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 2gf5_1_A DATA FIRST_RESID 1 DATA SEQUENCE SDPFLVLLHS VSSSLSSSEL TELKYLCLGR VGKRKLERVQ SGLDLFSMLL DATA SEQUENCE EQNDLEPGHT ELLRELLASL RRHDLLRRVD DFEAGAAAGA APGEEDLCAA DATA SEQUENCE FNVICDNVGK DWRRLARQLK VSDTKIDSIE DRYPRNLTER VRESLRIWKN DATA SEQUENCE TEKENATVAH LVGALRSCQM NLVADLVQEV QQARDLQNRS G VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 4.485 4.470 0.025 0.000 0.327 1 S C 0.000 174.603 174.600 0.006 0.000 1.055 1 S CA 0.000 58.213 58.200 0.022 0.000 1.107 1 S CB 0.000 63.213 63.200 0.022 0.000 0.593 2 D N 3.730 124.122 120.400 -0.013 0.000 2.185 2 D HA 0.474 5.128 4.640 0.024 0.000 0.247 2 D C -0.612 175.675 176.300 -0.022 0.000 1.027 2 D CA -2.497 51.506 54.000 0.004 0.000 0.861 2 D CB 1.401 42.219 40.800 0.030 0.000 1.202 2 D HN -0.178 8.186 8.370 -0.010 0.000 0.453 3 P HA -0.119 4.288 4.420 -0.020 0.000 0.217 3 P C 0.584 177.865 177.300 -0.031 0.000 1.151 3 P CA 1.850 64.970 63.100 0.033 0.000 0.828 3 P CB 0.340 32.118 31.700 0.130 0.000 0.788 4 F N 0.084 120.021 119.950 -0.022 0.000 2.113 4 F HA -0.281 4.176 4.527 -0.115 0.000 0.297 4 F C 1.183 176.874 175.800 -0.181 0.000 1.103 4 F CA 3.836 61.793 58.000 -0.072 0.000 1.248 4 F CB 0.336 39.340 39.000 0.006 0.000 0.999 4 F HN -0.913 7.539 8.300 0.254 0.000 0.475 5 L N -1.668 119.404 121.223 -0.252 0.000 2.141 5 L HA -0.411 3.686 4.340 -0.405 0.000 0.209 5 L C 2.097 178.427 176.870 -0.900 0.000 1.094 5 L CA 2.684 57.248 54.840 -0.459 0.000 0.763 5 L CB -0.817 41.094 42.059 -0.246 0.000 0.908 5 L HN -0.253 7.996 8.230 0.031 0.000 0.437 6 V N 0.228 119.780 119.914 -0.603 0.000 2.324 6 V HA -0.484 3.373 4.120 -0.438 0.000 0.250 6 V C 2.421 178.248 176.094 -0.445 0.000 1.060 6 V CA 4.349 66.382 62.300 -0.446 0.000 1.042 6 V CB -0.244 31.440 31.823 -0.232 0.000 0.650 6 V HN 0.405 8.344 8.190 -0.418 0.000 0.450 7 L N -0.315 120.562 121.223 -0.578 0.000 2.056 7 L HA -0.345 3.693 4.340 -0.505 0.000 0.207 7 L C 1.351 177.871 176.870 -0.582 0.000 1.078 7 L CA 2.931 57.377 54.840 -0.656 0.000 0.749 7 L CB -0.254 41.208 42.059 -0.996 0.000 0.901 7 L HN -0.716 7.052 8.230 -0.583 0.112 0.433 8 L N -1.995 118.846 121.223 -0.637 0.000 2.042 8 L HA -0.621 3.546 4.340 -0.287 0.000 0.210 8 L C 2.070 178.753 176.870 -0.311 0.000 1.076 8 L CA 3.706 58.327 54.840 -0.366 0.000 0.749 8 L CB -0.556 41.402 42.059 -0.168 0.000 0.893 8 L HN 0.285 8.002 8.230 -0.855 0.000 0.432 9 H N -1.348 117.507 119.070 -0.359 0.000 2.387 9 H HA -0.364 3.930 4.556 -0.436 0.000 0.299 9 H C 2.737 177.865 175.328 -0.333 0.000 1.090 9 H CA 2.921 58.762 56.048 -0.345 0.000 1.332 9 H CB -0.126 29.502 29.762 -0.222 0.000 1.386 9 H HN 0.370 8.271 8.280 -0.454 0.106 0.516 10 S N -0.043 115.545 115.700 -0.186 0.000 2.406 10 S HA -0.085 4.296 4.470 -0.148 0.000 0.228 10 S C 1.630 176.110 174.600 -0.199 0.000 1.020 10 S CA 3.940 62.026 58.200 -0.191 0.000 0.965 10 S CB -0.088 62.988 63.200 -0.206 0.000 0.798 10 S HN 0.021 8.188 8.310 -0.196 0.025 0.488 11 V N -0.560 119.212 119.914 -0.235 0.000 2.488 11 V HA -0.225 3.816 4.120 -0.131 0.000 0.246 11 V C 2.001 177.977 176.094 -0.197 0.000 1.046 11 V CA 3.694 65.889 62.300 -0.175 0.000 1.053 11 V CB -0.618 31.143 31.823 -0.105 0.000 0.679 11 V HN -0.352 7.670 8.190 -0.280 0.000 0.458 12 S N 1.744 117.193 115.700 -0.419 0.000 2.368 12 S HA -0.276 4.017 4.470 -0.296 0.000 0.225 12 S C 1.490 175.958 174.600 -0.221 0.000 1.030 12 S CA 3.389 61.315 58.200 -0.456 0.000 0.999 12 S CB -0.202 62.473 63.200 -0.876 0.000 0.844 12 S HN -0.311 7.661 8.310 -0.564 0.000 0.459 13 S N -1.495 114.087 115.700 -0.196 0.000 2.603 13 S HA -0.032 4.373 4.470 -0.108 0.000 0.229 13 S C 0.713 175.260 174.600 -0.088 0.000 0.972 13 S CA 1.574 59.700 58.200 -0.123 0.000 0.935 13 S CB -0.067 63.066 63.200 -0.111 0.000 0.769 13 S HN -0.124 8.031 8.310 -0.258 0.000 0.536 14 S N 0.584 116.233 115.700 -0.085 0.000 2.575 14 S HA 0.115 4.556 4.470 -0.047 0.000 0.237 14 S C -2.057 172.526 174.600 -0.029 0.000 0.975 14 S CA 0.531 58.699 58.200 -0.054 0.000 0.960 14 S CB 0.610 63.775 63.200 -0.059 0.000 0.822 14 S HN -0.449 7.592 8.310 -0.105 0.206 0.472 15 L N -0.715 120.494 121.223 -0.024 0.000 2.341 15 L HA 0.247 4.594 4.340 0.012 0.000 0.267 15 L C -1.600 175.273 176.870 0.005 0.000 1.009 15 L CA -0.908 53.935 54.840 0.005 0.000 0.819 15 L CB 3.405 45.484 42.059 0.033 0.000 1.323 15 L HN -0.840 7.249 8.230 -0.041 0.116 0.425 16 S N 2.084 117.794 115.700 0.016 0.000 2.713 16 S HA 0.386 4.860 4.470 0.005 0.000 0.277 16 S C 0.381 174.992 174.600 0.019 0.000 1.168 16 S CA -1.033 57.175 58.200 0.013 0.000 0.994 16 S CB 1.320 64.529 63.200 0.015 0.000 1.054 16 S HN -0.003 8.321 8.310 0.024 0.000 0.555 17 S N 0.753 116.463 115.700 0.016 0.000 2.470 17 S HA -0.076 4.404 4.470 0.015 0.000 0.222 17 S C 2.132 176.747 174.600 0.026 0.000 1.024 17 S CA 2.364 60.574 58.200 0.017 0.000 0.931 17 S CB -0.266 62.940 63.200 0.011 0.000 0.791 17 S HN 0.385 8.702 8.310 0.012 0.000 0.513 18 S N 2.256 117.975 115.700 0.031 0.000 2.356 18 S HA -0.338 4.162 4.470 0.050 0.000 0.223 18 S C 1.835 176.464 174.600 0.048 0.000 1.032 18 S CA 3.572 61.797 58.200 0.042 0.000 1.005 18 S CB -0.187 63.036 63.200 0.038 0.000 0.867 18 S HN 0.085 8.411 8.310 0.027 0.000 0.449 19 E N 1.696 121.922 120.200 0.043 0.000 2.085 19 E HA -0.284 4.095 4.350 0.049 0.000 0.194 19 E C 2.186 178.815 176.600 0.049 0.000 0.994 19 E CA 2.959 59.387 56.400 0.047 0.000 0.801 19 E CB -0.756 28.972 29.700 0.047 0.000 0.743 19 E HN -0.025 8.357 8.360 0.037 0.000 0.453 20 L N -1.755 119.496 121.223 0.047 0.000 2.017 20 L HA -0.323 4.057 4.340 0.068 0.000 0.208 20 L C 2.050 178.922 176.870 0.003 0.000 1.073 20 L CA 3.220 58.087 54.840 0.045 0.000 0.745 20 L CB -1.483 40.604 42.059 0.046 0.000 0.894 20 L HN -0.359 7.896 8.230 0.043 0.000 0.432 21 T N 1.206 115.762 114.554 0.003 0.000 2.652 21 T HA -0.475 3.807 4.350 -0.114 0.000 0.267 21 T C 2.391 177.103 174.700 0.020 0.000 1.039 21 T CA 5.055 67.145 62.100 -0.016 0.000 1.153 21 T CB -0.424 68.481 68.868 0.061 0.000 0.863 21 T HN -0.398 7.855 8.240 0.023 0.000 0.428 22 E N 1.482 121.743 120.200 0.100 0.000 2.058 22 E HA -0.356 4.155 4.350 0.268 0.000 0.194 22 E C 2.289 178.943 176.600 0.090 0.000 0.997 22 E CA 2.893 59.380 56.400 0.144 0.000 0.801 22 E CB -0.259 29.499 29.700 0.097 0.000 0.746 22 E HN 0.226 8.551 8.360 0.098 0.094 0.450 23 L N -0.048 121.193 121.223 0.029 0.000 2.042 23 L HA -0.372 3.972 4.340 0.007 0.000 0.210 23 L C 1.488 178.329 176.870 -0.048 0.000 1.076 23 L CA 3.276 58.112 54.840 -0.007 0.000 0.749 23 L CB -0.445 41.605 42.059 -0.014 0.000 0.893 23 L HN 0.052 8.302 8.230 0.034 0.000 0.432 24 K N -1.951 118.381 120.400 -0.112 0.000 2.020 24 K HA -0.433 3.798 4.320 -0.149 0.000 0.212 24 K C 2.252 178.754 176.600 -0.163 0.000 1.050 24 K CA 3.390 59.556 56.287 -0.202 0.000 0.929 24 K CB -0.251 32.026 32.500 -0.371 0.000 0.714 24 K HN -0.538 7.646 8.250 -0.111 0.000 0.443 25 Y N -4.033 116.263 120.300 -0.006 0.000 2.184 25 Y HA -0.210 4.337 4.550 -0.006 0.000 0.290 25 Y C 2.162 178.057 175.900 -0.008 0.000 1.129 25 Y CA 2.072 60.169 58.100 -0.005 0.000 1.144 25 Y CB -0.005 38.454 38.460 -0.002 0.000 0.995 25 Y HN -0.852 7.281 8.280 -0.245 0.000 0.513 26 L N -2.176 119.142 121.223 0.160 0.000 2.191 26 L HA -0.284 4.108 4.340 0.085 0.000 0.212 26 L C 0.974 177.872 176.870 0.047 0.000 1.103 26 L CA 2.691 57.582 54.840 0.086 0.000 0.769 26 L CB -0.728 41.368 42.059 0.062 0.000 0.908 26 L HN 0.427 8.654 8.230 0.174 0.107 0.438 27 C N -2.597 116.720 119.300 0.028 0.000 2.428 27 C HA -0.159 4.302 4.460 0.002 0.000 0.347 27 C C 1.354 176.355 174.990 0.018 0.000 1.345 27 C CA 1.000 60.021 59.018 0.006 0.000 1.586 27 C CB -1.160 26.565 27.740 -0.025 0.000 1.638 27 C HN -0.661 7.580 8.230 0.019 0.000 0.597 28 L N 1.006 122.252 121.223 0.038 0.000 2.077 28 L HA -0.489 3.881 4.340 0.050 0.000 0.231 28 L C 2.382 179.265 176.870 0.022 0.000 1.100 28 L CA 3.491 58.354 54.840 0.037 0.000 0.819 28 L CB -0.973 41.106 42.059 0.034 0.000 0.913 28 L HN -0.566 7.616 8.230 0.057 0.083 0.446 29 G N -5.495 103.314 108.800 0.014 0.000 2.920 29 G HA2 -0.158 3.808 3.960 0.010 0.000 0.208 29 G HA3 -0.158 3.807 3.960 0.007 0.000 0.208 29 G C 0.156 175.058 174.900 0.004 0.000 1.159 29 G CA 0.142 45.247 45.100 0.009 0.000 0.784 29 G HN 0.020 8.317 8.290 0.012 0.000 0.535 30 R N -1.127 119.373 120.500 0.000 0.000 2.140 30 R HA 0.154 4.491 4.340 -0.005 0.000 0.200 30 R C -0.699 175.595 176.300 -0.009 0.000 1.069 30 R CA 0.977 57.072 56.100 -0.007 0.000 1.088 30 R CB 2.054 32.344 30.300 -0.016 0.000 1.012 30 R HN 0.058 8.171 8.270 0.001 0.158 0.500 31 V N 0.266 120.174 119.914 -0.010 0.000 2.357 31 V HA 0.124 4.237 4.120 -0.011 0.000 0.284 31 V C -1.456 174.641 176.094 0.005 0.000 1.018 31 V CA -1.238 61.056 62.300 -0.011 0.000 0.841 31 V CB 1.218 33.024 31.823 -0.028 0.000 0.991 31 V HN -0.245 7.941 8.190 -0.005 0.000 0.437 32 G N 2.765 111.570 108.800 0.009 0.000 2.521 32 G HA2 0.236 4.212 3.960 0.027 0.000 0.323 32 G HA3 0.236 4.205 3.960 0.015 0.000 0.323 32 G C -0.194 174.718 174.900 0.021 0.000 1.211 32 G CA -1.952 43.159 45.100 0.019 0.000 0.979 32 G HN -0.008 8.285 8.290 0.005 0.000 0.490 33 K N 0.836 121.254 120.400 0.030 0.000 2.066 33 K HA -0.572 3.779 4.320 0.052 0.000 0.221 33 K C 1.893 178.508 176.600 0.025 0.000 1.056 33 K CA 3.833 60.141 56.287 0.035 0.000 0.950 33 K CB 0.177 32.697 32.500 0.033 0.000 0.726 33 K HN 0.418 8.687 8.250 0.031 0.000 0.456 34 R N -2.518 117.991 120.500 0.016 0.000 2.073 34 R HA -0.277 4.071 4.340 0.013 0.000 0.234 34 R C 2.526 178.830 176.300 0.006 0.000 1.134 34 R CA 3.116 59.223 56.100 0.011 0.000 0.952 34 R CB -0.496 29.810 30.300 0.009 0.000 0.850 34 R HN 0.108 8.388 8.270 0.016 0.000 0.433 35 K N -0.600 119.801 120.400 0.003 0.000 2.147 35 K HA -0.289 4.028 4.320 -0.004 0.000 0.205 35 K C 2.287 178.879 176.600 -0.014 0.000 1.049 35 K CA 2.897 59.181 56.287 -0.005 0.000 0.936 35 K CB -0.400 32.097 32.500 -0.005 0.000 0.722 35 K HN -0.647 7.606 8.250 0.005 0.000 0.446 36 L N -1.803 119.413 121.223 -0.011 0.000 2.005 36 L HA -0.335 3.972 4.340 -0.055 0.000 0.207 36 L C 2.025 178.873 176.870 -0.036 0.000 1.072 36 L CA 2.992 57.815 54.840 -0.029 0.000 0.744 36 L CB 0.093 42.156 42.059 0.007 0.000 0.895 36 L HN 0.111 8.237 8.230 -0.002 0.103 0.433 37 E N -2.330 117.868 120.200 -0.004 0.000 2.107 37 E HA -0.299 4.055 4.350 0.006 0.000 0.191 37 E C 1.404 178.000 176.600 -0.007 0.000 0.982 37 E CA 2.449 58.852 56.400 0.005 0.000 0.809 37 E CB -0.209 29.505 29.700 0.023 0.000 0.756 37 E HN -0.016 8.347 8.360 0.005 0.000 0.459 38 R N -3.207 117.288 120.500 -0.009 0.000 2.153 38 R HA -0.060 4.278 4.340 -0.004 0.000 0.218 38 R C 0.589 176.881 176.300 -0.014 0.000 1.072 38 R CA 0.808 56.903 56.100 -0.008 0.000 0.990 38 R CB 0.344 30.642 30.300 -0.004 0.000 0.889 38 R HN -0.741 7.525 8.270 -0.007 0.000 0.452 39 V N -1.479 118.420 119.914 -0.024 0.000 2.614 39 V HA 0.109 4.219 4.120 -0.016 0.000 0.291 39 V C 0.579 176.655 176.094 -0.030 0.000 1.049 39 V CA -1.862 60.423 62.300 -0.025 0.000 1.038 39 V CB 1.061 32.867 31.823 -0.027 0.000 0.980 39 V HN -0.810 7.360 8.190 -0.033 0.000 0.481 40 Q N 6.798 126.585 119.800 -0.021 0.000 1.967 40 Q HA -0.095 4.233 4.340 -0.021 0.000 0.196 40 Q C 1.267 177.254 176.000 -0.022 0.000 0.978 40 Q CA 1.847 57.637 55.803 -0.020 0.000 0.833 40 Q CB 0.434 29.162 28.738 -0.017 0.000 0.898 40 Q HN 0.487 8.748 8.270 -0.016 0.000 0.446 41 S N -2.102 113.587 115.700 -0.018 0.000 2.719 41 S HA 0.150 4.608 4.470 -0.020 0.000 0.285 41 S C 1.318 175.919 174.600 0.002 0.000 1.137 41 S CA -2.136 56.054 58.200 -0.017 0.000 1.012 41 S CB 1.048 64.229 63.200 -0.032 0.000 1.134 41 S HN 0.045 8.781 8.310 -0.015 -0.435 0.544 42 G N 0.188 108.994 108.800 0.009 0.000 2.408 42 G HA2 -0.091 3.913 3.960 0.074 0.000 0.217 42 G HA3 -0.091 3.890 3.960 0.036 0.000 0.217 42 G C 1.413 176.399 174.900 0.142 0.000 1.150 42 G CA 1.701 46.837 45.100 0.060 0.000 0.776 42 G HN 0.352 8.635 8.290 -0.012 0.000 0.542 43 L N 0.143 121.384 121.223 0.031 0.000 2.265 43 L HA -0.196 4.128 4.340 -0.026 0.000 0.215 43 L C 0.495 177.465 176.870 0.167 0.000 1.117 43 L CA 1.989 56.846 54.840 0.028 0.000 0.782 43 L CB 0.056 42.026 42.059 -0.148 0.000 0.914 43 L HN -0.452 7.749 8.230 -0.048 0.000 0.441 44 D N -2.680 117.779 120.400 0.100 0.000 2.371 44 D HA -0.159 4.517 4.640 0.060 0.000 0.221 44 D C 2.068 178.406 176.300 0.064 0.000 0.986 44 D CA 2.737 56.776 54.000 0.064 0.000 0.899 44 D CB -0.386 40.423 40.800 0.015 0.000 0.902 44 D HN -0.627 7.571 8.370 0.080 0.220 0.530 45 L N 0.777 122.050 121.223 0.084 0.000 1.973 45 L HA -0.288 4.021 4.340 -0.052 0.000 0.208 45 L C 0.461 177.313 176.870 -0.030 0.000 1.073 45 L CA 3.021 57.833 54.840 -0.046 0.000 0.746 45 L CB -0.364 41.566 42.059 -0.214 0.000 0.891 45 L HN -0.964 7.317 8.230 0.153 0.040 0.433 46 F N -3.364 116.593 119.950 0.011 0.000 2.147 46 F HA -0.526 4.031 4.527 0.049 0.000 0.301 46 F C 2.349 178.182 175.800 0.055 0.000 1.084 46 F CA 3.801 61.826 58.000 0.042 0.000 1.268 46 F CB -1.074 37.961 39.000 0.059 0.000 1.009 46 F HN -0.135 8.196 8.300 0.051 0.000 0.486 47 S N -0.893 114.942 115.700 0.224 0.000 2.348 47 S HA -0.409 4.156 4.470 0.159 0.000 0.221 47 S C 1.796 176.452 174.600 0.094 0.000 1.033 47 S CA 3.290 61.568 58.200 0.131 0.000 1.010 47 S CB 0.125 63.364 63.200 0.064 0.000 0.891 47 S HN 0.475 8.829 8.310 0.275 0.121 0.442 48 M N 1.496 121.134 119.600 0.063 0.000 2.123 48 M HA -0.232 4.271 4.480 0.038 0.000 0.263 48 M C 1.982 178.302 176.300 0.033 0.000 1.069 48 M CA 3.451 58.773 55.300 0.036 0.000 1.133 48 M CB 0.578 33.184 32.600 0.011 0.000 1.356 48 M HN -0.812 7.515 8.290 0.061 0.000 0.415 49 L N -3.845 117.391 121.223 0.022 0.000 2.376 49 L HA 0.011 4.358 4.340 0.011 0.000 0.219 49 L C 1.242 178.138 176.870 0.043 0.000 1.133 49 L CA 2.257 57.105 54.840 0.013 0.000 0.816 49 L CB -2.093 39.948 42.059 -0.031 0.000 0.933 49 L HN 0.294 8.524 8.230 0.000 0.000 0.449 50 L N 0.110 121.380 121.223 0.078 0.000 2.156 50 L HA -0.087 4.306 4.340 0.088 0.000 0.208 50 L C 1.932 178.845 176.870 0.071 0.000 1.095 50 L CA 2.963 57.858 54.840 0.091 0.000 0.770 50 L CB -0.288 41.848 42.059 0.129 0.000 0.914 50 L HN -0.582 7.706 8.230 0.097 0.000 0.439 51 E N -1.336 118.902 120.200 0.063 0.000 2.051 51 E HA -0.250 4.135 4.350 0.058 0.000 0.189 51 E C 1.701 178.326 176.600 0.043 0.000 0.979 51 E CA 2.311 58.743 56.400 0.053 0.000 0.803 51 E CB -0.169 29.559 29.700 0.047 0.000 0.761 51 E HN -0.637 7.608 8.360 0.066 0.155 0.451 52 Q N -3.576 116.245 119.800 0.035 0.000 2.432 52 Q HA -0.011 4.345 4.340 0.027 0.000 0.205 52 Q C -0.315 175.703 176.000 0.029 0.000 0.945 52 Q CA -0.195 55.625 55.803 0.028 0.000 0.924 52 Q CB 0.583 29.332 28.738 0.018 0.000 1.016 52 Q HN -0.356 7.934 8.270 0.033 0.000 0.503 53 N N -2.100 116.621 118.700 0.035 0.000 2.765 53 N HA -0.378 4.543 4.740 0.041 -0.157 0.254 53 N C -0.865 174.661 175.510 0.026 0.000 1.094 53 N CA 0.484 53.555 53.050 0.035 0.000 0.680 53 N CB -0.956 37.556 38.487 0.041 0.000 0.902 53 N HN -0.432 7.875 8.380 0.040 0.098 0.557 54 D N -1.694 118.719 120.400 0.022 0.000 2.346 54 D HA 0.085 4.732 4.640 0.011 0.000 0.206 54 D C 0.018 176.330 176.300 0.020 0.000 1.001 54 D CA 1.639 55.647 54.000 0.014 0.000 0.871 54 D CB 0.753 41.554 40.800 0.001 0.000 0.943 54 D HN 0.472 8.766 8.370 0.029 0.093 0.518 55 L N -6.450 114.793 121.223 0.033 0.000 2.397 55 L HA 0.436 4.792 4.340 0.025 0.000 0.251 55 L C -2.465 174.427 176.870 0.036 0.000 1.064 55 L CA -1.721 53.142 54.840 0.038 0.000 0.859 55 L CB 2.501 44.601 42.059 0.068 0.000 1.468 55 L HN -0.894 7.362 8.230 0.043 0.000 0.411 56 E N -1.753 118.452 120.200 0.010 0.000 2.378 56 E HA 0.471 4.839 4.350 0.031 0.000 0.265 56 E C -2.094 174.473 176.600 -0.054 0.000 0.932 56 E CA -3.731 52.665 56.400 -0.005 0.000 0.795 56 E CB 0.387 30.072 29.700 -0.026 0.000 1.296 56 E HN -0.042 8.321 8.360 0.006 0.000 0.438 57 P HA 0.061 4.466 4.420 -0.025 0.000 0.269 57 P C -1.102 175.946 177.300 -0.419 0.000 1.461 57 P CA 0.019 63.060 63.100 -0.098 0.000 0.809 57 P CB 0.219 31.987 31.700 0.113 0.000 1.503 58 G N -2.233 106.310 108.800 -0.429 0.000 2.613 58 G HA2 0.091 3.828 3.960 -0.372 0.000 0.218 58 G HA3 0.091 3.969 3.960 -0.137 0.000 0.218 58 G C -1.691 172.905 174.900 -0.508 0.000 1.508 58 G CA -0.685 44.206 45.100 -0.349 0.000 0.788 58 G HN -0.229 7.646 8.290 -0.314 0.227 0.603 59 H N 1.060 119.933 119.070 -0.327 0.000 2.469 59 H HA 0.392 4.923 4.556 -0.245 -0.122 0.342 59 H C -1.769 173.456 175.328 -0.172 0.000 1.115 59 H CA -0.933 54.976 56.048 -0.232 0.000 1.204 59 H CB 3.561 33.249 29.762 -0.123 0.000 1.492 59 H HN -0.541 7.949 8.280 0.108 -0.146 0.499 60 T N -0.382 114.173 114.554 0.000 0.000 3.514 60 T HA 0.351 4.736 4.350 0.059 0.000 0.259 60 T C 0.614 175.367 174.700 0.089 0.000 1.466 60 T CA -1.857 60.287 62.100 0.074 0.000 1.562 60 T CB 1.235 70.204 68.868 0.169 0.000 0.924 60 T HN -0.469 8.189 8.240 -0.012 -0.425 0.678 61 E N 4.295 124.544 120.200 0.082 0.000 2.085 61 E HA -0.369 4.031 4.350 0.083 0.000 0.194 61 E C 1.524 178.154 176.600 0.050 0.000 0.994 61 E CA 3.458 59.902 56.400 0.072 0.000 0.801 61 E CB -1.167 28.570 29.700 0.062 0.000 0.743 61 E HN 0.416 8.832 8.360 0.092 0.000 0.453 62 L N -0.920 120.324 121.223 0.036 0.000 2.012 62 L HA -0.250 4.264 4.340 0.014 -0.165 0.210 62 L C 1.790 178.667 176.870 0.011 0.000 1.073 62 L CA 2.903 57.754 54.840 0.018 0.000 0.748 62 L CB -0.252 41.813 42.059 0.009 0.000 0.891 62 L HN -0.084 8.168 8.230 0.036 0.000 0.431 63 L N -2.533 118.706 121.223 0.026 0.000 2.093 63 L HA -0.332 3.982 4.340 -0.044 0.000 0.208 63 L C 1.845 178.742 176.870 0.045 0.000 1.085 63 L CA 2.515 57.365 54.840 0.018 0.000 0.755 63 L CB -0.997 41.105 42.059 0.072 0.000 0.904 63 L HN -0.216 8.038 8.230 0.039 0.000 0.435 64 R N -1.586 118.956 120.500 0.069 0.000 2.189 64 R HA -0.394 3.992 4.340 0.077 0.000 0.223 64 R C 2.166 178.495 176.300 0.049 0.000 1.092 64 R CA 3.811 59.952 56.100 0.069 0.000 0.989 64 R CB -0.450 29.898 30.300 0.080 0.000 0.876 64 R HN 0.448 8.767 8.270 0.082 0.000 0.457 65 E N 0.799 121.019 120.200 0.033 0.000 2.058 65 E HA -0.358 4.008 4.350 0.027 0.000 0.194 65 E C 2.305 178.915 176.600 0.017 0.000 0.997 65 E CA 3.155 59.569 56.400 0.023 0.000 0.801 65 E CB -0.405 29.302 29.700 0.012 0.000 0.746 65 E HN -0.468 7.806 8.360 0.031 0.105 0.450 66 L N -1.681 119.544 121.223 0.003 0.000 2.046 66 L HA -0.337 3.999 4.340 -0.006 0.000 0.208 66 L C 2.385 179.270 176.870 0.025 0.000 1.077 66 L CA 2.813 57.649 54.840 -0.006 0.000 0.747 66 L CB -0.402 41.619 42.059 -0.063 0.000 0.896 66 L HN -0.795 7.358 8.230 -0.004 0.074 0.432 67 L N -2.421 118.831 121.223 0.048 0.000 2.046 67 L HA -0.478 3.910 4.340 0.080 0.000 0.208 67 L C 1.238 178.144 176.870 0.060 0.000 1.077 67 L CA 2.759 57.641 54.840 0.069 0.000 0.747 67 L CB -0.407 41.701 42.059 0.082 0.000 0.896 67 L HN -0.201 8.057 8.230 0.046 0.000 0.432 68 A N -3.426 119.426 122.820 0.053 0.000 1.883 68 A HA -0.345 4.011 4.320 0.061 0.000 0.217 68 A C 2.563 180.173 177.584 0.042 0.000 1.186 68 A CA 2.572 54.639 52.037 0.051 0.000 0.624 68 A CB -0.493 18.534 19.000 0.045 0.000 0.822 68 A HN -0.172 8.008 8.150 0.051 0.000 0.444 69 S N -0.899 114.821 115.700 0.034 0.000 2.400 69 S HA -0.271 4.215 4.470 0.026 0.000 0.232 69 S C 1.179 175.798 174.600 0.032 0.000 1.025 69 S CA 2.561 60.778 58.200 0.028 0.000 0.993 69 S CB 0.023 63.236 63.200 0.021 0.000 0.808 69 S HN -0.351 7.977 8.310 0.030 0.000 0.478 70 L N -1.275 119.971 121.223 0.039 0.000 2.688 70 L HA 0.141 4.504 4.340 0.037 0.000 0.234 70 L C -0.899 176.000 176.870 0.047 0.000 1.192 70 L CA -0.564 54.301 54.840 0.043 0.000 0.984 70 L CB -0.873 41.216 42.059 0.050 0.000 1.232 70 L HN -0.569 7.677 8.230 0.042 0.009 0.465 71 R N -6.767 113.761 120.500 0.048 0.000 2.707 71 R HA -0.425 3.940 4.340 0.042 0.000 0.241 71 R C -0.004 176.343 176.300 0.079 0.000 0.746 71 R CA 2.073 58.203 56.100 0.049 0.000 1.713 71 R CB -2.441 27.880 30.300 0.034 0.000 1.214 71 R HN -0.024 8.071 8.270 0.044 0.201 0.559 72 R N 2.736 123.288 120.500 0.087 0.000 2.488 72 R HA -0.094 4.337 4.340 0.153 0.000 0.306 72 R C 1.087 177.472 176.300 0.142 0.000 1.271 72 R CA 0.182 56.352 56.100 0.116 0.000 1.022 72 R CB -1.169 29.174 30.300 0.071 0.000 1.054 72 R HN -0.329 7.816 8.270 0.067 0.165 0.500 73 H N 4.982 124.062 119.070 0.016 0.000 2.491 73 H HA -0.303 4.266 4.556 0.022 0.000 0.290 73 H C 0.857 176.195 175.328 0.016 0.000 1.050 73 H CA 2.041 58.100 56.048 0.018 0.000 1.309 73 H CB -0.275 29.497 29.762 0.017 0.000 1.392 73 H HN -0.050 8.404 8.280 0.356 0.040 0.554 74 D N 0.702 120.907 120.400 -0.325 0.000 2.097 74 D HA -0.230 4.118 4.640 -0.488 0.000 0.195 74 D C 2.175 178.386 176.300 -0.149 0.000 0.989 74 D CA 3.636 57.450 54.000 -0.310 0.000 0.827 74 D CB -0.836 39.879 40.800 -0.142 0.000 0.966 74 D HN 0.301 8.605 8.370 -0.110 0.000 0.456 75 L N -0.995 120.185 121.223 -0.072 0.000 2.046 75 L HA -0.289 4.009 4.340 -0.069 0.000 0.208 75 L C 1.733 178.580 176.870 -0.037 0.000 1.077 75 L CA 2.837 57.648 54.840 -0.049 0.000 0.747 75 L CB -0.297 41.754 42.059 -0.014 0.000 0.896 75 L HN -0.373 7.833 8.230 -0.038 0.000 0.432 76 L N -1.674 119.542 121.223 -0.013 0.000 1.971 76 L HA -0.630 3.728 4.340 0.030 0.000 0.215 76 L C 2.114 178.985 176.870 0.001 0.000 1.072 76 L CA 3.378 58.225 54.840 0.012 0.000 0.758 76 L CB -0.655 41.430 42.059 0.042 0.000 0.889 76 L HN -0.521 7.609 8.230 -0.014 0.091 0.433 77 R N -3.236 117.241 120.500 -0.038 0.000 2.081 77 R HA -0.223 4.272 4.340 0.013 -0.147 0.235 77 R C 2.893 179.202 176.300 0.016 0.000 1.131 77 R CA 1.834 57.922 56.100 -0.019 0.000 0.960 77 R CB -0.920 29.343 30.300 -0.063 0.000 0.856 77 R HN 0.041 8.258 8.270 -0.088 0.000 0.436 78 R N -1.103 119.393 120.500 -0.006 0.000 2.081 78 R HA -0.221 4.179 4.340 0.099 0.000 0.235 78 R C 2.352 178.695 176.300 0.072 0.000 1.131 78 R CA 3.055 59.175 56.100 0.034 0.000 0.960 78 R CB -0.903 29.378 30.300 -0.033 0.000 0.856 78 R HN -0.726 7.515 8.270 -0.049 0.000 0.436 79 V N 0.606 120.519 119.914 -0.002 0.000 2.515 79 V HA -0.470 3.618 4.120 -0.052 0.000 0.250 79 V C 1.797 177.992 176.094 0.168 0.000 1.058 79 V CA 3.792 66.112 62.300 0.032 0.000 1.064 79 V CB -0.457 31.368 31.823 0.004 0.000 0.675 79 V HN -0.682 7.487 8.190 -0.035 0.000 0.461 80 D N 0.429 120.899 120.400 0.117 0.000 2.097 80 D HA -0.311 4.381 4.640 0.087 0.000 0.195 80 D C 2.075 178.437 176.300 0.103 0.000 0.989 80 D CA 4.124 58.182 54.000 0.096 0.000 0.827 80 D CB -0.488 40.351 40.800 0.065 0.000 0.966 80 D HN 0.143 8.439 8.370 0.080 0.123 0.456 81 D N 0.122 120.602 120.400 0.132 0.000 2.123 81 D HA -0.284 4.382 4.640 0.042 0.000 0.196 81 D C 2.205 178.559 176.300 0.090 0.000 0.992 81 D CA 3.154 57.212 54.000 0.098 0.000 0.833 81 D CB -0.044 40.811 40.800 0.092 0.000 0.954 81 D HN -0.499 7.948 8.370 0.129 0.000 0.455 82 F N -1.852 118.111 119.950 0.021 0.000 2.065 82 F HA -0.430 4.117 4.527 0.033 0.000 0.298 82 F C 1.530 177.309 175.800 -0.036 0.000 1.112 82 F CA 3.704 61.737 58.000 0.056 0.000 1.212 82 F CB -0.073 39.050 39.000 0.204 0.000 0.975 82 F HN -0.804 7.800 8.300 0.507 0.000 0.476 83 E N -3.484 116.758 120.200 0.069 0.000 2.107 83 E HA -0.310 3.878 4.350 -0.515 -0.147 0.191 83 E C 1.950 178.313 176.600 -0.395 0.000 0.982 83 E CA 1.811 57.996 56.400 -0.357 0.000 0.809 83 E CB 0.429 29.894 29.700 -0.393 0.000 0.756 83 E HN -0.782 7.707 8.360 0.215 0.000 0.459 84 A N -2.033 120.712 122.820 -0.126 0.000 1.841 84 A HA -0.186 4.150 4.320 0.026 0.000 0.216 84 A C 1.870 179.436 177.584 -0.030 0.000 1.199 84 A CA 2.611 54.629 52.037 -0.032 0.000 0.621 84 A CB -0.359 18.644 19.000 0.005 0.000 0.835 84 A HN 0.352 8.363 8.150 -0.057 0.104 0.445 85 G N -4.247 104.519 108.800 -0.056 0.000 2.707 85 G HA2 0.087 4.024 3.960 -0.039 0.000 0.198 85 G HA3 0.087 4.010 3.960 -0.062 0.000 0.198 85 G C -0.032 174.806 174.900 -0.103 0.000 1.065 85 G CA 0.248 45.310 45.100 -0.062 0.000 0.763 85 G HN -0.355 7.902 8.290 -0.053 0.000 0.625 86 A N 1.547 124.267 122.820 -0.165 0.000 2.640 86 A HA 0.158 4.360 4.320 -0.197 0.000 0.282 86 A C -0.023 177.447 177.584 -0.190 0.000 1.357 86 A CA -0.566 51.324 52.037 -0.245 0.000 0.946 86 A CB -0.196 18.493 19.000 -0.518 0.000 1.065 86 A HN -0.333 7.719 8.150 -0.164 0.000 0.541 87 A N -0.173 122.579 122.820 -0.114 0.000 2.478 87 A HA -0.080 4.204 4.320 -0.060 0.000 0.239 87 A C -1.217 176.331 177.584 -0.059 0.000 1.480 87 A CA -0.366 51.624 52.037 -0.078 0.000 1.308 87 A CB -1.578 17.378 19.000 -0.073 0.000 0.899 87 A HN 0.187 8.196 8.150 -0.109 0.076 0.600 88 A N 0.647 123.428 122.820 -0.065 0.000 2.478 88 A HA 0.095 4.390 4.320 -0.042 0.000 0.327 88 A C 0.011 177.581 177.584 -0.024 0.000 1.431 88 A CA -0.654 51.355 52.037 -0.047 0.000 1.014 88 A CB -0.383 18.582 19.000 -0.058 0.000 1.143 88 A HN -0.548 7.485 8.150 -0.089 0.064 0.532 89 G N 4.216 113.009 108.800 -0.012 0.000 2.225 89 G HA2 -0.289 3.672 3.960 0.002 0.000 0.264 89 G HA3 -0.289 3.677 3.960 0.011 0.000 0.264 89 G C -0.727 174.195 174.900 0.038 0.000 1.060 89 G CA 0.338 45.443 45.100 0.008 0.000 0.833 89 G HN 0.140 8.417 8.290 -0.021 0.000 0.498 90 A N -1.552 121.292 122.820 0.039 0.000 1.956 90 A HA -0.036 4.391 4.320 0.180 0.000 0.212 90 A C -1.145 176.499 177.584 0.101 0.000 1.188 90 A CA 0.775 52.878 52.037 0.111 0.000 0.675 90 A CB 0.875 19.926 19.000 0.086 0.000 0.845 90 A HN -0.041 8.113 8.150 0.007 0.000 0.455 91 A N -2.883 119.948 122.820 0.018 0.000 2.279 91 A HA 0.451 4.795 4.320 0.039 0.000 0.306 91 A C -2.205 175.387 177.584 0.013 0.000 1.300 91 A CA -2.689 49.354 52.037 0.010 0.000 0.925 91 A CB -0.055 18.924 19.000 -0.036 0.000 1.152 91 A HN -0.246 7.820 8.150 0.017 0.094 0.544 92 P HA 0.171 4.603 4.420 0.020 0.000 0.257 92 P C 0.449 177.760 177.300 0.018 0.000 1.281 92 P CA 0.345 63.460 63.100 0.025 0.000 0.826 92 P CB 0.315 32.035 31.700 0.034 0.000 1.237 93 G N 0.330 109.137 108.800 0.012 0.000 2.430 93 G HA2 -0.208 3.768 3.960 0.026 0.000 0.216 93 G HA3 -0.208 3.759 3.960 0.012 0.000 0.216 93 G C 0.675 175.578 174.900 0.004 0.000 1.146 93 G CA 1.371 46.479 45.100 0.014 0.000 0.793 93 G HN -0.435 7.803 8.290 -0.000 0.052 0.537 94 E N 0.848 121.035 120.200 -0.021 0.000 2.187 94 E HA -0.378 3.934 4.350 -0.064 0.000 0.199 94 E C 2.096 178.689 176.600 -0.011 0.000 1.004 94 E CA 3.503 59.877 56.400 -0.043 0.000 0.813 94 E CB -0.302 29.356 29.700 -0.068 0.000 0.736 94 E HN -0.540 7.784 8.360 -0.027 0.020 0.468 95 E N -1.816 118.391 120.200 0.011 0.000 2.051 95 E HA -0.194 4.173 4.350 0.028 0.000 0.189 95 E C 2.266 178.896 176.600 0.051 0.000 0.979 95 E CA 2.771 59.189 56.400 0.029 0.000 0.803 95 E CB -0.893 28.823 29.700 0.025 0.000 0.761 95 E HN -0.646 7.700 8.360 0.008 0.019 0.451 96 D N 0.435 120.865 120.400 0.051 0.000 2.178 96 D HA -0.188 4.493 4.640 0.068 0.000 0.202 96 D C 2.525 178.878 176.300 0.089 0.000 0.974 96 D CA 3.018 57.057 54.000 0.065 0.000 0.841 96 D CB -0.381 40.453 40.800 0.057 0.000 0.953 96 D HN -0.342 8.051 8.370 0.039 0.000 0.478 97 L N 0.438 121.711 121.223 0.083 0.000 2.017 97 L HA -0.302 4.125 4.340 0.145 0.000 0.208 97 L C 1.428 178.399 176.870 0.167 0.000 1.073 97 L CA 3.596 58.505 54.840 0.116 0.000 0.745 97 L CB 0.210 42.305 42.059 0.059 0.000 0.894 97 L HN -0.392 7.874 8.230 0.059 0.000 0.432 98 C N -1.216 118.160 119.300 0.126 0.000 2.425 98 C HA -0.537 4.097 4.460 0.290 0.000 0.277 98 C C 1.401 176.567 174.990 0.293 0.000 1.280 98 C CA 4.207 63.357 59.018 0.219 0.000 1.744 98 C CB -0.418 27.384 27.740 0.104 0.000 1.989 98 C HN 0.417 8.573 8.230 0.065 0.113 0.491 99 A N -0.485 122.439 122.820 0.174 0.000 1.865 99 A HA -0.405 3.986 4.320 0.119 0.000 0.217 99 A C 1.521 179.191 177.584 0.143 0.000 1.191 99 A CA 3.216 55.333 52.037 0.134 0.000 0.623 99 A CB -0.878 18.177 19.000 0.091 0.000 0.826 99 A HN 0.205 8.438 8.150 0.137 0.000 0.444 100 A N -1.548 121.368 122.820 0.161 0.000 1.883 100 A HA -0.273 4.116 4.320 0.115 0.000 0.217 100 A C 1.746 179.459 177.584 0.216 0.000 1.186 100 A CA 2.742 54.875 52.037 0.160 0.000 0.624 100 A CB -0.642 18.449 19.000 0.152 0.000 0.822 100 A HN -0.384 7.862 8.150 0.159 0.000 0.444 101 F N -0.458 119.556 119.950 0.107 0.000 2.126 101 F HA -0.502 4.097 4.527 0.119 0.000 0.299 101 F C 1.260 177.112 175.800 0.088 0.000 1.096 101 F CA 3.131 61.206 58.000 0.124 0.000 1.255 101 F CB 0.124 39.250 39.000 0.210 0.000 0.997 101 F HN 0.534 8.994 8.300 0.447 0.108 0.479 102 N N -1.498 117.199 118.700 -0.006 0.000 2.149 102 N HA -0.391 4.142 4.740 -0.345 0.000 0.188 102 N C 1.520 176.974 175.510 -0.093 0.000 1.019 102 N CA 3.355 56.323 53.050 -0.137 0.000 0.857 102 N CB -0.134 38.360 38.487 0.012 0.000 0.997 102 N HN 0.181 8.687 8.380 0.209 0.000 0.426 103 V N 0.316 120.226 119.914 -0.007 0.000 2.323 103 V HA -0.394 3.723 4.120 -0.005 0.000 0.244 103 V C 1.572 177.670 176.094 0.006 0.000 1.041 103 V CA 3.574 65.878 62.300 0.007 0.000 1.025 103 V CB 0.100 31.943 31.823 0.035 0.000 0.656 103 V HN -0.668 7.363 8.190 0.038 0.182 0.451 104 I N -0.899 119.688 120.570 0.028 0.000 2.226 104 I HA -0.518 3.691 4.170 0.066 0.000 0.245 104 I C 2.478 178.633 176.117 0.062 0.000 1.100 104 I CA 4.141 65.481 61.300 0.067 0.000 1.374 104 I CB -0.138 37.940 38.000 0.130 0.000 1.057 104 I HN -0.071 8.169 8.210 0.051 0.000 0.413 105 C N -0.162 119.083 119.300 -0.091 0.000 2.403 105 C HA -0.400 3.962 4.460 -0.164 0.000 0.279 105 C C 1.661 176.594 174.990 -0.096 0.000 1.269 105 C CA 3.360 62.263 59.018 -0.192 0.000 1.774 105 C CB -0.786 26.675 27.740 -0.465 0.000 1.993 105 C HN 0.395 8.512 8.230 -0.188 0.000 0.496 106 D N -0.173 120.190 120.400 -0.061 0.000 2.183 106 D HA -0.073 4.537 4.640 -0.051 0.000 0.203 106 D C -0.963 175.339 176.300 0.004 0.000 0.969 106 D CA 1.796 55.776 54.000 -0.033 0.000 0.842 106 D CB 0.691 41.474 40.800 -0.029 0.000 0.957 106 D HN -0.564 7.752 8.370 -0.090 0.000 0.484 107 N N -0.141 118.579 118.700 0.035 0.000 2.443 107 N HA 0.151 4.916 4.740 0.040 0.000 0.269 107 N C -2.057 173.515 175.510 0.103 0.000 0.985 107 N CA -0.121 52.958 53.050 0.049 0.000 0.921 107 N CB 2.196 40.700 38.487 0.030 0.000 1.195 107 N HN -0.693 7.713 8.380 0.042 0.000 0.492 108 V N -2.661 117.328 119.914 0.125 0.000 2.888 108 V HA 0.394 4.697 4.120 0.304 0.000 0.309 108 V C -1.099 175.088 176.094 0.154 0.000 1.114 108 V CA -1.956 60.498 62.300 0.255 0.000 0.940 108 V CB 2.367 34.417 31.823 0.378 0.000 1.021 108 V HN -0.283 7.958 8.190 0.085 0.000 0.426 109 G N 3.481 112.336 108.800 0.092 0.000 2.667 109 G HA2 0.323 4.303 3.960 0.034 0.000 0.310 109 G HA3 0.323 4.397 3.960 -0.071 -0.157 0.310 109 G C -1.074 173.857 174.900 0.051 0.000 1.259 109 G CA -1.233 43.874 45.100 0.011 0.000 1.019 109 G HN 0.047 8.392 8.290 0.091 0.000 0.496 110 K N -1.080 119.336 120.400 0.027 0.000 2.665 110 K HA -0.071 4.338 4.320 0.149 0.000 0.214 110 K C -0.821 175.784 176.600 0.009 0.000 1.032 110 K CA 0.662 56.988 56.287 0.065 0.000 1.198 110 K CB -0.441 32.086 32.500 0.046 0.000 0.941 110 K HN 0.304 8.572 8.250 0.030 0.000 0.491 111 D N -0.110 120.201 120.400 -0.147 0.000 2.395 111 D HA 0.128 4.689 4.640 -0.131 0.000 0.213 111 D C 0.790 176.878 176.300 -0.354 0.000 1.110 111 D CA 0.689 54.545 54.000 -0.240 0.000 0.835 111 D CB -0.197 40.406 40.800 -0.329 0.000 0.965 111 D HN -0.407 7.745 8.370 -0.321 0.026 0.505 112 W N 0.079 121.374 121.300 -0.008 0.000 2.465 112 W HA -0.243 4.405 4.660 -0.021 0.000 0.268 112 W C 0.952 177.477 176.519 0.010 0.000 1.242 112 W CA 3.084 60.427 57.345 -0.004 0.000 1.248 112 W CB -0.494 28.971 29.460 0.009 0.000 1.118 112 W HN -0.340 7.990 8.180 0.251 0.000 0.587 113 R N -1.355 119.235 120.500 0.150 0.000 2.081 113 R HA -0.445 3.973 4.340 0.130 0.000 0.235 113 R C 1.731 178.055 176.300 0.040 0.000 1.131 113 R CA 3.006 59.165 56.100 0.098 0.000 0.960 113 R CB -0.928 29.418 30.300 0.076 0.000 0.856 113 R HN -0.338 8.012 8.270 0.126 -0.005 0.436 114 R N -0.776 119.711 120.500 -0.021 0.000 2.073 114 R HA -0.206 4.124 4.340 -0.016 0.000 0.229 114 R C 2.036 178.308 176.300 -0.047 0.000 1.120 114 R CA 2.880 58.956 56.100 -0.040 0.000 0.967 114 R CB -0.415 29.842 30.300 -0.073 0.000 0.862 114 R HN -0.445 7.702 8.270 -0.076 0.078 0.436 115 L N 0.640 121.804 121.223 -0.097 0.000 2.046 115 L HA -0.194 4.067 4.340 -0.132 0.000 0.208 115 L C 1.371 178.233 176.870 -0.013 0.000 1.077 115 L CA 2.481 57.244 54.840 -0.129 0.000 0.747 115 L CB -0.531 41.324 42.059 -0.340 0.000 0.896 115 L HN -0.291 7.836 8.230 -0.119 0.031 0.432 116 A N -1.721 121.151 122.820 0.088 0.000 1.933 116 A HA -0.381 4.036 4.320 0.162 0.000 0.218 116 A C 1.881 179.527 177.584 0.103 0.000 1.175 116 A CA 3.220 55.342 52.037 0.141 0.000 0.628 116 A CB -0.623 18.493 19.000 0.193 0.000 0.814 116 A HN 0.311 8.424 8.150 0.116 0.106 0.444 117 R N -2.071 118.469 120.500 0.066 0.000 2.080 117 R HA -0.312 4.063 4.340 0.060 0.000 0.236 117 R C 3.009 179.333 176.300 0.040 0.000 1.137 117 R CA 2.742 58.872 56.100 0.049 0.000 0.943 117 R CB -0.581 29.736 30.300 0.029 0.000 0.846 117 R HN -0.641 7.664 8.270 0.058 0.000 0.431 118 Q N -1.043 118.766 119.800 0.015 0.000 2.112 118 Q HA -0.247 4.094 4.340 0.003 0.000 0.206 118 Q C 2.941 178.955 176.000 0.023 0.000 0.987 118 Q CA 2.864 58.667 55.803 0.001 0.000 0.858 118 Q CB -0.498 28.220 28.738 -0.034 0.000 0.905 118 Q HN 0.038 8.309 8.270 0.002 0.000 0.420 119 L N -4.943 116.308 121.223 0.047 0.000 2.465 119 L HA -0.153 4.255 4.340 0.113 0.000 0.224 119 L C -0.420 176.554 176.870 0.172 0.000 1.145 119 L CA 0.909 55.822 54.840 0.122 0.000 0.834 119 L CB 0.176 42.311 42.059 0.126 0.000 0.944 119 L HN -0.115 8.133 8.230 0.030 0.000 0.451 120 K N -5.249 115.226 120.400 0.125 0.000 3.244 120 K HA -0.363 4.096 4.320 0.086 -0.087 0.269 120 K C -0.965 175.718 176.600 0.137 0.000 1.150 120 K CA 0.093 56.446 56.287 0.111 0.000 0.799 120 K CB -3.415 29.139 32.500 0.090 0.000 1.286 120 K HN -0.552 7.634 8.250 0.108 0.128 0.488 121 V N 1.913 121.917 119.914 0.151 0.000 2.530 121 V HA -0.119 4.082 4.120 0.135 0.000 0.282 121 V C 0.071 176.221 176.094 0.094 0.000 1.048 121 V CA -0.432 61.951 62.300 0.138 0.000 0.997 121 V CB 0.972 32.895 31.823 0.165 0.000 0.987 121 V HN 0.205 8.485 8.190 0.150 0.000 0.477 122 S N 7.655 123.399 115.700 0.073 0.000 2.626 122 S HA -0.225 4.275 4.470 0.049 0.000 0.303 122 S C 0.291 174.919 174.600 0.047 0.000 1.256 122 S CA 1.094 59.325 58.200 0.052 0.000 1.069 122 S CB 0.792 64.016 63.200 0.040 0.000 0.807 122 S HN 0.477 8.832 8.310 0.075 0.000 0.500 123 D N 4.426 124.849 120.400 0.038 0.000 2.218 123 D HA -0.233 4.430 4.640 0.037 0.000 0.204 123 D C 1.595 177.909 176.300 0.025 0.000 0.976 123 D CA 3.934 57.953 54.000 0.031 0.000 0.853 123 D CB -0.182 40.633 40.800 0.025 0.000 0.939 123 D HN 0.668 9.059 8.370 0.035 0.000 0.481 124 T N 0.739 115.305 114.554 0.021 0.000 2.915 124 T HA -0.343 4.013 4.350 0.009 0.000 0.269 124 T C 1.421 176.130 174.700 0.015 0.000 1.071 124 T CA 4.355 66.464 62.100 0.014 0.000 1.132 124 T CB -0.495 68.380 68.868 0.012 0.000 0.878 124 T HN 0.232 8.484 8.240 0.021 0.000 0.479 125 K N 1.788 122.203 120.400 0.026 0.000 2.031 125 K HA -0.181 4.153 4.320 0.023 0.000 0.205 125 K C 2.205 178.826 176.600 0.035 0.000 1.049 125 K CA 3.395 59.701 56.287 0.032 0.000 0.939 125 K CB -0.320 32.209 32.500 0.048 0.000 0.717 125 K HN -0.696 7.396 8.250 0.027 0.174 0.438 126 I N 0.233 120.829 120.570 0.044 0.000 2.118 126 I HA -0.538 3.670 4.170 0.063 0.000 0.241 126 I C 1.591 177.724 176.117 0.027 0.000 1.070 126 I CA 3.771 65.100 61.300 0.048 0.000 1.327 126 I CB -1.490 36.541 38.000 0.052 0.000 1.034 126 I HN -0.410 7.728 8.210 0.043 0.098 0.405 127 D N -0.229 120.180 120.400 0.015 0.000 2.116 127 D HA -0.354 4.288 4.640 0.003 0.000 0.193 127 D C 2.639 178.929 176.300 -0.017 0.000 0.998 127 D CA 4.161 58.161 54.000 0.001 0.000 0.836 127 D CB -0.097 40.704 40.800 0.001 0.000 0.951 127 D HN 0.342 8.618 8.370 0.017 0.104 0.449 128 S N 0.569 116.255 115.700 -0.024 0.000 2.371 128 S HA -0.213 4.219 4.470 -0.063 0.000 0.224 128 S C 2.164 176.704 174.600 -0.101 0.000 1.029 128 S CA 3.717 61.884 58.200 -0.056 0.000 0.978 128 S CB 0.022 63.195 63.200 -0.044 0.000 0.833 128 S HN -0.755 7.548 8.310 -0.011 0.000 0.466 129 I N 1.994 122.530 120.570 -0.057 0.000 2.315 129 I HA -0.408 3.664 4.170 -0.162 0.000 0.248 129 I C 1.670 177.758 176.117 -0.048 0.000 1.117 129 I CA 1.826 63.097 61.300 -0.049 0.000 1.404 129 I CB -0.482 37.559 38.000 0.068 0.000 1.071 129 I HN 0.315 8.511 8.210 -0.023 0.000 0.419 130 E N -0.152 120.042 120.200 -0.010 0.000 2.051 130 E HA -0.417 3.960 4.350 0.046 0.000 0.192 130 E C 1.762 178.346 176.600 -0.026 0.000 0.991 130 E CA 3.206 59.611 56.400 0.008 0.000 0.799 130 E CB -0.239 29.469 29.700 0.015 0.000 0.748 130 E HN 0.172 8.426 8.360 0.004 0.108 0.449 131 D N -1.945 118.418 120.400 -0.062 0.000 2.097 131 D HA -0.229 4.384 4.640 -0.046 0.000 0.195 131 D C 2.426 178.643 176.300 -0.139 0.000 0.989 131 D CA 2.648 56.602 54.000 -0.077 0.000 0.827 131 D CB 0.230 40.988 40.800 -0.070 0.000 0.966 131 D HN -0.783 7.551 8.370 -0.059 0.000 0.456 132 R N -2.214 118.115 120.500 -0.286 0.000 2.083 132 R HA -0.211 3.912 4.340 -0.361 0.000 0.237 132 R C 0.954 176.936 176.300 -0.529 0.000 1.137 132 R CA 1.826 57.590 56.100 -0.559 0.000 0.951 132 R CB 0.846 30.481 30.300 -1.108 0.000 0.851 132 R HN 0.146 8.134 8.270 -0.294 0.106 0.434 133 Y N -4.223 116.089 120.300 0.020 0.000 2.658 133 Y HA 0.419 4.979 4.550 0.017 0.000 0.362 133 Y C -1.985 173.929 175.900 0.025 0.000 1.017 133 Y CA -3.752 54.361 58.100 0.021 0.000 1.134 133 Y CB -1.179 37.294 38.460 0.021 0.000 1.144 133 Y HN -0.685 7.509 8.280 -0.142 0.000 0.655 134 P HA 0.138 4.729 4.420 0.071 -0.128 0.214 134 P C 1.239 178.590 177.300 0.085 0.000 1.162 134 P CA 1.924 65.071 63.100 0.079 0.000 0.871 134 P CB 0.758 32.484 31.700 0.044 0.000 0.783 135 R N -3.413 117.136 120.500 0.080 0.000 2.223 135 R HA -0.076 4.296 4.340 0.054 0.000 0.198 135 R C -0.490 175.850 176.300 0.065 0.000 0.984 135 R CA 0.924 57.062 56.100 0.062 0.000 1.018 135 R CB -0.650 29.679 30.300 0.047 0.000 0.945 135 R HN 0.318 8.639 8.270 0.086 0.000 0.479 136 N N -0.882 117.865 118.700 0.079 0.000 2.424 136 N HA -0.003 4.760 4.740 0.038 0.000 0.257 136 N C -0.239 175.303 175.510 0.053 0.000 1.250 136 N CA 0.377 53.459 53.050 0.053 0.000 0.946 136 N CB 0.512 39.019 38.487 0.032 0.000 1.175 136 N HN -0.528 7.914 8.380 0.104 0.000 0.477 137 L N -0.501 120.737 121.223 0.026 0.000 2.262 137 L HA 0.108 4.492 4.340 0.073 0.000 0.197 137 L C 1.823 178.681 176.870 -0.019 0.000 1.073 137 L CA 2.707 57.566 54.840 0.032 0.000 0.800 137 L CB -0.017 42.062 42.059 0.033 0.000 0.987 137 L HN 0.483 8.714 8.230 0.001 0.000 0.470 138 T N -1.692 112.829 114.554 -0.056 0.000 2.597 138 T HA -0.398 3.897 4.350 -0.092 0.000 0.267 138 T C 1.392 176.009 174.700 -0.138 0.000 1.053 138 T CA 3.381 65.423 62.100 -0.097 0.000 1.165 138 T CB -0.548 68.261 68.868 -0.098 0.000 0.863 138 T HN -0.089 8.128 8.240 -0.037 0.000 0.427 139 E N -1.006 119.077 120.200 -0.195 0.000 2.285 139 E HA -0.119 4.102 4.350 -0.215 0.000 0.194 139 E C 2.233 178.751 176.600 -0.137 0.000 0.997 139 E CA 2.633 58.873 56.400 -0.267 0.000 0.845 139 E CB -0.902 28.408 29.700 -0.649 0.000 0.782 139 E HN 0.570 8.812 8.360 -0.197 0.000 0.491 140 R N 0.313 120.784 120.500 -0.049 0.000 2.070 140 R HA -0.176 4.220 4.340 0.093 0.000 0.233 140 R C 2.662 178.910 176.300 -0.085 0.000 1.137 140 R CA 2.287 58.406 56.100 0.032 0.000 0.945 140 R CB -1.002 29.372 30.300 0.124 0.000 0.845 140 R HN -0.138 8.100 8.270 -0.055 0.000 0.430 141 V N -2.555 117.228 119.914 -0.219 0.000 2.407 141 V HA -0.112 3.480 4.120 -0.880 0.000 0.248 141 V C 2.058 177.935 176.094 -0.361 0.000 1.055 141 V CA 3.417 65.422 62.300 -0.492 0.000 1.049 141 V CB -1.032 30.513 31.823 -0.464 0.000 0.662 141 V HN 0.396 8.496 8.190 -0.149 0.000 0.455 142 R N -0.732 119.647 120.500 -0.202 0.000 2.062 142 R HA -0.304 3.955 4.340 -0.135 0.000 0.229 142 R C 2.463 178.723 176.300 -0.068 0.000 1.128 142 R CA 2.626 58.649 56.100 -0.128 0.000 0.960 142 R CB -0.664 29.574 30.300 -0.102 0.000 0.855 142 R HN -0.699 7.372 8.270 -0.195 0.082 0.432 143 E N 0.337 120.516 120.200 -0.035 0.000 2.012 143 E HA -0.293 4.081 4.350 0.040 0.000 0.197 143 E C 2.334 178.965 176.600 0.052 0.000 1.007 143 E CA 3.024 59.444 56.400 0.033 0.000 0.816 143 E CB -0.542 29.212 29.700 0.090 0.000 0.762 143 E HN 0.004 8.226 8.360 -0.050 0.108 0.451 144 S N -0.031 115.692 115.700 0.038 0.000 2.370 144 S HA -0.290 4.287 4.470 0.179 0.000 0.226 144 S C 2.339 177.022 174.600 0.138 0.000 1.033 144 S CA 3.967 62.234 58.200 0.111 0.000 1.011 144 S CB -0.401 62.907 63.200 0.180 0.000 0.852 144 S HN 0.096 8.410 8.310 0.006 0.000 0.457 145 L N 1.504 122.732 121.223 0.008 0.000 2.109 145 L HA -0.203 4.366 4.340 0.381 0.000 0.207 145 L C 2.058 179.084 176.870 0.261 0.000 1.086 145 L CA 2.440 57.400 54.840 0.200 0.000 0.760 145 L CB -0.424 41.680 42.059 0.076 0.000 0.910 145 L HN -0.698 7.439 8.230 -0.154 0.000 0.437 146 R N -0.697 119.882 120.500 0.131 0.000 2.075 146 R HA -0.262 4.130 4.340 0.086 0.000 0.232 146 R C 2.526 178.871 176.300 0.075 0.000 1.126 146 R CA 2.325 58.478 56.100 0.088 0.000 0.963 146 R CB -0.679 29.650 30.300 0.047 0.000 0.858 146 R HN -0.521 7.792 8.270 0.072 0.000 0.435 147 I N -1.405 119.230 120.570 0.109 0.000 2.439 147 I HA -0.235 3.968 4.170 0.054 0.000 0.251 147 I C 1.627 177.825 176.117 0.135 0.000 1.139 147 I CA 1.711 63.073 61.300 0.104 0.000 1.438 147 I CB -1.360 36.709 38.000 0.114 0.000 1.085 147 I HN 0.447 8.728 8.210 0.118 0.000 0.427 148 W N 1.948 123.273 121.300 0.042 0.000 2.378 148 W HA -0.443 4.244 4.660 0.044 0.000 0.313 148 W C 0.893 177.395 176.519 -0.029 0.000 1.197 148 W CA 5.196 62.563 57.345 0.037 0.000 1.304 148 W CB -0.165 29.352 29.460 0.096 0.000 1.148 148 W HN -0.165 8.238 8.180 0.373 0.000 0.494 149 K N -4.135 116.099 120.400 -0.276 0.000 2.504 149 K HA -0.316 3.495 4.320 -0.848 0.000 0.195 149 K C 2.117 178.527 176.600 -0.317 0.000 1.036 149 K CA 2.505 58.498 56.287 -0.489 0.000 0.984 149 K CB -0.367 31.884 32.500 -0.415 0.000 0.788 149 K HN -0.477 7.840 8.250 0.112 0.000 0.488 150 N N -0.115 118.475 118.700 -0.184 0.000 2.173 150 N HA -0.134 4.518 4.740 -0.146 0.000 0.184 150 N C 1.736 177.145 175.510 -0.168 0.000 1.025 150 N CA 2.342 55.307 53.050 -0.142 0.000 0.852 150 N CB -0.025 38.422 38.487 -0.066 0.000 0.998 150 N HN -0.313 7.851 8.380 -0.116 0.147 0.427 151 T N 3.380 117.838 114.554 -0.159 0.000 2.668 151 T HA -0.180 4.114 4.350 -0.094 0.000 0.258 151 T C 1.696 176.273 174.700 -0.204 0.000 1.051 151 T CA 3.964 65.989 62.100 -0.125 0.000 1.155 151 T CB 0.368 69.219 68.868 -0.029 0.000 0.864 151 T HN 0.078 8.060 8.240 -0.133 0.178 0.413 152 E N 0.175 120.151 120.200 -0.373 0.000 2.354 152 E HA 0.116 4.305 4.350 -0.269 0.000 0.260 152 E C -0.543 175.704 176.600 -0.589 0.000 1.405 152 E CA -0.445 55.682 56.400 -0.456 0.000 1.728 152 E CB -1.307 28.083 29.700 -0.516 0.000 1.471 152 E HN -0.081 7.997 8.360 -0.471 0.000 0.441 153 K N -0.108 120.036 120.400 -0.426 0.000 2.186 153 K HA -0.084 3.946 4.320 -0.482 0.000 0.202 153 K C 0.577 177.013 176.600 -0.274 0.000 1.052 153 K CA 2.235 58.295 56.287 -0.379 0.000 0.965 153 K CB 0.458 32.788 32.500 -0.283 0.000 0.746 153 K HN -0.525 7.453 8.250 -0.327 0.076 0.457 154 E N -4.335 115.735 120.200 -0.217 0.000 2.489 154 E HA -0.037 4.231 4.350 -0.135 0.000 0.193 154 E C -1.010 175.507 176.600 -0.139 0.000 1.057 154 E CA -0.169 56.139 56.400 -0.154 0.000 0.866 154 E CB -0.274 29.348 29.700 -0.131 0.000 0.916 154 E HN -0.047 8.125 8.360 -0.231 0.048 0.500 155 N N -0.964 117.619 118.700 -0.195 0.000 2.646 155 N HA 0.057 4.730 4.740 -0.111 0.000 0.303 155 N C -1.836 173.436 175.510 -0.397 0.000 1.921 155 N CA -0.141 52.802 53.050 -0.178 0.000 0.872 155 N CB 1.202 39.662 38.487 -0.045 0.000 1.327 155 N HN -0.813 7.286 8.380 -0.271 0.119 0.492 156 A N 0.704 123.313 122.820 -0.352 0.000 2.478 156 A HA 0.199 4.185 4.320 -0.557 0.000 0.327 156 A C -1.187 176.277 177.584 -0.201 0.000 1.431 156 A CA -0.815 50.986 52.037 -0.393 0.000 1.014 156 A CB -0.033 18.730 19.000 -0.395 0.000 1.143 156 A HN -0.268 7.741 8.150 -0.236 0.000 0.532 157 T N 0.303 114.762 114.554 -0.158 0.000 2.912 157 T HA 0.188 4.557 4.350 0.032 0.000 0.288 157 T C 0.866 175.659 174.700 0.154 0.000 1.030 157 T CA -1.784 60.347 62.100 0.053 0.000 1.020 157 T CB 3.075 72.028 68.868 0.142 0.000 1.056 157 T HN -0.570 7.428 8.240 -0.403 0.000 0.480 158 V N 3.127 123.126 119.914 0.141 0.000 2.594 158 V HA -0.410 3.812 4.120 0.171 0.000 0.253 158 V C 1.128 177.326 176.094 0.174 0.000 1.069 158 V CA 3.436 65.827 62.300 0.152 0.000 1.082 158 V CB -0.528 31.360 31.823 0.109 0.000 0.680 158 V HN 0.537 8.789 8.190 0.103 0.000 0.469 159 A N -0.875 122.054 122.820 0.182 0.000 1.940 159 A HA -0.386 4.062 4.320 0.103 -0.066 0.219 159 A C 2.047 179.741 177.584 0.184 0.000 1.176 159 A CA 2.970 55.097 52.037 0.150 0.000 0.631 159 A CB -0.828 18.240 19.000 0.113 0.000 0.814 159 A HN 0.223 8.462 8.150 0.175 0.017 0.446 160 H N -1.490 117.654 119.070 0.124 0.000 2.319 160 H HA -0.344 4.280 4.556 0.114 0.000 0.297 160 H C 2.459 177.838 175.328 0.085 0.000 1.097 160 H CA 2.874 59.016 56.048 0.157 0.000 1.285 160 H CB -0.010 29.953 29.762 0.336 0.000 1.368 160 H HN -0.338 8.258 8.280 0.528 0.000 0.495 161 L N -1.234 120.141 121.223 0.253 0.000 2.179 161 L HA -0.181 4.108 4.340 -0.084 0.000 0.208 161 L C 1.634 178.532 176.870 0.046 0.000 1.096 161 L CA 2.311 57.203 54.840 0.085 0.000 0.779 161 L CB -0.213 41.957 42.059 0.184 0.000 0.922 161 L HN -0.684 7.750 8.230 0.340 0.000 0.443 162 V N 0.089 120.047 119.914 0.073 0.000 2.255 162 V HA -0.559 3.583 4.120 0.036 0.000 0.247 162 V C 2.085 178.183 176.094 0.007 0.000 1.051 162 V CA 4.895 67.220 62.300 0.042 0.000 1.018 162 V CB -1.016 30.837 31.823 0.051 0.000 0.641 162 V HN 0.456 8.714 8.190 0.114 0.000 0.445 163 G N -2.510 106.294 108.800 0.007 0.000 2.422 163 G HA2 -0.338 3.606 3.960 -0.027 0.000 0.218 163 G HA3 -0.338 3.609 3.960 -0.021 0.000 0.218 163 G C 0.565 175.428 174.900 -0.061 0.000 1.146 163 G CA 2.158 47.243 45.100 -0.024 0.000 0.769 163 G HN -0.228 8.080 8.290 0.030 0.000 0.547 164 A N 2.270 125.042 122.820 -0.080 0.000 1.873 164 A HA -0.168 4.052 4.320 -0.167 0.000 0.215 164 A C 1.729 179.208 177.584 -0.174 0.000 1.186 164 A CA 2.603 54.545 52.037 -0.159 0.000 0.616 164 A CB -0.805 18.047 19.000 -0.246 0.000 0.823 164 A HN -0.468 7.546 8.150 -0.044 0.109 0.442 165 L N -0.962 120.196 121.223 -0.109 0.000 1.990 165 L HA -0.540 3.738 4.340 -0.104 0.000 0.213 165 L C 1.943 178.751 176.870 -0.104 0.000 1.072 165 L CA 3.275 58.062 54.840 -0.087 0.000 0.755 165 L CB -0.042 42.003 42.059 -0.024 0.000 0.889 165 L HN 0.356 8.430 8.230 -0.073 0.112 0.432 166 R N -3.176 117.276 120.500 -0.080 0.000 2.127 166 R HA -0.432 3.870 4.340 -0.064 0.000 0.238 166 R C 2.781 179.020 176.300 -0.101 0.000 1.134 166 R CA 3.115 59.170 56.100 -0.074 0.000 0.975 166 R CB -0.335 29.934 30.300 -0.052 0.000 0.865 166 R HN -0.504 7.728 8.270 -0.062 0.000 0.447 167 S N -1.448 114.172 115.700 -0.133 0.000 2.382 167 S HA -0.296 4.100 4.470 -0.124 0.000 0.228 167 S C 1.088 175.561 174.600 -0.211 0.000 1.027 167 S CA 2.908 61.012 58.200 -0.160 0.000 0.991 167 S CB -0.013 63.082 63.200 -0.176 0.000 0.823 167 S HN -0.500 7.737 8.310 -0.122 0.000 0.469 168 C N -1.147 117.989 119.300 -0.274 0.000 2.481 168 C HA -0.164 4.080 4.460 -0.361 0.000 0.275 168 C C -0.644 174.233 174.990 -0.189 0.000 1.419 168 C CA 0.753 59.580 59.018 -0.318 0.000 1.773 168 C CB -0.676 26.793 27.740 -0.452 0.000 1.862 168 C HN -0.666 7.314 8.230 -0.274 0.085 0.530 169 Q N -3.545 116.175 119.800 -0.133 0.000 2.451 169 Q HA -0.329 4.061 4.340 -0.076 -0.096 0.284 169 Q C -1.932 174.029 176.000 -0.064 0.000 1.326 169 Q CA 0.876 56.627 55.803 -0.087 0.000 0.762 169 Q CB -1.733 26.957 28.738 -0.081 0.000 1.160 169 Q HN -0.449 7.602 8.270 -0.144 0.132 0.419 170 M N -0.395 119.171 119.600 -0.056 0.000 2.103 170 M HA 0.172 4.636 4.480 -0.028 0.000 0.350 170 M C -0.593 175.694 176.300 -0.023 0.000 1.100 170 M CA -1.789 53.492 55.300 -0.032 0.000 1.042 170 M CB -0.759 31.830 32.600 -0.019 0.000 1.368 170 M HN -0.493 7.760 8.290 -0.062 0.000 0.404 171 N N 4.507 123.196 118.700 -0.019 0.000 2.416 171 N HA -0.120 4.609 4.740 -0.017 0.000 0.177 171 N C 1.188 176.694 175.510 -0.007 0.000 1.036 171 N CA 2.115 55.156 53.050 -0.015 0.000 0.901 171 N CB 0.271 38.748 38.487 -0.016 0.000 0.976 171 N HN 0.695 9.064 8.380 -0.019 0.000 0.444 172 L N -2.384 118.837 121.223 -0.004 0.000 2.027 172 L HA -0.224 4.116 4.340 0.000 0.000 0.206 172 L C 2.076 178.949 176.870 0.005 0.000 1.074 172 L CA 2.878 57.718 54.840 0.000 0.000 0.745 172 L CB -0.600 41.460 42.059 0.001 0.000 0.898 172 L HN -0.229 7.947 8.230 -0.006 0.051 0.433 173 V N -5.962 113.956 119.914 0.006 0.000 2.970 173 V HA -0.301 3.828 4.120 0.015 0.000 0.260 173 V C 1.139 177.241 176.094 0.014 0.000 1.100 173 V CA 2.400 64.707 62.300 0.013 0.000 1.122 173 V CB -0.670 31.163 31.823 0.016 0.000 0.721 173 V HN -0.681 7.452 8.190 0.002 0.058 0.483 174 A N 1.814 124.637 122.820 0.006 0.000 1.858 174 A HA -0.405 3.920 4.320 0.007 0.000 0.216 174 A C 1.587 179.178 177.584 0.010 0.000 1.190 174 A CA 3.553 55.592 52.037 0.004 0.000 0.617 174 A CB -0.604 18.392 19.000 -0.006 0.000 0.827 174 A HN -0.506 7.512 8.150 0.000 0.133 0.443 175 D N -1.419 118.986 120.400 0.008 0.000 2.178 175 D HA -0.247 4.400 4.640 0.011 0.000 0.201 175 D C 2.275 178.585 176.300 0.016 0.000 0.980 175 D CA 3.158 57.164 54.000 0.011 0.000 0.842 175 D CB -0.381 40.423 40.800 0.007 0.000 0.948 175 D HN -0.700 7.673 8.370 0.005 0.000 0.472 176 L N 0.402 121.636 121.223 0.017 0.000 2.017 176 L HA -0.273 4.079 4.340 0.021 0.000 0.208 176 L C 1.712 178.600 176.870 0.030 0.000 1.073 176 L CA 3.149 58.003 54.840 0.022 0.000 0.745 176 L CB -0.110 41.962 42.059 0.022 0.000 0.894 176 L HN -0.844 7.395 8.230 0.014 0.000 0.432 177 V N -0.774 119.160 119.914 0.034 0.000 2.490 177 V HA -0.574 3.577 4.120 0.052 0.000 0.250 177 V C 1.990 178.110 176.094 0.043 0.000 1.061 177 V CA 4.675 67.002 62.300 0.045 0.000 1.064 177 V CB -0.240 31.613 31.823 0.050 0.000 0.670 177 V HN -0.085 8.123 8.190 0.029 0.000 0.461 178 Q N -0.411 119.409 119.800 0.033 0.000 2.124 178 Q HA -0.385 3.976 4.340 0.035 0.000 0.202 178 Q C 2.695 178.714 176.000 0.030 0.000 0.977 178 Q CA 3.802 59.623 55.803 0.030 0.000 0.850 178 Q CB -0.296 28.455 28.738 0.021 0.000 0.901 178 Q HN 0.207 8.494 8.270 0.027 0.000 0.429 179 E N -0.665 119.552 120.200 0.028 0.000 2.216 179 E HA -0.162 4.203 4.350 0.026 0.000 0.192 179 E C 2.491 179.110 176.600 0.032 0.000 0.988 179 E CA 1.878 58.295 56.400 0.027 0.000 0.834 179 E CB -0.485 29.229 29.700 0.023 0.000 0.772 179 E HN -0.576 7.800 8.360 0.026 0.000 0.479 180 V N 1.733 121.669 119.914 0.037 0.000 2.255 180 V HA -0.580 3.564 4.120 0.040 0.000 0.247 180 V C 1.788 177.910 176.094 0.046 0.000 1.051 180 V CA 4.600 66.926 62.300 0.044 0.000 1.018 180 V CB -0.142 31.713 31.823 0.052 0.000 0.641 180 V HN -0.245 7.966 8.190 0.036 0.000 0.445 181 Q N -1.327 118.503 119.800 0.049 0.000 2.020 181 Q HA -0.439 3.935 4.340 0.058 0.000 0.202 181 Q C 2.071 178.096 176.000 0.043 0.000 0.982 181 Q CA 3.614 59.447 55.803 0.051 0.000 0.838 181 Q CB -0.184 28.586 28.738 0.053 0.000 0.899 181 Q HN -0.035 8.265 8.270 0.049 0.000 0.423 182 Q N -0.533 119.289 119.800 0.036 0.000 2.050 182 Q HA -0.322 4.037 4.340 0.032 0.000 0.202 182 Q C 2.393 178.411 176.000 0.030 0.000 0.980 182 Q CA 3.105 58.926 55.803 0.031 0.000 0.840 182 Q CB -0.105 28.649 28.738 0.026 0.000 0.898 182 Q HN 0.022 8.206 8.270 0.035 0.107 0.424 183 A N -1.627 121.211 122.820 0.029 0.000 1.930 183 A HA -0.234 4.102 4.320 0.025 0.000 0.217 183 A C 2.127 179.730 177.584 0.031 0.000 1.175 183 A CA 2.769 54.823 52.037 0.028 0.000 0.627 183 A CB -0.724 18.291 19.000 0.026 0.000 0.815 183 A HN -0.267 7.900 8.150 0.029 0.000 0.443 184 R N -1.634 118.887 120.500 0.035 0.000 2.062 184 R HA -0.296 4.065 4.340 0.035 0.000 0.231 184 R C 2.008 178.332 176.300 0.039 0.000 1.136 184 R CA 2.508 58.630 56.100 0.038 0.000 0.948 184 R CB -0.591 29.734 30.300 0.042 0.000 0.845 184 R HN -0.606 7.686 8.270 0.037 0.000 0.430 185 D N -0.427 119.998 120.400 0.042 0.000 2.116 185 D HA -0.281 4.387 4.640 0.045 0.000 0.193 185 D C 2.581 178.904 176.300 0.038 0.000 0.998 185 D CA 3.464 57.489 54.000 0.043 0.000 0.836 185 D CB -0.334 40.493 40.800 0.045 0.000 0.951 185 D HN 0.055 8.451 8.370 0.044 0.000 0.449 186 L N -0.599 120.644 121.223 0.033 0.000 2.017 186 L HA -0.404 3.954 4.340 0.030 0.000 0.208 186 L C 1.712 178.599 176.870 0.029 0.000 1.073 186 L CA 3.741 58.598 54.840 0.030 0.000 0.745 186 L CB 0.055 42.129 42.059 0.025 0.000 0.894 186 L HN -0.673 7.578 8.230 0.034 0.000 0.432 187 Q N -2.603 117.215 119.800 0.029 0.000 2.123 187 Q HA -0.352 4.003 4.340 0.026 0.000 0.199 187 Q C 2.695 178.715 176.000 0.032 0.000 0.966 187 Q CA 3.577 59.397 55.803 0.028 0.000 0.845 187 Q CB -0.132 28.622 28.738 0.027 0.000 0.907 187 Q HN -0.504 7.784 8.270 0.030 0.000 0.439 188 N N -2.042 116.680 118.700 0.036 0.000 2.333 188 N HA -0.173 4.591 4.740 0.039 0.000 0.178 188 N C 1.107 176.645 175.510 0.047 0.000 1.018 188 N CA 2.183 55.257 53.050 0.041 0.000 0.882 188 N CB 0.329 38.840 38.487 0.041 0.000 0.984 188 N HN -0.493 7.909 8.380 0.036 0.000 0.434 189 R N -1.865 118.663 120.500 0.046 0.000 2.148 189 R HA -0.120 4.254 4.340 0.056 0.000 0.227 189 R C 1.959 178.287 176.300 0.048 0.000 1.103 189 R CA 1.833 57.963 56.100 0.049 0.000 0.983 189 R CB 0.098 30.425 30.300 0.045 0.000 0.874 189 R HN -0.057 8.239 8.270 0.042 0.000 0.451 190 S N -0.911 114.813 115.700 0.040 0.000 2.383 190 S HA -0.213 4.276 4.470 0.032 0.000 0.229 190 S C 0.207 174.831 174.600 0.040 0.000 1.030 190 S CA 2.909 61.130 58.200 0.035 0.000 1.002 190 S CB 0.537 63.754 63.200 0.028 0.000 0.829 190 S HN -0.589 7.723 8.310 0.038 0.021 0.467 191 G N 0.000 108.831 108.800 0.051 0.000 5.446 191 G HA2 0.000 nan 3.960 nan 0.000 0.244 191 G HA3 0.000 3.994 3.960 0.056 0.000 0.244 191 G CA 0.000 45.142 45.100 0.070 0.000 0.502 191 G HN 0.000 8.319 8.290 0.048 0.000 0.925