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 1zgu_10_A DATA FIRST_RESID 12 DATA SEQUENCE VKVPRNFRLL EELEEGQKGV GDGTVSWGLE DDEDMTLTRW TGMIIGPPRT DATA SEQUENCE NYENRIYSLK VECGPKYPEA PPSVRFVTKI NMNGINNSSG MVDARSIPVL DATA SEQUENCE AKWQNSYSIK VVLQELRRLM MSKENMKLPQ PPEGQTYNN 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 12 V HA 0.000 4.147 4.120 0.044 0.000 0.244 12 V C 0.000 176.125 176.094 0.051 0.000 1.182 12 V CA 0.000 62.325 62.300 0.042 0.000 1.235 12 V CB 0.000 31.849 31.823 0.043 0.000 1.184 13 K N 6.422 126.862 120.400 0.065 0.000 2.095 13 K HA 0.148 4.507 4.320 0.065 0.000 0.258 13 K C 0.784 177.442 176.600 0.098 0.000 1.120 13 K CA -0.107 56.227 56.287 0.079 0.000 1.026 13 K CB -1.050 31.506 32.500 0.093 0.000 1.256 13 K HN 0.347 8.637 8.250 0.067 0.000 0.360 14 V N 5.236 125.199 119.914 0.081 0.000 2.255 14 V HA -0.419 3.764 4.120 0.104 0.000 0.247 14 V C -0.675 175.509 176.094 0.149 0.000 1.051 14 V CA 5.758 68.114 62.300 0.093 0.000 1.018 14 V CB -2.073 29.773 31.823 0.038 0.000 0.641 14 V HN -0.067 8.142 8.190 0.060 0.017 0.445 15 P HA -0.249 4.288 4.420 0.195 0.000 0.215 15 P C 1.516 178.927 177.300 0.185 0.000 1.157 15 P CA 3.298 66.491 63.100 0.155 0.000 0.874 15 P CB -0.663 31.091 31.700 0.090 0.000 0.790 16 R N -2.237 118.367 120.500 0.172 0.000 2.073 16 R HA -0.309 4.177 4.340 0.244 0.000 0.234 16 R C 1.882 178.338 176.300 0.260 0.000 1.134 16 R CA 3.270 59.509 56.100 0.232 0.000 0.952 16 R CB -0.572 29.869 30.300 0.234 0.000 0.850 16 R HN 0.117 8.473 8.270 0.144 0.000 0.433 17 N N -0.955 117.882 118.700 0.228 0.000 2.043 17 N HA -0.288 4.587 4.740 0.225 0.000 0.193 17 N C 1.992 177.667 175.510 0.275 0.000 1.037 17 N CA 3.894 57.082 53.050 0.230 0.000 0.851 17 N CB 0.085 38.685 38.487 0.188 0.000 1.027 17 N HN -0.219 8.279 8.380 0.197 0.000 0.422 18 F N 1.141 121.160 119.950 0.116 0.000 2.134 18 F HA -0.285 4.303 4.527 0.101 0.000 0.299 18 F C 1.644 177.519 175.800 0.124 0.000 1.097 18 F CA 2.831 60.894 58.000 0.104 0.000 1.264 18 F CB 0.017 39.060 39.000 0.073 0.000 1.001 18 F HN 0.569 8.984 8.300 0.374 0.109 0.479 19 R N -0.288 120.270 120.500 0.096 0.000 2.083 19 R HA -0.313 4.116 4.340 -0.123 -0.163 0.237 19 R C 2.349 178.682 176.300 0.056 0.000 1.137 19 R CA 2.500 58.610 56.100 0.017 0.000 0.951 19 R CB -0.642 29.727 30.300 0.116 0.000 0.851 19 R HN -0.064 8.346 8.270 0.233 0.000 0.434 20 L N -2.046 119.288 121.223 0.184 0.000 2.141 20 L HA -0.307 4.116 4.340 0.138 0.000 0.209 20 L C 2.060 179.119 176.870 0.316 0.000 1.094 20 L CA 2.848 57.852 54.840 0.272 0.000 0.763 20 L CB -0.294 42.021 42.059 0.425 0.000 0.908 20 L HN -0.139 8.229 8.230 0.230 0.000 0.437 21 L N -1.529 119.799 121.223 0.174 0.000 2.093 21 L HA -0.450 4.006 4.340 0.194 0.000 0.208 21 L C 2.312 179.199 176.870 0.028 0.000 1.085 21 L CA 3.215 58.128 54.840 0.121 0.000 0.755 21 L CB -0.646 41.473 42.059 0.100 0.000 0.904 21 L HN -0.027 8.174 8.230 0.141 0.114 0.435 22 E N -1.050 119.075 120.200 -0.124 0.000 2.047 22 E HA -0.387 3.880 4.350 -0.139 0.000 0.191 22 E C 2.489 179.101 176.600 0.020 0.000 0.987 22 E CA 3.396 59.714 56.400 -0.138 0.000 0.799 22 E CB -0.234 29.304 29.700 -0.271 0.000 0.752 22 E HN -0.199 7.939 8.360 -0.202 0.101 0.449 23 E N -0.465 119.785 120.200 0.083 0.000 2.160 23 E HA -0.336 4.176 4.350 0.270 0.000 0.195 23 E C 2.549 179.316 176.600 0.279 0.000 0.991 23 E CA 2.846 59.362 56.400 0.193 0.000 0.810 23 E CB -0.236 29.444 29.700 -0.032 0.000 0.742 23 E HN -0.185 8.203 8.360 0.046 0.000 0.466 24 L N -1.322 120.140 121.223 0.398 0.000 2.042 24 L HA -0.318 4.407 4.340 0.641 0.000 0.210 24 L C 1.328 178.230 176.870 0.052 0.000 1.076 24 L CA 3.620 58.693 54.840 0.388 0.000 0.749 24 L CB -0.025 42.213 42.059 0.298 0.000 0.893 24 L HN -0.127 8.227 8.230 0.385 0.107 0.432 25 E N -2.440 117.770 120.200 0.017 0.000 2.158 25 E HA -0.247 4.282 4.350 -0.066 -0.219 0.191 25 E C 2.604 179.126 176.600 -0.130 0.000 0.982 25 E CA 2.232 58.600 56.400 -0.054 0.000 0.823 25 E CB -0.134 29.550 29.700 -0.025 0.000 0.766 25 E HN -0.671 7.635 8.360 0.059 0.089 0.468 26 E N -0.247 119.888 120.200 -0.108 0.000 2.118 26 E HA -0.279 4.026 4.350 -0.075 0.000 0.195 26 E C 2.434 178.657 176.600 -0.629 0.000 0.992 26 E CA 2.586 58.903 56.400 -0.140 0.000 0.804 26 E CB -0.496 29.327 29.700 0.206 0.000 0.741 26 E HN 0.338 8.502 8.360 -0.017 0.186 0.458 27 G N -4.004 104.109 108.800 -1.144 0.000 2.534 27 G HA2 -0.144 2.346 3.960 -2.450 0.000 0.217 27 G HA3 -0.144 2.935 3.960 -1.808 -0.204 0.217 27 G C 0.766 175.261 174.900 -0.674 0.000 1.128 27 G CA 1.103 45.216 45.100 -1.646 0.000 0.784 27 G HN -0.127 7.684 8.290 -0.782 0.010 0.542 28 Q N -1.715 117.842 119.800 -0.404 0.000 2.360 28 Q HA 0.021 4.241 4.340 -0.201 0.000 0.202 28 Q C 0.531 176.434 176.000 -0.163 0.000 0.915 28 Q CA 1.109 56.781 55.803 -0.219 0.000 0.943 28 Q CB 0.177 28.829 28.738 -0.144 0.000 1.064 28 Q HN -0.314 7.541 8.270 -0.386 0.184 0.511 29 K N -1.290 118.998 120.400 -0.186 0.000 2.354 29 K HA 0.183 4.457 4.320 -0.077 0.000 0.210 29 K C 0.649 177.199 176.600 -0.084 0.000 1.184 29 K CA -0.140 56.085 56.287 -0.104 0.000 0.880 29 K CB 1.899 34.356 32.500 -0.071 0.000 1.328 29 K HN -0.459 7.431 8.250 -0.278 0.193 0.466 30 G N -0.331 108.408 108.800 -0.102 0.000 2.392 30 G HA2 -0.252 3.726 3.960 0.030 0.000 0.215 30 G HA3 -0.252 3.711 3.960 0.005 0.000 0.215 30 G C -1.017 173.922 174.900 0.065 0.000 1.097 30 G CA -0.205 44.895 45.100 -0.000 0.000 0.840 30 G HN 0.278 8.358 8.290 -0.173 0.106 0.492 31 V N 1.978 121.940 119.914 0.080 0.000 2.421 31 V HA -0.114 4.038 4.120 0.054 0.000 0.271 31 V C 0.012 176.170 176.094 0.108 0.000 1.031 31 V CA 0.956 63.304 62.300 0.081 0.000 1.032 31 V CB -1.980 29.884 31.823 0.069 0.000 1.009 31 V HN -0.583 7.648 8.190 0.068 0.000 0.477 32 G N 6.894 115.740 108.800 0.076 0.000 2.013 32 G HA2 -0.205 3.784 3.960 0.047 0.000 0.076 32 G HA3 -0.205 3.997 3.960 0.077 -0.195 0.076 32 G C -0.745 174.188 174.900 0.055 0.000 1.053 32 G CA 0.020 45.159 45.100 0.065 0.000 1.230 32 G HN -0.510 7.816 8.290 0.060 0.000 0.431 33 D N 3.151 123.585 120.400 0.058 0.000 2.117 33 D HA -0.115 4.547 4.640 0.036 0.000 0.198 33 D C 1.308 177.641 176.300 0.055 0.000 0.982 33 D CA 1.451 55.480 54.000 0.049 0.000 0.828 33 D CB 0.672 41.498 40.800 0.044 0.000 0.967 33 D HN 0.351 9.180 8.370 0.065 -0.420 0.464 34 G N -1.451 107.394 108.800 0.076 0.000 2.284 34 G HA2 -0.215 3.949 3.960 0.064 0.000 0.216 34 G HA3 -0.215 3.775 3.960 0.050 0.000 0.216 34 G C 0.624 175.568 174.900 0.073 0.000 1.009 34 G CA 0.199 45.338 45.100 0.066 0.000 0.625 34 G HN 0.314 8.664 8.290 0.099 0.000 0.501 35 T N -0.161 114.442 114.554 0.081 0.000 2.894 35 T HA -0.121 4.272 4.350 0.072 0.000 0.258 35 T C 0.473 175.246 174.700 0.123 0.000 1.043 35 T CA 1.597 63.748 62.100 0.085 0.000 1.141 35 T CB 0.781 69.693 68.868 0.074 0.000 0.873 35 T HN -0.612 7.798 8.240 0.077 -0.124 0.449 36 V N -0.071 119.940 119.914 0.161 0.000 2.584 36 V HA -0.060 4.179 4.120 0.199 0.000 0.303 36 V C -1.261 175.074 176.094 0.401 0.000 1.035 36 V CA 0.222 62.677 62.300 0.258 0.000 1.172 36 V CB -1.113 30.852 31.823 0.236 0.000 0.896 36 V HN -0.431 7.840 8.190 0.136 0.000 0.486 37 S N 6.257 122.197 115.700 0.399 0.000 2.571 37 S HA 0.488 5.030 4.470 0.120 0.000 0.284 37 S C -1.673 173.191 174.600 0.441 0.000 1.128 37 S CA -0.433 57.937 58.200 0.283 0.000 0.970 37 S CB 2.994 66.258 63.200 0.106 0.000 1.039 37 S HN -0.413 8.095 8.310 0.329 0.000 0.485 38 W N 1.030 122.370 121.300 0.067 0.000 2.988 38 W HA 0.853 5.684 4.660 0.093 -0.116 0.355 38 W C -1.807 174.822 176.519 0.183 0.000 1.233 38 W CA -1.220 56.194 57.345 0.114 0.000 1.176 38 W CB 2.820 32.346 29.460 0.110 0.000 1.477 38 W HN -0.011 7.978 8.180 -0.319 0.000 0.582 39 G N -3.757 105.275 108.800 0.387 0.000 2.488 39 G HA2 0.188 4.300 3.960 0.254 0.000 0.301 39 G HA3 0.188 4.173 3.960 0.041 0.000 0.301 39 G C -2.842 172.111 174.900 0.089 0.000 1.339 39 G CA -0.569 44.657 45.100 0.211 0.000 0.803 39 G HN 0.125 8.739 8.290 0.539 0.000 0.482 40 L N -0.414 120.621 121.223 -0.314 0.000 2.416 40 L HA -0.132 3.573 4.340 -1.058 0.000 0.272 40 L C 0.238 176.943 176.870 -0.275 0.000 1.161 40 L CA 0.901 55.384 54.840 -0.594 0.000 0.845 40 L CB 0.640 42.357 42.059 -0.571 0.000 1.119 40 L HN 0.227 8.307 8.230 -0.251 0.000 0.464 41 E N 6.581 126.629 120.200 -0.253 0.000 2.051 41 E HA -0.219 4.091 4.350 -0.067 0.000 0.189 41 E C 0.821 177.350 176.600 -0.119 0.000 0.979 41 E CA 1.977 58.306 56.400 -0.117 0.000 0.803 41 E CB 0.552 30.210 29.700 -0.069 0.000 0.761 41 E HN 0.371 8.505 8.360 -0.377 0.000 0.451 42 D N -2.055 118.252 120.400 -0.155 0.000 2.162 42 D HA -0.145 4.444 4.640 -0.085 0.000 0.203 42 D C 1.283 177.512 176.300 -0.118 0.000 0.967 42 D CA 1.470 55.399 54.000 -0.118 0.000 0.840 42 D CB 0.565 41.295 40.800 -0.117 0.000 0.972 42 D HN -0.230 8.014 8.370 -0.210 0.000 0.482 43 D N -3.908 116.392 120.400 -0.165 0.000 3.587 43 D HA -0.346 4.185 4.640 -0.183 0.000 0.199 43 D C 0.396 176.627 176.300 -0.114 0.000 1.393 43 D CA 2.914 56.828 54.000 -0.144 0.000 2.278 43 D CB -1.068 39.672 40.800 -0.100 0.000 1.271 43 D HN 0.345 8.578 8.370 -0.228 0.000 0.427 44 E N -1.557 118.591 120.200 -0.088 0.000 2.051 44 E HA -0.114 4.202 4.350 -0.058 0.000 0.189 44 E C 0.242 176.803 176.600 -0.066 0.000 0.979 44 E CA 0.869 57.230 56.400 -0.065 0.000 0.803 44 E CB 0.546 30.217 29.700 -0.048 0.000 0.761 44 E HN -0.066 8.136 8.360 -0.085 0.108 0.451 45 D N 0.501 120.855 120.400 -0.076 0.000 2.389 45 D HA -0.084 4.528 4.640 -0.047 0.000 0.263 45 D C 0.621 176.872 176.300 -0.082 0.000 1.255 45 D CA 0.721 54.680 54.000 -0.069 0.000 0.914 45 D CB 0.241 40.998 40.800 -0.071 0.000 1.116 45 D HN -0.362 8.262 8.370 -0.082 -0.303 0.502 46 M N 5.233 124.804 119.600 -0.048 0.000 2.568 46 M HA 0.019 4.464 4.480 -0.058 0.000 0.226 46 M C 0.265 176.562 176.300 -0.005 0.000 1.148 46 M CA -0.010 55.271 55.300 -0.032 0.000 1.007 46 M CB -0.636 31.960 32.600 -0.006 0.000 1.651 46 M HN 0.168 8.438 8.290 -0.033 0.000 0.488 47 T N -5.330 109.216 114.554 -0.013 0.000 2.995 47 T HA -0.160 4.214 4.350 0.040 0.000 0.269 47 T C 0.373 175.103 174.700 0.049 0.000 1.091 47 T CA 1.089 63.202 62.100 0.021 0.000 1.128 47 T CB 0.666 69.541 68.868 0.011 0.000 0.891 47 T HN -0.618 7.746 8.240 -0.033 -0.144 0.492 48 L N -4.098 117.118 121.223 -0.011 0.000 3.717 48 L HA -0.424 3.744 4.340 -0.287 0.000 0.414 48 L C 0.312 177.301 176.870 0.198 0.000 1.228 48 L CA 0.715 55.573 54.840 0.029 0.000 0.918 48 L CB -2.460 39.765 42.059 0.276 0.000 1.865 48 L HN -0.383 7.762 8.230 -0.079 0.038 0.922 49 T N -1.125 113.458 114.554 0.050 0.000 3.010 49 T HA -0.046 4.510 4.350 0.123 -0.132 0.252 49 T C -0.015 174.747 174.700 0.103 0.000 1.047 49 T CA 2.815 64.966 62.100 0.084 0.000 1.140 49 T CB 0.956 69.841 68.868 0.029 0.000 0.885 49 T HN -0.605 7.600 8.240 -0.030 0.018 0.464 50 R N 0.403 120.890 120.500 -0.021 0.000 2.295 50 R HA 0.394 4.899 4.340 0.080 -0.117 0.324 50 R C -1.644 174.586 176.300 -0.118 0.000 0.968 50 R CA -0.708 55.386 56.100 -0.010 0.000 0.837 50 R CB 1.718 31.989 30.300 -0.048 0.000 1.133 50 R HN -0.214 7.988 8.270 -0.114 0.000 0.450 51 W N 4.487 125.767 121.300 -0.034 0.000 2.799 51 W HA 0.376 5.140 4.660 0.029 -0.087 0.349 51 W C -0.527 175.997 176.519 0.009 0.000 1.100 51 W CA -0.877 56.472 57.345 0.007 0.000 1.174 51 W CB 4.034 33.503 29.460 0.015 0.000 1.427 51 W HN 1.023 9.376 8.180 0.288 0.000 0.547 52 T N 4.768 119.496 114.554 0.290 0.000 2.842 52 T HA 0.583 5.154 4.350 0.129 -0.144 0.308 52 T C -0.764 174.088 174.700 0.252 0.000 1.041 52 T CA -0.291 61.920 62.100 0.186 0.000 0.964 52 T CB 1.028 69.961 68.868 0.108 0.000 0.972 52 T HN 1.005 9.452 8.240 0.346 0.000 0.460 53 G N 5.101 113.997 108.800 0.160 0.000 2.343 53 G HA2 0.671 4.826 3.960 0.325 0.000 0.319 53 G HA3 0.671 4.649 3.960 0.030 0.000 0.319 53 G C -3.015 171.940 174.900 0.092 0.000 1.126 53 G CA -1.530 43.660 45.100 0.150 0.000 0.889 53 G HN 0.970 9.210 8.290 0.085 0.101 0.457 54 M N 6.188 125.877 119.600 0.149 0.000 2.181 54 M HA 0.746 5.457 4.480 0.092 -0.176 0.323 54 M C -2.185 174.188 176.300 0.122 0.000 1.004 54 M CA -0.784 54.587 55.300 0.118 0.000 0.941 54 M CB 3.714 36.384 32.600 0.117 0.000 1.579 54 M HN 0.814 9.247 8.290 0.238 0.000 0.427 55 I N 6.051 126.693 120.570 0.121 0.000 2.355 55 I HA 0.358 4.595 4.170 0.110 0.000 0.288 55 I C -1.463 174.761 176.117 0.178 0.000 0.999 55 I CA -1.300 60.079 61.300 0.131 0.000 1.163 55 I CB 1.500 39.562 38.000 0.103 0.000 1.316 55 I HN 0.919 9.212 8.210 0.137 0.000 0.454 56 I N 4.541 125.193 120.570 0.136 0.000 2.352 56 I HA 0.502 4.882 4.170 0.126 -0.134 0.290 56 I C 0.691 176.898 176.117 0.150 0.000 1.036 56 I CA -1.490 59.886 61.300 0.127 0.000 1.336 56 I CB -0.018 38.036 38.000 0.090 0.000 1.407 56 I HN 0.565 8.846 8.210 0.117 0.000 0.497 57 G N 5.160 114.079 108.800 0.199 0.000 2.340 57 G HA2 0.066 4.162 3.960 0.227 0.000 0.245 57 G HA3 0.066 4.438 3.960 0.334 -0.212 0.245 57 G C -1.910 173.093 174.900 0.172 0.000 1.294 57 G CA -1.517 43.729 45.100 0.243 0.000 0.896 57 G HN 0.946 9.240 8.290 0.186 0.108 0.522 58 P HA 0.263 4.738 4.420 0.092 0.000 0.271 58 P C -2.159 175.211 177.300 0.116 0.000 1.216 58 P CA -1.737 61.431 63.100 0.114 0.000 0.776 58 P CB -0.275 31.484 31.700 0.098 0.000 0.881 59 P HA -0.095 4.430 4.420 0.067 -0.065 0.271 59 P C -0.698 176.639 177.300 0.062 0.000 1.233 59 P CA 0.647 63.786 63.100 0.066 0.000 0.789 59 P CB 0.099 31.828 31.700 0.048 0.000 0.951 60 R N -5.373 115.156 120.500 0.047 0.000 3.878 60 R HA -0.392 3.964 4.340 0.026 0.000 0.330 60 R C -1.302 175.024 176.300 0.043 0.000 1.186 60 R CA 1.250 57.372 56.100 0.037 0.000 0.885 60 R CB -2.683 27.638 30.300 0.034 0.000 1.377 60 R HN 0.940 9.702 8.270 0.041 -0.467 0.523 61 T N -8.281 106.307 114.554 0.056 0.000 2.804 61 T HA 0.251 4.620 4.350 0.032 0.000 0.290 61 T C 0.340 175.030 174.700 -0.016 0.000 1.099 61 T CA -2.393 59.741 62.100 0.056 0.000 1.011 61 T CB 2.864 71.832 68.868 0.166 0.000 1.291 61 T HN -0.862 7.378 8.240 0.063 0.038 0.523 62 N N 0.378 118.983 118.700 -0.158 0.000 2.571 62 N HA -0.022 4.605 4.740 -0.188 0.000 0.189 62 N C -0.194 175.079 175.510 -0.396 0.000 1.154 62 N CA 1.583 54.431 53.050 -0.337 0.000 0.907 62 N CB 0.098 38.278 38.487 -0.511 0.000 0.977 62 N HN 0.437 8.729 8.380 -0.146 0.000 0.449 63 Y N -4.795 115.566 120.300 0.101 0.000 2.531 63 Y HA 0.099 4.777 4.550 0.213 0.000 0.249 63 Y C -1.118 174.852 175.900 0.117 0.000 1.168 63 Y CA -1.908 56.296 58.100 0.173 0.000 1.226 63 Y CB -0.161 38.442 38.460 0.237 0.000 1.177 63 Y HN -0.599 7.631 8.280 0.058 0.085 0.527 64 E N 1.473 121.769 120.200 0.160 0.000 2.585 64 E HA -0.464 4.026 4.350 0.125 -0.065 0.252 64 E C 0.076 176.723 176.600 0.078 0.000 0.981 64 E CA 1.809 58.273 56.400 0.107 0.000 0.943 64 E CB -0.489 29.246 29.700 0.059 0.000 0.923 64 E HN -0.903 7.342 8.360 0.099 0.174 0.486 65 N N 3.972 122.717 118.700 0.075 0.000 2.961 65 N HA -0.367 4.400 4.740 0.044 0.000 0.223 65 N C -0.307 175.216 175.510 0.022 0.000 0.866 65 N CA 2.295 55.370 53.050 0.043 0.000 1.030 65 N CB -0.182 38.319 38.487 0.023 0.000 1.037 65 N HN 0.065 8.500 8.380 0.091 0.000 0.608 66 R N -1.716 118.802 120.500 0.030 0.000 2.590 66 R HA -0.050 4.219 4.340 -0.119 0.000 0.274 66 R C -1.317 174.915 176.300 -0.113 0.000 1.061 66 R CA 0.591 56.639 56.100 -0.086 0.000 1.081 66 R CB 0.965 31.195 30.300 -0.116 0.000 0.984 66 R HN -0.403 7.697 8.270 0.088 0.223 0.448 67 I N 3.523 123.963 120.570 -0.216 0.000 2.354 67 I HA 0.108 4.273 4.170 -0.008 0.000 0.286 67 I C -1.412 174.588 176.117 -0.195 0.000 1.007 67 I CA -0.658 60.574 61.300 -0.114 0.000 1.167 67 I CB 0.496 38.466 38.000 -0.049 0.000 1.320 67 I HN 0.268 8.323 8.210 -0.258 0.000 0.458 68 Y N 7.645 128.014 120.300 0.115 0.000 2.331 68 Y HA 0.224 4.875 4.550 0.168 0.000 0.338 68 Y C -0.385 175.565 175.900 0.083 0.000 0.976 68 Y CA -1.400 56.792 58.100 0.154 0.000 1.137 68 Y CB 1.820 40.438 38.460 0.263 0.000 1.172 68 Y HN 0.515 8.923 8.280 0.213 0.000 0.478 69 S N 3.763 119.596 115.700 0.222 0.000 2.480 69 S HA 0.504 5.139 4.470 0.082 -0.116 0.286 69 S C -1.145 173.472 174.600 0.028 0.000 1.180 69 S CA -0.463 57.802 58.200 0.108 0.000 1.075 69 S CB 1.048 64.305 63.200 0.095 0.000 0.996 69 S HN 0.721 9.187 8.310 0.258 0.000 0.487 70 L N 4.143 125.319 121.223 -0.079 0.000 2.354 70 L HA 0.588 4.897 4.340 -0.244 -0.115 0.269 70 L C -1.269 175.549 176.870 -0.087 0.000 1.005 70 L CA -0.651 54.058 54.840 -0.219 0.000 0.819 70 L CB 4.157 45.949 42.059 -0.446 0.000 1.311 70 L HN 1.188 9.298 8.230 -0.030 0.102 0.423 71 K N 2.519 122.870 120.400 -0.081 0.000 2.367 71 K HA 0.504 4.997 4.320 0.017 -0.162 0.263 71 K C -1.323 175.252 176.600 -0.042 0.000 1.000 71 K CA -1.000 55.274 56.287 -0.021 0.000 0.891 71 K CB 1.478 33.978 32.500 0.001 0.000 1.117 71 K HN 0.788 8.968 8.250 -0.118 0.000 0.443 72 V N 6.547 126.458 119.914 -0.004 0.000 2.398 72 V HA 0.634 4.913 4.120 -0.097 -0.217 0.286 72 V C -1.079 175.021 176.094 0.010 0.000 1.026 72 V CA -1.166 61.105 62.300 -0.048 0.000 0.868 72 V CB 1.768 33.522 31.823 -0.116 0.000 0.982 72 V HN 0.191 8.419 8.190 0.064 0.000 0.443 73 E N 6.905 127.070 120.200 -0.057 0.000 2.155 73 E HA 0.925 5.565 4.350 0.039 -0.266 0.264 73 E C -0.546 175.975 176.600 -0.133 0.000 0.886 73 E CA -1.965 54.412 56.400 -0.039 0.000 0.752 73 E CB 2.682 32.362 29.700 -0.034 0.000 1.133 73 E HN 0.925 9.115 8.360 -0.098 0.111 0.414 74 C N 4.634 123.838 119.300 -0.160 0.000 2.239 74 C HA 0.250 4.497 4.460 -0.355 0.000 0.325 74 C C 0.183 175.110 174.990 -0.105 0.000 1.231 74 C CA -0.538 58.286 59.018 -0.324 0.000 1.652 74 C CB 1.069 28.338 27.740 -0.785 0.000 2.284 74 C HN 0.416 8.624 8.230 -0.037 0.000 0.499 75 G N 3.904 112.678 108.800 -0.044 0.000 2.516 75 G HA2 0.190 4.156 3.960 0.010 0.000 0.276 75 G HA3 0.190 4.154 3.960 0.007 0.000 0.276 75 G C -1.580 173.365 174.900 0.076 0.000 1.390 75 G CA -1.242 43.867 45.100 0.015 0.000 1.050 75 G HN 0.485 8.736 8.290 -0.066 0.000 0.519 76 P HA -0.006 4.473 4.420 0.098 0.000 0.233 76 P C -0.425 176.933 177.300 0.097 0.000 1.167 76 P CA 1.180 64.329 63.100 0.083 0.000 0.770 76 P CB 0.486 32.218 31.700 0.055 0.000 0.837 77 K N -5.834 114.622 120.400 0.094 0.000 2.426 77 K HA -0.042 4.322 4.320 0.074 0.000 0.193 77 K C -0.115 176.565 176.600 0.132 0.000 1.028 77 K CA -0.332 56.007 56.287 0.087 0.000 1.047 77 K CB -0.179 32.351 32.500 0.050 0.000 0.821 77 K HN -0.267 7.971 8.250 0.079 0.059 0.513 78 Y N 3.147 123.466 120.300 0.031 0.000 2.411 78 Y HA -0.137 4.460 4.550 0.078 0.000 0.333 78 Y C -1.745 174.220 175.900 0.108 0.000 1.186 78 Y CA -0.720 57.420 58.100 0.067 0.000 1.381 78 Y CB 1.117 39.602 38.460 0.043 0.000 1.273 78 Y HN -0.824 7.439 8.280 0.257 0.172 0.546 79 P HA 0.219 3.708 4.420 -1.551 0.000 0.263 79 P C -0.459 176.844 177.300 0.006 0.000 1.448 79 P CA -0.230 62.464 63.100 -0.677 0.000 0.983 79 P CB 1.011 32.272 31.700 -0.732 0.000 1.481 80 E N 0.838 121.074 120.200 0.059 0.000 2.107 80 E HA -0.218 4.198 4.350 0.111 0.000 0.191 80 E C -0.063 176.680 176.600 0.239 0.000 0.982 80 E CA 1.740 58.218 56.400 0.129 0.000 0.809 80 E CB -0.157 29.583 29.700 0.067 0.000 0.756 80 E HN -0.144 8.145 8.360 0.025 0.087 0.459 81 A N -0.149 122.745 122.820 0.125 0.000 2.311 81 A HA 0.412 4.771 4.320 0.064 0.000 0.334 81 A C -2.722 174.610 177.584 -0.420 0.000 1.139 81 A CA -2.522 49.505 52.037 -0.017 0.000 0.830 81 A CB 0.335 19.325 19.000 -0.017 0.000 1.234 81 A HN -0.319 7.778 8.150 0.096 0.110 0.483 82 P HA 0.205 3.099 4.420 -2.544 0.000 0.271 82 P C -1.722 175.206 177.300 -0.620 0.000 1.216 82 P CA -1.145 61.248 63.100 -1.179 0.000 0.776 82 P CB -0.625 30.716 31.700 -0.598 0.000 0.881 83 P HA 0.109 4.378 4.420 -0.253 0.000 0.282 83 P C -1.149 175.991 177.300 -0.266 0.000 1.287 83 P CA -1.342 61.547 63.100 -0.351 0.000 0.792 83 P CB 1.239 32.700 31.700 -0.397 0.000 1.163 84 S N 0.098 115.684 115.700 -0.191 0.000 2.438 84 S HA 0.199 4.589 4.470 -0.132 0.000 0.293 84 S C -1.199 173.324 174.600 -0.128 0.000 1.141 84 S CA -0.100 58.019 58.200 -0.136 0.000 1.080 84 S CB 0.979 64.122 63.200 -0.095 0.000 0.978 84 S HN 0.409 8.500 8.310 -0.187 0.107 0.479 85 V N 5.421 125.267 119.914 -0.113 0.000 2.531 85 V HA 0.550 4.762 4.120 -0.124 -0.166 0.301 85 V C -1.163 174.892 176.094 -0.066 0.000 1.034 85 V CA -1.208 61.026 62.300 -0.111 0.000 0.865 85 V CB 2.108 33.856 31.823 -0.125 0.000 0.995 85 V HN 0.683 8.812 8.190 -0.102 0.000 0.424 86 R N 2.905 123.362 120.500 -0.072 0.000 2.651 86 R HA 0.518 4.978 4.340 0.055 -0.087 0.278 86 R C -2.067 174.231 176.300 -0.003 0.000 1.010 86 R CA -1.879 54.217 56.100 -0.007 0.000 0.896 86 R CB 3.640 33.924 30.300 -0.026 0.000 1.211 86 R HN 0.309 8.515 8.270 -0.105 0.000 0.456 87 F N 0.119 120.053 119.950 -0.027 0.000 2.375 87 F HA 0.260 4.849 4.527 0.103 0.000 0.333 87 F C 0.487 176.431 175.800 0.239 0.000 1.104 87 F CA 0.700 58.767 58.000 0.111 0.000 1.149 87 F CB 1.416 40.527 39.000 0.185 0.000 1.190 87 F HN 0.646 9.031 8.300 0.318 0.106 0.533 88 V N 1.891 122.047 119.914 0.404 0.000 2.436 88 V HA -0.131 4.195 4.120 0.343 0.000 0.240 88 V C 0.363 176.684 176.094 0.377 0.000 1.040 88 V CA 1.970 64.477 62.300 0.345 0.000 1.052 88 V CB 0.876 32.811 31.823 0.186 0.000 0.707 88 V HN 0.871 9.252 8.190 0.318 0.000 0.469 89 T N 0.568 115.344 114.554 0.370 0.000 2.884 89 T HA -0.082 4.437 4.350 0.083 -0.119 0.298 89 T C -0.689 174.109 174.700 0.164 0.000 0.998 89 T CA 0.412 62.654 62.100 0.238 0.000 1.124 89 T CB 0.697 69.727 68.868 0.270 0.000 0.931 89 T HN -0.869 7.626 8.240 0.426 0.000 0.531 90 K N 5.222 125.476 120.400 -0.245 0.000 2.447 90 K HA -0.254 3.231 4.320 -1.391 0.000 0.281 90 K C -1.588 175.021 176.600 0.015 0.000 1.031 90 K CA 1.239 57.204 56.287 -0.537 0.000 1.019 90 K CB 0.213 32.417 32.500 -0.494 0.000 0.918 90 K HN 0.382 8.399 8.250 -0.207 0.109 0.476 91 I N 2.994 123.598 120.570 0.056 0.000 2.656 91 I HA 0.275 4.636 4.170 0.141 -0.107 0.292 91 I C -2.072 174.031 176.117 -0.024 0.000 1.144 91 I CA -1.816 59.492 61.300 0.014 0.000 1.038 91 I CB 4.078 41.849 38.000 -0.382 0.000 1.244 91 I HN 0.269 8.569 8.210 0.151 0.000 0.420 92 N N 9.176 127.883 118.700 0.013 0.000 2.918 92 N HA 0.209 4.948 4.740 -0.003 0.000 0.247 92 N C -1.943 173.563 175.510 -0.006 0.000 1.117 92 N CA -0.423 52.628 53.050 0.002 0.000 1.005 92 N CB -0.871 37.623 38.487 0.012 0.000 1.297 92 N HN 0.449 9.311 8.380 0.064 -0.443 0.513 93 M N 2.845 122.392 119.600 -0.089 0.000 2.464 93 M HA 0.166 4.733 4.480 -0.012 -0.094 0.308 93 M C -1.916 174.328 176.300 -0.094 0.000 1.127 93 M CA -0.728 54.512 55.300 -0.099 0.000 0.913 93 M CB 4.166 36.616 32.600 -0.249 0.000 1.689 93 M HN -0.650 7.560 8.290 -0.134 0.000 0.445 94 N N 4.939 123.607 118.700 -0.055 0.000 2.417 94 N HA -0.232 4.486 4.740 -0.036 0.000 0.272 94 N C 0.136 175.613 175.510 -0.055 0.000 1.304 94 N CA 1.819 54.843 53.050 -0.043 0.000 0.906 94 N CB -0.178 38.295 38.487 -0.024 0.000 1.135 94 N HN 0.436 9.223 8.380 -0.033 -0.427 0.483 95 G N 3.349 112.117 108.800 -0.053 0.000 2.255 95 G HA2 -0.276 3.664 3.960 -0.034 0.000 0.196 95 G HA3 -0.276 3.660 3.960 -0.041 0.000 0.196 95 G C -1.393 173.471 174.900 -0.061 0.000 0.998 95 G CA -0.302 44.771 45.100 -0.046 0.000 0.656 95 G HN -0.140 8.121 8.290 -0.048 0.000 0.490 96 I N 0.313 120.824 120.570 -0.099 0.000 2.412 96 I HA 0.340 4.613 4.170 -0.093 -0.159 0.296 96 I C -0.792 175.263 176.117 -0.102 0.000 0.987 96 I CA -1.354 59.870 61.300 -0.128 0.000 1.180 96 I CB 1.528 39.364 38.000 -0.272 0.000 1.340 96 I HN -0.299 7.789 8.210 -0.105 0.058 0.455 97 N N 6.405 125.035 118.700 -0.118 0.000 2.513 97 N HA -0.082 4.623 4.740 -0.059 0.000 0.268 97 N C 0.192 175.648 175.510 -0.090 0.000 1.180 97 N CA 0.279 53.270 53.050 -0.099 0.000 0.948 97 N CB 2.252 40.672 38.487 -0.111 0.000 1.083 97 N HN 0.172 8.475 8.380 -0.130 0.000 0.455 98 N N 3.711 122.417 118.700 0.009 0.000 2.494 98 N HA -0.173 4.714 4.740 0.244 0.000 0.182 98 N C 0.022 175.647 175.510 0.192 0.000 1.076 98 N CA 1.507 54.638 53.050 0.134 0.000 0.908 98 N CB -0.437 38.102 38.487 0.088 0.000 0.967 98 N HN 0.441 8.821 8.380 -0.000 0.000 0.449 99 S N -0.140 115.599 115.700 0.065 0.000 2.541 99 S HA 0.169 4.731 4.470 0.153 0.000 0.219 99 S C 0.472 175.088 174.600 0.026 0.000 1.025 99 S CA 1.723 59.972 58.200 0.081 0.000 0.917 99 S CB 1.671 64.892 63.200 0.034 0.000 0.859 99 S HN -0.099 8.480 8.310 -0.003 -0.271 0.584 100 S N -1.725 113.908 115.700 -0.112 0.000 2.406 100 S HA -0.085 4.339 4.470 -0.075 0.000 0.224 100 S C 1.043 175.349 174.600 -0.489 0.000 1.030 100 S CA 1.462 59.559 58.200 -0.172 0.000 0.958 100 S CB 1.255 64.385 63.200 -0.116 0.000 0.811 100 S HN -0.003 8.618 8.310 -0.099 -0.371 0.489 101 G N 1.404 109.742 108.800 -0.769 0.000 2.157 101 G HA2 -0.281 3.047 3.960 -1.335 0.000 0.239 101 G HA3 -0.281 2.503 3.960 -1.960 0.000 0.239 101 G C -0.988 173.678 174.900 -0.390 0.000 0.982 101 G CA -0.134 44.233 45.100 -1.221 0.000 0.650 101 G HN -0.278 7.714 8.290 -0.496 0.000 0.527 102 M N 1.178 120.639 119.600 -0.231 0.000 2.243 102 M HA -0.071 4.380 4.480 -0.050 0.000 0.341 102 M C -1.128 175.147 176.300 -0.043 0.000 1.130 102 M CA 1.184 56.430 55.300 -0.090 0.000 1.162 102 M CB 1.580 34.131 32.600 -0.081 0.000 1.497 102 M HN -0.964 7.116 8.290 -0.255 0.056 0.456 103 V N 4.643 124.566 119.914 0.015 0.000 2.465 103 V HA 0.037 4.302 4.120 0.018 -0.134 0.279 103 V C -0.632 175.455 176.094 -0.012 0.000 1.045 103 V CA -0.334 61.984 62.300 0.029 0.000 0.938 103 V CB 0.648 32.524 31.823 0.089 0.000 0.986 103 V HN 0.263 8.462 8.190 0.015 0.000 0.467 104 D N 6.111 126.501 120.400 -0.017 0.000 2.339 104 D HA 0.068 4.693 4.640 -0.025 0.000 0.241 104 D C 0.312 176.604 176.300 -0.013 0.000 1.183 104 D CA -0.789 53.199 54.000 -0.020 0.000 0.859 104 D CB 1.486 42.273 40.800 -0.022 0.000 1.067 104 D HN 0.550 8.799 8.370 -0.019 0.110 0.484 105 A N 7.603 130.413 122.820 -0.017 0.000 1.940 105 A HA -0.293 4.024 4.320 -0.005 0.000 0.219 105 A C 1.562 179.152 177.584 0.010 0.000 1.176 105 A CA 3.220 55.253 52.037 -0.007 0.000 0.631 105 A CB -0.244 18.744 19.000 -0.020 0.000 0.814 105 A HN 0.698 8.833 8.150 -0.025 0.000 0.446 106 R N -4.128 116.375 120.500 0.005 0.000 2.193 106 R HA -0.212 4.140 4.340 0.020 0.000 0.229 106 R C 0.255 176.560 176.300 0.009 0.000 1.110 106 R CA 2.062 58.169 56.100 0.010 0.000 0.988 106 R CB -0.454 29.849 30.300 0.004 0.000 0.871 106 R HN 0.096 8.388 8.270 -0.003 -0.023 0.458 107 S N -2.876 112.825 115.700 0.002 0.000 2.556 107 S HA 0.075 4.545 4.470 -0.000 0.000 0.216 107 S C -0.371 174.227 174.600 -0.002 0.000 0.970 107 S CA 0.555 58.754 58.200 -0.002 0.000 0.912 107 S CB 0.998 64.191 63.200 -0.011 0.000 0.790 107 S HN -0.483 7.751 8.310 -0.002 0.075 0.504 108 I N 2.358 122.931 120.570 0.005 0.000 2.382 108 I HA 0.435 4.600 4.170 -0.007 0.000 0.286 108 I C -2.127 173.999 176.117 0.016 0.000 1.002 108 I CA -4.147 57.155 61.300 0.003 0.000 1.135 108 I CB 0.199 38.200 38.000 0.002 0.000 1.288 108 I HN -0.545 7.477 8.210 0.011 0.194 0.448 109 P HA -0.225 4.214 4.420 0.032 0.000 0.215 109 P C 1.064 178.386 177.300 0.036 0.000 1.163 109 P CA 3.332 66.442 63.100 0.016 0.000 0.894 109 P CB -0.100 31.595 31.700 -0.008 0.000 0.791 110 V N -9.388 110.501 119.914 -0.042 0.000 2.970 110 V HA -0.205 3.844 4.120 -0.119 0.000 0.260 110 V C 0.636 176.858 176.094 0.213 0.000 1.100 110 V CA 2.922 65.141 62.300 -0.134 0.000 1.122 110 V CB -0.484 31.033 31.823 -0.510 0.000 0.721 110 V HN -0.112 8.035 8.190 -0.073 0.000 0.483 111 L N -1.269 120.064 121.223 0.184 0.000 2.253 111 L HA -0.083 4.493 4.340 0.394 0.000 0.205 111 L C 2.251 179.237 176.870 0.192 0.000 1.078 111 L CA 1.613 56.585 54.840 0.221 0.000 0.805 111 L CB -0.202 41.897 42.059 0.065 0.000 0.963 111 L HN -0.474 7.649 8.230 0.087 0.159 0.459 112 A N 0.069 122.968 122.820 0.132 0.000 1.858 112 A HA -0.174 4.196 4.320 0.083 0.000 0.216 112 A C 1.357 179.028 177.584 0.145 0.000 1.190 112 A CA 2.790 54.891 52.037 0.105 0.000 0.617 112 A CB -0.059 18.981 19.000 0.067 0.000 0.827 112 A HN 0.445 8.549 8.150 0.104 0.108 0.443 113 K N -2.804 117.699 120.400 0.172 0.000 3.016 113 K HA 0.187 4.593 4.320 0.142 0.000 0.226 113 K C -1.790 174.975 176.600 0.276 0.000 1.245 113 K CA -1.815 54.575 56.287 0.172 0.000 1.174 113 K CB -1.147 31.422 32.500 0.114 0.000 1.572 113 K HN -0.505 7.843 8.250 0.164 0.000 0.462 114 W N 1.809 123.190 121.300 0.136 0.000 2.216 114 W HA -0.190 4.891 4.660 0.457 -0.146 0.326 114 W C -0.727 175.825 176.519 0.054 0.000 1.319 114 W CA 0.780 58.250 57.345 0.208 0.000 1.213 114 W CB 1.136 30.674 29.460 0.130 0.000 1.171 114 W HN -0.742 7.620 8.180 0.406 0.061 0.557 115 Q N 4.103 123.442 119.800 -0.768 0.000 2.387 115 Q HA 0.223 4.337 4.340 -0.377 0.000 0.273 115 Q C 0.056 175.497 176.000 -0.932 0.000 1.089 115 Q CA -1.521 53.825 55.803 -0.761 0.000 0.824 115 Q CB 4.134 32.346 28.738 -0.876 0.000 1.367 115 Q HN -0.252 7.432 8.270 -0.977 0.000 0.443 116 N N 2.672 121.097 118.700 -0.458 0.000 2.520 116 N HA -0.245 4.626 4.740 -0.223 -0.264 0.185 116 N C 0.996 176.283 175.510 -0.371 0.000 1.068 116 N CA 1.831 54.697 53.050 -0.308 0.000 0.911 116 N CB -0.591 37.808 38.487 -0.147 0.000 0.961 116 N HN 0.524 8.712 8.380 -0.320 0.000 0.446 117 S N -2.085 113.319 115.700 -0.493 0.000 2.562 117 S HA -0.116 4.198 4.470 -0.261 0.000 0.221 117 S C -0.129 174.239 174.600 -0.386 0.000 0.975 117 S CA 1.159 59.120 58.200 -0.398 0.000 0.918 117 S CB -0.127 62.832 63.200 -0.401 0.000 0.772 117 S HN -0.181 7.695 8.310 -0.604 0.072 0.531 118 Y N 2.456 122.386 120.300 -0.615 0.000 2.282 118 Y HA -0.050 4.231 4.550 -0.448 0.000 0.335 118 Y C -1.234 174.421 175.900 -0.408 0.000 1.335 118 Y CA -0.504 57.185 58.100 -0.685 0.000 1.529 118 Y CB 0.888 38.522 38.460 -1.377 0.000 1.429 118 Y HN -0.360 7.223 8.280 -0.858 0.182 0.563 119 S N -5.693 110.015 115.700 0.013 0.000 2.661 119 S HA 0.430 5.139 4.470 0.399 0.000 0.268 119 S C 0.496 175.176 174.600 0.133 0.000 1.162 119 S CA -1.449 56.859 58.200 0.179 0.000 0.817 119 S CB 3.039 66.263 63.200 0.039 0.000 1.141 119 S HN -0.288 7.995 8.310 -0.045 0.000 0.477 120 I N 2.283 122.822 120.570 -0.051 0.000 2.286 120 I HA -0.497 3.554 4.170 -0.199 0.000 0.248 120 I C 1.182 176.947 176.117 -0.587 0.000 1.115 120 I CA 4.004 65.092 61.300 -0.353 0.000 1.392 120 I CB -0.107 37.498 38.000 -0.658 0.000 1.065 120 I HN 0.627 9.326 8.210 -0.038 -0.512 0.418 121 K N -0.002 120.004 120.400 -0.657 0.000 2.063 121 K HA -0.362 3.070 4.320 -1.479 0.000 0.208 121 K C 2.148 178.500 176.600 -0.413 0.000 1.048 121 K CA 3.975 59.800 56.287 -0.770 0.000 0.928 121 K CB -0.213 32.107 32.500 -0.301 0.000 0.713 121 K HN -0.126 8.163 8.250 -0.454 -0.311 0.442 122 V N -0.995 118.764 119.914 -0.258 0.000 2.358 122 V HA -0.423 3.583 4.120 -0.189 0.000 0.246 122 V C 1.772 177.718 176.094 -0.248 0.000 1.047 122 V CA 3.941 66.104 62.300 -0.229 0.000 1.035 122 V CB -0.027 31.639 31.823 -0.262 0.000 0.658 122 V HN -0.703 7.258 8.190 -0.211 0.102 0.452 123 V N 0.157 119.944 119.914 -0.211 0.000 2.287 123 V HA -0.603 3.430 4.120 -0.144 0.000 0.248 123 V C 1.815 177.792 176.094 -0.195 0.000 1.053 123 V CA 4.616 66.818 62.300 -0.163 0.000 1.027 123 V CB -0.385 31.376 31.823 -0.104 0.000 0.646 123 V HN -0.649 7.354 8.190 -0.181 0.078 0.447 124 L N -2.107 118.950 121.223 -0.276 0.000 2.046 124 L HA -0.468 3.746 4.340 -0.210 0.000 0.208 124 L C 2.362 179.135 176.870 -0.162 0.000 1.077 124 L CA 3.233 57.925 54.840 -0.246 0.000 0.747 124 L CB -0.751 41.100 42.059 -0.348 0.000 0.896 124 L HN -0.006 8.005 8.230 -0.365 0.000 0.432 125 Q N -2.196 117.503 119.800 -0.168 0.000 2.119 125 Q HA -0.393 3.906 4.340 -0.068 0.000 0.201 125 Q C 2.585 178.529 176.000 -0.092 0.000 0.972 125 Q CA 3.316 59.057 55.803 -0.102 0.000 0.847 125 Q CB -0.166 28.518 28.738 -0.091 0.000 0.903 125 Q HN -0.284 7.850 8.270 -0.226 0.000 0.433 126 E N 1.156 121.284 120.200 -0.120 0.000 2.047 126 E HA -0.245 4.050 4.350 -0.092 0.000 0.191 126 E C 2.300 178.853 176.600 -0.078 0.000 0.987 126 E CA 2.529 58.865 56.400 -0.106 0.000 0.799 126 E CB -0.433 29.182 29.700 -0.143 0.000 0.752 126 E HN -0.095 8.095 8.360 -0.153 0.079 0.449 127 L N -1.491 119.688 121.223 -0.074 0.000 2.046 127 L HA -0.453 3.867 4.340 -0.033 0.000 0.208 127 L C 2.184 179.018 176.870 -0.060 0.000 1.077 127 L CA 3.430 58.246 54.840 -0.041 0.000 0.747 127 L CB -0.397 41.662 42.059 -0.000 0.000 0.896 127 L HN 0.230 8.403 8.230 -0.095 0.000 0.432 128 R N -1.514 118.949 120.500 -0.062 0.000 2.096 128 R HA -0.341 3.942 4.340 -0.095 0.000 0.235 128 R C 2.394 178.657 176.300 -0.062 0.000 1.127 128 R CA 2.997 59.059 56.100 -0.065 0.000 0.968 128 R CB -0.204 30.078 30.300 -0.030 0.000 0.861 128 R HN -0.258 7.974 8.270 -0.064 0.000 0.440 129 R N -1.092 119.379 120.500 -0.049 0.000 2.075 129 R HA -0.228 4.099 4.340 -0.022 0.000 0.232 129 R C 2.826 179.103 176.300 -0.037 0.000 1.126 129 R CA 2.859 58.938 56.100 -0.035 0.000 0.963 129 R CB -0.248 30.031 30.300 -0.034 0.000 0.858 129 R HN -0.449 7.693 8.270 -0.053 0.096 0.435 130 L N -1.358 119.834 121.223 -0.052 0.000 2.201 130 L HA -0.284 4.037 4.340 -0.031 0.000 0.212 130 L C 2.229 179.060 176.870 -0.065 0.000 1.105 130 L CA 2.608 57.419 54.840 -0.049 0.000 0.775 130 L CB -0.125 41.903 42.059 -0.052 0.000 0.913 130 L HN -0.038 8.077 8.230 -0.057 0.081 0.440 131 M N -2.457 117.065 119.600 -0.129 0.000 2.296 131 M HA -0.354 3.977 4.480 -0.248 0.000 0.265 131 M C 0.515 176.802 176.300 -0.022 0.000 1.064 131 M CA 3.504 58.660 55.300 -0.241 0.000 1.109 131 M CB 0.204 32.477 32.600 -0.545 0.000 1.396 131 M HN -0.298 7.784 8.290 -0.129 0.130 0.430 132 M N -4.876 114.725 119.600 0.002 0.000 2.495 132 M HA -0.037 4.514 4.480 0.118 0.000 0.237 132 M C -0.438 175.892 176.300 0.050 0.000 1.131 132 M CA -0.184 55.152 55.300 0.060 0.000 1.032 132 M CB 0.056 32.680 32.600 0.041 0.000 1.513 132 M HN -0.863 7.265 8.290 -0.033 0.142 0.488 133 S N 0.869 116.589 115.700 0.033 0.000 2.585 133 S HA -0.035 4.447 4.470 0.021 0.000 0.273 133 S C 0.465 175.088 174.600 0.038 0.000 1.339 133 S CA 0.663 58.878 58.200 0.026 0.000 1.028 133 S CB 1.654 64.859 63.200 0.009 0.000 0.906 133 S HN -0.564 7.542 8.310 0.020 0.216 0.528 134 K N 4.826 125.242 120.400 0.027 0.000 2.160 134 K HA -0.258 4.079 4.320 0.030 0.000 0.206 134 K C 0.701 177.316 176.600 0.026 0.000 1.047 134 K CA 2.456 58.759 56.287 0.025 0.000 0.930 134 K CB -0.178 32.332 32.500 0.016 0.000 0.720 134 K HN 0.574 8.836 8.250 0.020 0.000 0.450 135 E N -4.932 115.281 120.200 0.022 0.000 2.476 135 E HA -0.093 4.267 4.350 0.016 0.000 0.191 135 E C 0.422 177.041 176.600 0.032 0.000 1.064 135 E CA 0.977 57.388 56.400 0.019 0.000 0.866 135 E CB -0.660 29.046 29.700 0.010 0.000 0.952 135 E HN 0.095 8.445 8.360 0.019 0.021 0.492 136 N N -1.420 117.315 118.700 0.059 0.000 2.372 136 N HA 0.209 5.005 4.740 0.094 0.000 0.242 136 N C 1.580 177.216 175.510 0.209 0.000 1.124 136 N CA 1.130 54.249 53.050 0.115 0.000 0.824 136 N CB 3.458 41.997 38.487 0.087 0.000 1.468 136 N HN -0.184 8.034 8.380 0.058 0.197 0.470 137 M N -0.751 118.955 119.600 0.177 0.000 2.446 137 M HA -0.060 4.713 4.480 0.368 -0.073 0.263 137 M C -0.405 175.912 176.300 0.029 0.000 1.066 137 M CA 4.160 59.567 55.300 0.178 0.000 1.087 137 M CB 0.438 33.113 32.600 0.125 0.000 1.406 137 M HN 0.279 8.534 8.290 0.121 0.107 0.459 138 K N -2.087 118.320 120.400 0.011 0.000 3.045 138 K HA 0.227 4.514 4.320 -0.056 0.000 0.211 138 K C -1.299 175.278 176.600 -0.038 0.000 1.141 138 K CA -1.403 54.867 56.287 -0.028 0.000 1.036 138 K CB -0.662 31.832 32.500 -0.010 0.000 0.851 138 K HN -0.209 8.012 8.250 0.037 0.052 0.462 139 L N 0.960 122.149 121.223 -0.057 0.000 2.307 139 L HA 0.376 4.698 4.340 -0.030 0.000 0.284 139 L C -2.186 174.632 176.870 -0.086 0.000 1.023 139 L CA -3.186 51.626 54.840 -0.046 0.000 0.810 139 L CB 0.615 42.673 42.059 -0.001 0.000 1.231 139 L HN -0.787 7.333 8.230 -0.079 0.063 0.423 140 P HA -0.063 4.316 4.420 -0.069 0.000 0.261 140 P C -1.688 175.580 177.300 -0.053 0.000 1.203 140 P CA 0.002 63.069 63.100 -0.056 0.000 0.767 140 P CB 0.257 31.937 31.700 -0.033 0.000 0.785 141 Q N 4.758 124.516 119.800 -0.071 0.000 2.230 141 Q HA 0.359 4.694 4.340 -0.009 0.000 0.253 141 Q C -1.542 174.450 176.000 -0.014 0.000 0.919 141 Q CA -2.986 52.797 55.803 -0.034 0.000 0.908 141 Q CB 0.381 29.089 28.738 -0.051 0.000 1.245 141 Q HN 0.028 8.242 8.270 -0.093 0.000 0.437 142 P HA 0.250 4.661 4.420 -0.015 0.000 0.273 142 P C -1.859 175.434 177.300 -0.012 0.000 1.250 142 P CA -1.511 61.582 63.100 -0.011 0.000 0.793 142 P CB -0.979 30.707 31.700 -0.023 0.000 1.011 143 P HA -0.125 4.281 4.420 -0.023 0.000 0.260 143 P C -0.685 176.597 177.300 -0.030 0.000 1.172 143 P CA 0.621 63.706 63.100 -0.025 0.000 0.760 143 P CB 0.136 31.821 31.700 -0.026 0.000 0.773 144 E N 4.622 124.803 120.200 -0.032 0.000 2.415 144 E HA -0.344 3.974 4.350 -0.053 0.000 0.263 144 E C 0.594 177.164 176.600 -0.050 0.000 0.995 144 E CA 1.610 57.981 56.400 -0.048 0.000 0.915 144 E CB 0.202 29.870 29.700 -0.054 0.000 0.951 144 E HN 0.247 8.589 8.360 -0.029 0.000 0.449 145 G N 4.978 113.743 108.800 -0.059 0.000 2.231 145 G HA2 -0.345 3.585 3.960 -0.049 0.000 0.206 145 G HA3 -0.345 3.591 3.960 -0.039 0.000 0.206 145 G C -0.635 174.240 174.900 -0.042 0.000 0.996 145 G CA -0.493 44.578 45.100 -0.047 0.000 0.645 145 G HN 0.413 8.659 8.290 -0.073 0.000 0.498 146 Q N 1.718 121.486 119.800 -0.054 0.000 2.288 146 Q HA 0.110 4.419 4.340 -0.051 0.000 0.254 146 Q C -0.867 175.072 176.000 -0.101 0.000 0.932 146 Q CA -0.059 55.702 55.803 -0.071 0.000 0.902 146 Q CB 1.177 29.864 28.738 -0.085 0.000 1.203 146 Q HN -0.439 7.734 8.270 -0.054 0.065 0.415 147 T N -1.009 113.495 114.554 -0.084 0.000 2.940 147 T HA 0.538 4.955 4.350 -0.095 -0.123 0.288 147 T C -0.450 174.192 174.700 -0.095 0.000 1.033 147 T CA -2.533 59.525 62.100 -0.070 0.000 1.033 147 T CB 2.064 70.945 68.868 0.022 0.000 1.079 147 T HN -0.016 8.190 8.240 -0.056 0.000 0.496 148 Y N 0.180 120.523 120.300 0.073 0.000 2.263 148 Y HA -0.194 4.388 4.550 0.052 0.000 0.292 148 Y C 0.464 176.390 175.900 0.043 0.000 1.130 148 Y CA 3.623 61.758 58.100 0.059 0.000 1.179 148 Y CB 0.386 38.888 38.460 0.070 0.000 0.998 148 Y HN 0.138 8.502 8.280 0.141 0.000 0.532 149 N N -2.920 115.891 118.700 0.185 0.000 2.457 149 N HA 0.195 4.997 4.740 0.102 0.000 0.290 149 N C -1.673 173.879 175.510 0.070 0.000 1.232 149 N CA -0.355 52.762 53.050 0.111 0.000 0.852 149 N CB 2.747 41.294 38.487 0.100 0.000 1.313 149 N HN -0.203 8.294 8.380 0.196 0.000 0.522 150 N N 0.000 118.730 118.700 0.050 0.000 1.763 150 N HA 0.000 4.757 4.740 0.029 0.000 0.220 150 N CA 0.000 53.070 53.050 0.034 0.000 0.885 150 N CB 0.000 38.506 38.487 0.032 0.000 1.341 150 N HN 0.000 8.410 8.380 0.050 0.000 0.667