -0.096 0.000 0.266 1032 T C 2.196 176.817 174.700 -0.132 0.000 1.093 1032 T CA 2.527 64.563 62.100 -0.106 0.000 1.129 1032 T CB 0.292 69.117 68.868 -0.072 0.000 0.899 1032 T HN -0.154 7.903 8.240 -0.097 0.124 0.491 1033 Q N 0.619 120.309 119.800 -0.183 0.000 1.993 1033 Q HA -0.199 4.058 4.340 -0.138 0.000 0.202 1033 Q C 0.723 176.603 176.000 -0.199 0.000 0.984 1033 Q CA 2.810 58.497 55.803 -0.194 0.000 0.837 1033 Q CB 0.493 29.083 28.738 -0.246 0.000 0.902 1033 Q HN -0.569 7.538 8.270 -0.211 0.037 0.423 1034 T N -3.797 110.591 114.554 -0.276 0.000 3.254 1034 T HA 0.260 4.523 4.350 -0.144 0.000 0.385 1034 T C -1.685 172.914 174.700 -0.168 0.000 1.528 1034 T CA -1.465 60.512 62.100 -0.206 0.000 1.212 1034 T CB -0.954 67.784 68.868 -0.216 0.000 1.145 1034 T HN -0.204 7.799 8.240 -0.395 0.000 0.631 1035 A N 4.771 127.517 122.820 -0.123 0.000 2.035 1035 A HA 0.221 4.480 4.320 -0.102 0.000 0.208 1035 A C -0.158 177.386 177.584 -0.067 0.000 1.206 1035 A CA 0.544 52.524 52.037 -0.095 0.000 0.773 1035 A CB 0.680 19.628 19.000 -0.087 0.000 0.878 1035 A HN -0.135 7.948 8.150 -0.113 0.000 0.469 1036 S N -0.264 115.400 115.700 -0.060 0.000 2.537 1036 S HA 0.325 4.772 4.470 -0.038 0.000 0.301 1036 S C -0.998 173.579 174.600 -0.038 0.000 1.092 1036 S CA -0.205 57.969 58.200 -0.043 0.000 1.048 1036 S CB 1.898 65.076 63.200 -0.038 0.000 1.053 1036 S HN 0.067 8.336 8.310 -0.068 0.000 0.501 1037 S N 1.811 117.494 115.700 -0.027 0.000 2.568 1037 S HA 0.202 4.659 4.470 -0.022 0.000 0.302 1037 S C -0.567 174.024 174.600 -0.015 0.000 1.082 1037 S CA -0.685 57.503 58.200 -0.020 0.000 1.009 1037 S CB 1.780 64.971 63.200 -0.015 0.000 1.069 1037 S HN 0.099 8.394 8.310 -0.025 0.000 0.500 1038 T N 5.073 119.621 114.554 -0.011 0.000 2.750 1038 T HA -0.082 4.262 4.350 -0.010 0.000 0.286 1038 T C -0.711 173.986 174.700 -0.006 0.000 0.911 1038 T CA 0.773 62.868 62.100 -0.008 0.000 1.130 1038 T CB 0.273 69.138 68.868 -0.005 0.000 0.873 1038 T HN 0.255 8.489 8.240 -0.010 0.000 0.536 1039 A N 6.510 129.326 122.820 -0.007 0.000 2.310 1039 A HA 0.262 4.579 4.320 -0.005 0.000 0.300 1039 A C -0.910 176.671 177.584 -0.004 0.000 1.269 1039 A CA -0.133 51.900 52.037 -0.006 0.000 0.909 1039 A CB 0.600 19.596 19.000 -0.007 0.000 1.144 1039 A HN 0.508 8.653 8.150 -0.008 0.000 0.540 1040 R N 0.000 120.498 120.500 -0.003 0.000 2.786 1040 R HA 0.000 4.339 4.340 -0.002 0.000 0.208 1040 R CA 0.000 56.099 56.100 -0.002 0.000 0.921 1040 R CB 0.000 30.299 30.300 -0.001 0.000 0.687 1040 R HN 0.000 8.268 8.270 -0.003 0.000 0.535