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 2jss_1_A DATA FIRST_RESID 1 DATA SEQUENCE RKETYSSYIY KVLKQTHPDT GISQKSMSIL NSFVNDIFER IATEASKLAA DATA SEQUENCE YNKKSTISAR EIQTAVRLIL PGELAKHAVS EGTRAVTKYS SSTQAQSSSA DATA SEQUENCE RAGLQFPVGR IKRYLKRHAT GRTRVGSKAA IYLTAVLEYL TAEVLELAGN DATA SEQUENCE AAKDLKVKRI TPRHLQLAIR GDDELDSLIR ATIASGGVLP HI 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 R HA 0.000 4.342 4.340 0.003 0.000 0.208 1 R C 0.000 176.288 176.300 -0.019 0.000 0.893 1 R CA 0.000 56.098 56.100 -0.004 0.000 0.921 1 R CB 0.000 30.303 30.300 0.004 0.000 0.687 2 K N -0.655 119.731 120.400 -0.023 0.000 2.363 2 K HA -0.237 4.069 4.320 -0.023 0.000 0.156 2 K C 0.175 176.756 176.600 -0.032 0.000 0.818 2 K CA 2.125 58.393 56.287 -0.031 0.000 0.554 2 K CB -0.879 31.592 32.500 -0.047 0.000 0.683 2 K HN 0.107 8.346 8.250 -0.018 0.000 0.838 3 E N -0.336 119.832 120.200 -0.053 0.000 2.444 3 E HA 0.114 4.447 4.350 -0.027 0.000 0.209 3 E C -0.805 175.750 176.600 -0.075 0.000 0.806 3 E CA -0.085 56.285 56.400 -0.050 0.000 1.240 3 E CB 1.254 30.925 29.700 -0.048 0.000 1.238 3 E HN 0.230 8.546 8.360 -0.073 0.000 0.591 4 T N -2.101 112.357 114.554 -0.160 0.000 0.541 4 T HA -0.325 3.714 4.350 -0.518 0.000 0.774 4 T C -0.021 174.512 174.700 -0.278 0.000 0.992 4 T CA 1.682 63.610 62.100 -0.287 0.000 4.077 4 T CB -0.883 67.935 68.868 -0.082 0.000 2.303 4 T HN -0.125 8.018 8.240 -0.161 0.000 0.398 5 Y N -1.230 119.101 120.300 0.052 0.000 2.550 5 Y HA -0.079 4.489 4.550 0.029 0.000 0.351 5 Y C 1.468 177.405 175.900 0.062 0.000 1.160 5 Y CA -0.234 57.881 58.100 0.024 0.000 1.337 5 Y CB -2.256 36.172 38.460 -0.053 0.000 1.196 5 Y HN 0.386 8.455 8.280 -0.351 0.000 0.498 6 S N 1.803 117.591 115.700 0.148 0.000 2.377 6 S HA -0.461 4.101 4.470 0.153 0.000 0.224 6 S C 1.911 176.643 174.600 0.220 0.000 1.042 6 S CA 4.176 62.478 58.200 0.171 0.000 1.086 6 S CB -0.589 62.703 63.200 0.153 0.000 0.995 6 S HN -0.647 7.548 8.310 0.068 0.155 0.428 7 S N 3.093 118.849 115.700 0.094 0.000 2.426 7 S HA -0.393 4.116 4.470 0.064 0.000 0.220 7 S C 1.958 176.540 174.600 -0.031 0.000 1.040 7 S CA 3.339 61.517 58.200 -0.038 0.000 1.094 7 S CB -0.435 62.571 63.200 -0.324 0.000 1.072 7 S HN 0.369 8.701 8.310 0.038 0.000 0.415 8 Y N -0.003 120.318 120.300 0.034 0.000 2.132 8 Y HA -0.373 4.194 4.550 0.028 0.000 0.280 8 Y C 2.620 178.580 175.900 0.100 0.000 1.193 8 Y CA 2.825 60.929 58.100 0.007 0.000 1.157 8 Y CB -0.765 37.583 38.460 -0.187 0.000 0.966 8 Y HN -0.298 7.717 8.280 -0.441 0.000 0.511 9 I N -0.435 120.298 120.570 0.271 0.000 2.163 9 I HA -0.664 3.689 4.170 0.306 0.000 0.243 9 I C 1.922 178.133 176.117 0.157 0.000 1.085 9 I CA 4.407 65.848 61.300 0.236 0.000 1.347 9 I CB -0.124 37.987 38.000 0.185 0.000 1.044 9 I HN 0.167 8.530 8.210 0.256 0.001 0.408 10 Y N -2.347 118.002 120.300 0.083 0.000 2.283 10 Y HA -0.509 4.072 4.550 0.053 0.000 0.285 10 Y C 2.079 178.006 175.900 0.045 0.000 1.176 10 Y CA 3.469 61.596 58.100 0.045 0.000 1.229 10 Y CB -0.459 38.002 38.460 0.001 0.000 0.975 10 Y HN 0.731 8.971 8.280 0.242 0.185 0.537 11 K N -3.392 117.142 120.400 0.223 0.000 2.211 11 K HA -0.045 4.363 4.320 0.146 0.000 0.201 11 K C 1.572 178.258 176.600 0.143 0.000 1.052 11 K CA 0.382 56.767 56.287 0.163 0.000 0.973 11 K CB -0.269 32.322 32.500 0.152 0.000 0.766 11 K HN -0.090 8.095 8.250 0.222 0.198 0.466 12 V N -0.375 119.635 119.914 0.160 0.000 3.541 12 V HA -0.110 4.067 4.120 0.095 0.000 0.267 12 V C 1.561 177.698 176.094 0.071 0.000 1.213 12 V CA 1.497 63.869 62.300 0.120 0.000 1.149 12 V CB -0.646 31.278 31.823 0.167 0.000 0.822 12 V HN 0.320 8.475 8.190 0.193 0.151 0.462 13 L N 2.336 123.602 121.223 0.072 0.000 2.168 13 L HA 0.068 4.423 4.340 0.024 0.000 0.203 13 L C 1.607 178.516 176.870 0.065 0.000 1.078 13 L CA 2.690 57.548 54.840 0.031 0.000 0.780 13 L CB 0.133 42.148 42.059 -0.074 0.000 0.939 13 L HN 0.671 8.782 8.230 0.104 0.181 0.451 14 K N -1.809 118.650 120.400 0.098 0.000 2.116 14 K HA -0.057 4.484 4.320 0.100 -0.161 0.203 14 K C 2.201 178.835 176.600 0.055 0.000 1.052 14 K CA 1.955 58.299 56.287 0.095 0.000 0.952 14 K CB -0.383 32.184 32.500 0.112 0.000 0.729 14 K HN -0.624 7.701 8.250 0.124 0.000 0.446 15 Q N -2.992 116.832 119.800 0.040 0.000 2.016 15 Q HA -0.154 4.190 4.340 0.007 0.000 0.200 15 Q C 2.205 178.161 176.000 -0.074 0.000 0.978 15 Q CA 2.011 57.816 55.803 0.003 0.000 0.833 15 Q CB -0.194 28.556 28.738 0.020 0.000 0.895 15 Q HN -0.475 7.832 8.270 0.061 0.000 0.427 16 T N -4.004 110.489 114.554 -0.101 0.000 2.737 16 T HA -0.361 3.802 4.350 -0.312 0.000 0.269 16 T C 0.732 175.037 174.700 -0.657 0.000 1.040 16 T CA 2.462 64.383 62.100 -0.298 0.000 1.142 16 T CB 0.422 69.191 68.868 -0.165 0.000 0.861 16 T HN -0.531 7.572 8.240 -0.035 0.116 0.456 17 H N -2.520 116.558 119.070 0.013 0.000 3.123 17 H HA 0.322 4.883 4.556 0.007 0.000 0.346 17 H C -2.209 173.128 175.328 0.015 0.000 1.138 17 H CA -1.388 54.664 56.048 0.007 0.000 1.273 17 H CB 2.550 32.307 29.762 -0.008 0.000 1.926 17 H HN -0.732 7.459 8.280 -0.003 0.087 0.524 18 P HA 0.087 4.634 4.420 0.085 -0.076 0.231 18 P C -0.973 176.374 177.300 0.079 0.000 1.168 18 P CA 0.906 64.061 63.100 0.092 0.000 0.779 18 P CB 0.528 32.270 31.700 0.070 0.000 0.844 19 D N 1.419 121.863 120.400 0.075 0.000 2.514 19 D HA 0.279 4.939 4.640 0.034 0.000 0.267 19 D C -1.960 174.347 176.300 0.012 0.000 1.165 19 D CA -0.350 53.669 54.000 0.031 0.000 0.958 19 D CB -0.949 39.852 40.800 0.000 0.000 0.992 19 D HN 0.134 8.522 8.370 0.104 0.045 0.506 20 T N 0.352 114.924 114.554 0.030 0.000 3.305 20 T HA 0.221 4.778 4.350 -0.035 -0.228 0.309 20 T C -0.049 174.644 174.700 -0.012 0.000 0.889 20 T CA -0.587 61.512 62.100 -0.000 0.000 1.386 20 T CB 1.322 70.211 68.868 0.034 0.000 0.929 20 T HN -0.602 7.669 8.240 0.052 0.000 0.538 21 G N 0.660 109.456 108.800 -0.006 0.000 2.848 21 G HA2 -0.056 3.935 3.960 0.051 0.000 0.208 21 G HA3 -0.056 3.926 3.960 0.036 0.000 0.208 21 G C -0.562 174.303 174.900 -0.058 0.000 1.152 21 G CA -0.615 44.490 45.100 0.009 0.000 0.789 21 G HN -0.052 8.233 8.290 -0.009 0.000 0.531 22 I N -2.083 118.442 120.570 -0.076 0.000 4.410 22 I HA -0.453 3.671 4.170 -0.077 0.000 0.126 22 I C -1.638 174.447 176.117 -0.054 0.000 1.090 22 I CA 0.620 61.870 61.300 -0.083 0.000 2.691 22 I CB 0.800 38.728 38.000 -0.119 0.000 1.633 22 I HN -0.555 7.522 8.210 -0.064 0.094 0.332 23 S N 6.805 122.485 115.700 -0.033 0.000 2.549 23 S HA -0.032 4.437 4.470 -0.000 0.000 0.283 23 S C 1.285 175.885 174.600 0.001 0.000 1.320 23 S CA -0.137 58.059 58.200 -0.006 0.000 1.058 23 S CB 1.482 64.688 63.200 0.009 0.000 0.882 23 S HN -0.228 8.058 8.310 -0.041 0.000 0.498 24 Q N 6.209 126.017 119.800 0.014 0.000 2.029 24 Q HA -0.429 3.923 4.340 0.020 0.000 0.209 24 Q C 2.170 178.187 176.000 0.029 0.000 0.999 24 Q CA 3.666 59.483 55.803 0.023 0.000 0.857 24 Q CB -0.404 28.352 28.738 0.031 0.000 0.926 24 Q HN 0.649 8.930 8.270 0.017 0.000 0.415 25 K N -1.637 118.782 120.400 0.031 0.000 2.103 25 K HA -0.234 4.112 4.320 0.043 0.000 0.207 25 K C 2.402 179.027 176.600 0.042 0.000 1.048 25 K CA 2.394 58.704 56.287 0.038 0.000 0.930 25 K CB -0.636 31.885 32.500 0.035 0.000 0.716 25 K HN -0.245 8.022 8.250 0.029 0.000 0.444 26 S N -0.751 114.968 115.700 0.032 0.000 2.440 26 S HA -0.252 4.240 4.470 0.037 0.000 0.238 26 S C 1.422 176.046 174.600 0.040 0.000 1.010 26 S CA 3.485 61.703 58.200 0.031 0.000 0.972 26 S CB -0.569 62.639 63.200 0.014 0.000 0.774 26 S HN -0.521 7.720 8.310 0.026 0.085 0.501 27 M N 0.046 119.668 119.600 0.036 0.000 2.506 27 M HA -0.104 4.411 4.480 0.058 0.000 0.260 27 M C 1.493 177.849 176.300 0.094 0.000 1.104 27 M CA 2.095 57.427 55.300 0.053 0.000 1.112 27 M CB -0.175 32.439 32.600 0.023 0.000 1.401 27 M HN -0.107 8.019 8.290 0.027 0.181 0.473 28 S N 1.294 117.043 115.700 0.081 0.000 2.421 28 S HA -0.116 4.418 4.470 0.106 0.000 0.224 28 S C 1.796 176.463 174.600 0.112 0.000 1.035 28 S CA 3.214 61.470 58.200 0.093 0.000 0.953 28 S CB 0.126 63.367 63.200 0.068 0.000 0.810 28 S HN 0.148 8.322 8.310 0.063 0.173 0.497 29 I N 3.174 123.802 120.570 0.097 0.000 2.202 29 I HA -0.391 3.845 4.170 0.110 0.000 0.242 29 I C 1.880 178.095 176.117 0.162 0.000 1.091 29 I CA 4.377 65.741 61.300 0.106 0.000 1.368 29 I CB 0.008 38.047 38.000 0.065 0.000 1.058 29 I HN 0.763 8.909 8.210 0.078 0.110 0.410 30 L N -1.276 120.038 121.223 0.151 0.000 1.976 30 L HA -0.490 4.022 4.340 0.287 0.000 0.209 30 L C 1.573 178.591 176.870 0.247 0.000 1.071 30 L CA 4.512 59.482 54.840 0.218 0.000 0.746 30 L CB -0.595 41.555 42.059 0.152 0.000 0.890 30 L HN -0.165 8.132 8.230 0.111 0.000 0.432 31 N N -1.941 116.894 118.700 0.224 0.000 2.094 31 N HA -0.419 4.519 4.740 0.330 0.000 0.191 31 N C 2.510 178.183 175.510 0.273 0.000 1.023 31 N CA 3.264 56.498 53.050 0.306 0.000 0.857 31 N CB -0.346 38.336 38.487 0.325 0.000 1.013 31 N HN -0.456 7.933 8.380 0.192 0.106 0.426 32 S N -0.106 115.722 115.700 0.214 0.000 2.383 32 S HA -0.288 4.287 4.470 0.176 0.000 0.227 32 S C 1.989 176.707 174.600 0.197 0.000 1.026 32 S CA 3.186 61.497 58.200 0.185 0.000 0.981 32 S CB -0.156 63.134 63.200 0.150 0.000 0.818 32 S HN 0.331 8.537 8.310 0.195 0.221 0.472 33 F N 4.225 124.220 119.950 0.074 0.000 2.022 33 F HA -0.306 4.247 4.527 0.043 0.000 0.293 33 F C 1.297 177.130 175.800 0.055 0.000 1.142 33 F CA 3.000 61.026 58.000 0.044 0.000 1.177 33 F CB -0.159 38.846 39.000 0.008 0.000 0.982 33 F HN 0.569 8.846 8.300 0.332 0.221 0.473 34 V N 0.148 119.837 119.914 -0.375 0.000 2.363 34 V HA -0.574 3.063 4.120 -0.806 0.000 0.254 34 V C 2.265 178.238 176.094 -0.201 0.000 1.074 34 V CA 4.546 66.566 62.300 -0.466 0.000 1.069 34 V CB -0.823 30.842 31.823 -0.264 0.000 0.659 34 V HN 0.774 8.890 8.190 0.056 0.107 0.455 35 N N -1.270 117.452 118.700 0.036 0.000 2.290 35 N HA -0.169 4.760 4.740 0.315 0.000 0.179 35 N C 1.949 177.566 175.510 0.178 0.000 1.016 35 N CA 2.945 56.130 53.050 0.226 0.000 0.871 35 N CB 0.108 38.768 38.487 0.288 0.000 0.987 35 N HN 0.093 8.296 8.380 0.078 0.224 0.431 36 D N 1.355 121.792 120.400 0.062 0.000 2.137 36 D HA -0.113 4.562 4.640 0.060 0.000 0.202 36 D C 2.117 178.388 176.300 -0.049 0.000 0.970 36 D CA 3.617 57.640 54.000 0.040 0.000 0.837 36 D CB 0.007 40.859 40.800 0.087 0.000 0.981 36 D HN 0.434 8.597 8.370 0.046 0.235 0.475 37 I N -0.464 119.971 120.570 -0.225 0.000 2.493 37 I HA -0.384 3.713 4.170 -0.122 0.000 0.254 37 I C 0.273 176.292 176.117 -0.164 0.000 1.160 37 I CA 3.094 64.233 61.300 -0.268 0.000 1.445 37 I CB 0.072 37.683 38.000 -0.648 0.000 1.086 37 I HN 0.806 8.635 8.210 -0.395 0.144 0.433 38 F N 1.384 121.202 119.950 -0.220 0.000 2.186 38 F HA -0.385 4.069 4.527 -0.122 0.000 0.299 38 F C 0.683 176.434 175.800 -0.083 0.000 1.090 38 F CA 3.386 61.316 58.000 -0.117 0.000 1.307 38 F CB -0.087 38.892 39.000 -0.035 0.000 1.019 38 F HN -0.665 7.514 8.300 0.004 0.123 0.489 39 E N -0.199 119.789 120.200 -0.352 0.000 2.033 39 E HA -0.415 3.456 4.350 -0.797 0.000 0.189 39 E C 2.452 178.867 176.600 -0.309 0.000 0.979 39 E CA 3.003 59.130 56.400 -0.455 0.000 0.802 39 E CB -0.021 29.555 29.700 -0.205 0.000 0.763 39 E HN -0.674 7.545 8.360 -0.050 0.111 0.449 40 R N -1.515 118.882 120.500 -0.171 0.000 2.134 40 R HA -0.343 3.944 4.340 -0.089 0.000 0.248 40 R C 2.696 178.919 176.300 -0.129 0.000 1.143 40 R CA 3.092 59.126 56.100 -0.110 0.000 0.957 40 R CB -0.526 29.743 30.300 -0.052 0.000 0.867 40 R HN 0.372 8.454 8.270 -0.130 0.110 0.441 41 I N -0.807 119.668 120.570 -0.158 0.000 2.130 41 I HA -0.343 3.780 4.170 -0.077 0.000 0.232 41 I C 1.325 177.333 176.117 -0.181 0.000 1.064 41 I CA 3.707 64.930 61.300 -0.128 0.000 1.338 41 I CB -0.147 37.799 38.000 -0.089 0.000 1.084 41 I HN -0.361 7.740 8.210 -0.180 0.002 0.404 42 A N -1.681 120.949 122.820 -0.316 0.000 2.204 42 A HA -0.357 3.845 4.320 -0.198 0.000 0.220 42 A C 2.348 179.777 177.584 -0.258 0.000 1.165 42 A CA 3.017 54.852 52.037 -0.337 0.000 0.671 42 A CB -1.128 17.463 19.000 -0.682 0.000 0.792 42 A HN -0.247 7.663 8.150 -0.401 0.000 0.473 43 T N 1.437 115.845 114.554 -0.243 0.000 2.814 43 T HA -0.148 4.123 4.350 -0.131 0.000 0.254 43 T C 2.036 176.681 174.700 -0.091 0.000 1.037 43 T CA 4.333 66.343 62.100 -0.151 0.000 1.143 43 T CB 0.061 68.847 68.868 -0.136 0.000 0.866 43 T HN 0.392 8.209 8.240 -0.267 0.263 0.431 44 E N 2.143 122.289 120.200 -0.091 0.000 2.077 44 E HA -0.371 3.934 4.350 -0.075 0.000 0.193 44 E C 1.983 178.548 176.600 -0.059 0.000 0.989 44 E CA 3.184 59.541 56.400 -0.072 0.000 0.800 44 E CB -0.148 29.515 29.700 -0.062 0.000 0.746 44 E HN -0.499 7.797 8.360 -0.105 0.000 0.452 45 A N -0.775 122.009 122.820 -0.061 0.000 1.883 45 A HA -0.244 4.055 4.320 -0.034 0.000 0.217 45 A C 1.712 179.283 177.584 -0.023 0.000 1.186 45 A CA 3.236 55.248 52.037 -0.042 0.000 0.624 45 A CB -0.379 18.594 19.000 -0.046 0.000 0.822 45 A HN 0.691 8.682 8.150 -0.080 0.112 0.444 46 S N -3.747 111.937 115.700 -0.027 0.000 2.507 46 S HA -0.225 4.259 4.470 0.024 0.000 0.235 46 S C 1.682 176.303 174.600 0.034 0.000 0.988 46 S CA 2.583 60.789 58.200 0.011 0.000 0.944 46 S CB -0.457 62.752 63.200 0.015 0.000 0.762 46 S HN -0.303 7.854 8.310 -0.058 0.118 0.526 47 K N 2.460 122.859 120.400 -0.001 0.000 2.063 47 K HA -0.020 4.325 4.320 0.043 0.000 0.204 47 K C 1.411 178.004 176.600 -0.012 0.000 1.039 47 K CA 2.099 58.376 56.287 -0.018 0.000 0.957 47 K CB 0.069 32.509 32.500 -0.101 0.000 0.764 47 K HN -0.715 7.366 8.250 -0.028 0.152 0.447 48 L N -4.274 116.927 121.223 -0.037 0.000 2.633 48 L HA -0.036 4.288 4.340 -0.028 0.000 0.235 48 L C 1.204 178.103 176.870 0.048 0.000 1.163 48 L CA 2.321 57.154 54.840 -0.011 0.000 0.859 48 L CB -0.987 41.056 42.059 -0.027 0.000 0.973 48 L HN 0.416 8.510 8.230 -0.048 0.107 0.451 49 A N -1.794 121.060 122.820 0.057 0.000 2.035 49 A HA 0.106 4.455 4.320 0.049 0.000 0.208 49 A C 1.163 178.804 177.584 0.096 0.000 1.206 49 A CA 1.450 53.524 52.037 0.060 0.000 0.773 49 A CB -0.186 18.835 19.000 0.035 0.000 0.878 49 A HN -0.311 7.850 8.150 0.045 0.016 0.469 50 A N -0.925 121.984 122.820 0.148 0.000 2.014 50 A HA -0.174 4.199 4.320 0.089 0.000 0.218 50 A C 1.415 179.104 177.584 0.176 0.000 1.163 50 A CA 2.137 54.270 52.037 0.161 0.000 0.652 50 A CB -0.211 18.911 19.000 0.203 0.000 0.808 50 A HN -0.426 7.620 8.150 0.149 0.193 0.449 51 Y N -3.121 117.179 120.300 0.001 0.000 2.397 51 Y HA -0.132 4.419 4.550 0.001 0.000 0.292 51 Y C 1.521 177.420 175.900 -0.001 0.000 1.115 51 Y CA 1.647 59.747 58.100 0.000 0.000 1.208 51 Y CB 0.184 38.644 38.460 -0.001 0.000 1.046 51 Y HN -0.317 8.193 8.280 0.426 0.026 0.552 52 N N -3.989 114.803 118.700 0.152 0.000 2.467 52 N HA -0.039 4.745 4.740 0.074 0.000 0.184 52 N C -0.758 174.777 175.510 0.042 0.000 1.106 52 N CA 0.792 53.889 53.050 0.077 0.000 0.892 52 N CB 0.314 38.836 38.487 0.058 0.000 0.969 52 N HN -0.487 7.911 8.380 0.170 0.084 0.454 53 K N -5.166 115.257 120.400 0.037 0.000 3.495 53 K HA -0.394 3.933 4.320 0.011 0.000 0.315 53 K C 0.227 176.838 176.600 0.018 0.000 1.301 53 K CA 1.751 58.048 56.287 0.016 0.000 0.985 53 K CB -2.332 30.169 32.500 0.001 0.000 1.244 53 K HN -0.342 7.770 8.250 0.057 0.172 0.433 54 K N -2.392 118.022 120.400 0.024 0.000 2.059 54 K HA -0.304 4.023 4.320 0.012 0.000 0.212 54 K C 1.788 178.398 176.600 0.016 0.000 1.050 54 K CA 2.254 58.551 56.287 0.017 0.000 0.927 54 K CB 0.114 32.623 32.500 0.015 0.000 0.714 54 K HN -0.150 7.995 8.250 0.033 0.125 0.447 55 S N -3.968 111.746 115.700 0.023 0.000 1.885 55 S HA -0.351 4.138 4.470 0.031 0.000 0.220 55 S C -0.533 174.080 174.600 0.022 0.000 0.988 55 S CA 3.039 61.254 58.200 0.025 0.000 1.627 55 S CB -0.960 62.252 63.200 0.020 0.000 2.182 55 S HN -0.299 8.033 8.310 0.030 -0.003 0.556 56 T N 4.592 119.155 114.554 0.015 0.000 2.933 56 T HA -0.224 4.136 4.350 0.017 0.000 0.263 56 T C -0.822 173.882 174.700 0.007 0.000 0.925 56 T CA 1.260 63.367 62.100 0.012 0.000 1.156 56 T CB -0.299 68.573 68.868 0.006 0.000 0.916 56 T HN 0.338 8.451 8.240 0.013 0.134 0.601 57 I N 8.288 128.866 120.570 0.013 0.000 2.573 57 I HA -0.297 3.942 4.170 -0.004 -0.072 0.295 57 I C -0.990 175.120 176.117 -0.011 0.000 1.141 57 I CA -0.468 60.834 61.300 0.003 0.000 1.364 57 I CB -2.568 35.443 38.000 0.018 0.000 1.447 57 I HN -0.111 8.112 8.210 0.022 0.000 0.571 58 S N 6.834 122.513 115.700 -0.035 0.000 2.745 58 S HA 0.239 4.683 4.470 -0.044 0.000 0.292 58 S C 0.852 175.370 174.600 -0.137 0.000 1.133 58 S CA -1.121 57.041 58.200 -0.063 0.000 0.998 58 S CB 2.006 65.172 63.200 -0.056 0.000 1.087 58 S HN 0.512 9.384 8.310 -0.034 -0.583 0.551 59 A N 2.665 125.358 122.820 -0.211 0.000 1.986 59 A HA -0.219 3.742 4.320 -0.624 -0.016 0.220 59 A C 1.829 179.152 177.584 -0.434 0.000 1.171 59 A CA 3.077 54.824 52.037 -0.483 0.000 0.640 59 A CB -0.421 18.272 19.000 -0.512 0.000 0.811 59 A HN 0.660 8.718 8.150 -0.152 0.000 0.451 60 R N -3.462 116.899 120.500 -0.232 0.000 2.148 60 R HA -0.214 4.027 4.340 -0.165 0.000 0.227 60 R C 2.860 179.093 176.300 -0.113 0.000 1.103 60 R CA 2.743 58.751 56.100 -0.154 0.000 0.983 60 R CB -0.816 29.429 30.300 -0.093 0.000 0.874 60 R HN 0.344 8.482 8.270 -0.181 0.023 0.451 61 E N -0.125 120.014 120.200 -0.102 0.000 2.046 61 E HA -0.168 4.155 4.350 -0.046 0.000 0.190 61 E C 2.468 179.034 176.600 -0.057 0.000 0.982 61 E CA 3.243 59.606 56.400 -0.062 0.000 0.800 61 E CB -0.082 29.592 29.700 -0.043 0.000 0.756 61 E HN -0.120 8.024 8.360 -0.115 0.147 0.449 62 I N -3.682 116.844 120.570 -0.074 0.000 2.546 62 I HA -0.288 3.879 4.170 -0.004 0.000 0.255 62 I C 1.441 177.577 176.117 0.032 0.000 1.163 62 I CA 2.822 64.115 61.300 -0.011 0.000 1.457 62 I CB -1.278 36.749 38.000 0.044 0.000 1.092 62 I HN -0.674 7.470 8.210 -0.111 0.000 0.434 63 Q N 1.254 121.011 119.800 -0.072 0.000 2.020 63 Q HA -0.348 4.141 4.340 0.248 0.000 0.202 63 Q C 2.307 178.331 176.000 0.041 0.000 0.982 63 Q CA 3.947 59.769 55.803 0.031 0.000 0.838 63 Q CB -0.020 28.664 28.738 -0.091 0.000 0.899 63 Q HN 0.512 8.463 8.270 -0.199 0.200 0.423 64 T N -0.138 114.413 114.554 -0.005 0.000 2.607 64 T HA -0.489 3.866 4.350 0.007 0.000 0.267 64 T C 1.655 176.360 174.700 0.009 0.000 1.049 64 T CA 3.894 65.994 62.100 0.000 0.000 1.162 64 T CB -0.625 68.234 68.868 -0.015 0.000 0.863 64 T HN -0.432 7.787 8.240 -0.036 0.000 0.424 65 A N 2.702 125.522 122.820 0.001 0.000 1.869 65 A HA -0.355 4.079 4.320 -0.012 -0.122 0.218 65 A C 2.271 179.867 177.584 0.021 0.000 1.203 65 A CA 3.043 55.079 52.037 -0.002 0.000 0.638 65 A CB -0.917 18.072 19.000 -0.018 0.000 0.831 65 A HN -0.438 7.707 8.150 -0.009 0.000 0.450 66 V N -0.619 119.326 119.914 0.052 0.000 2.313 66 V HA -0.534 3.622 4.120 0.059 0.000 0.253 66 V C 2.639 178.771 176.094 0.064 0.000 1.070 66 V CA 4.393 66.738 62.300 0.075 0.000 1.057 66 V CB -0.551 31.357 31.823 0.140 0.000 0.653 66 V HN 0.475 8.583 8.190 0.062 0.119 0.450 67 R N -2.714 117.821 120.500 0.058 0.000 2.115 67 R HA -0.226 4.145 4.340 0.052 0.000 0.230 67 R C 2.141 178.459 176.300 0.029 0.000 1.111 67 R CA 2.365 58.492 56.100 0.045 0.000 0.976 67 R CB -0.122 30.200 30.300 0.037 0.000 0.870 67 R HN 0.240 8.338 8.270 0.060 0.209 0.445 68 L N -3.372 117.863 121.223 0.019 0.000 2.375 68 L HA -0.077 4.268 4.340 0.009 0.000 0.215 68 L C 1.315 178.192 176.870 0.011 0.000 1.108 68 L CA 1.406 56.251 54.840 0.009 0.000 0.830 68 L CB 0.341 42.398 42.059 -0.005 0.000 0.959 68 L HN 0.100 8.098 8.230 0.019 0.244 0.457 69 I N -2.786 117.794 120.570 0.017 0.000 2.272 69 I HA -0.247 3.930 4.170 0.012 0.000 0.235 69 I C 0.462 176.601 176.117 0.035 0.000 1.071 69 I CA 0.435 61.746 61.300 0.020 0.000 1.374 69 I CB 0.356 38.366 38.000 0.017 0.000 1.121 69 I HN 0.111 8.091 8.210 0.021 0.243 0.420 70 L N -0.871 120.382 121.223 0.050 0.000 2.455 70 L HA -0.014 4.366 4.340 0.065 0.000 0.272 70 L C -1.094 175.807 176.870 0.051 0.000 1.174 70 L CA -1.082 53.796 54.840 0.063 0.000 0.869 70 L CB -0.596 41.517 42.059 0.090 0.000 1.130 70 L HN -0.513 7.748 8.230 0.051 0.000 0.474 71 P HA -0.239 4.196 4.420 0.024 0.000 0.219 71 P C -0.297 177.024 177.300 0.035 0.000 1.149 71 P CA 1.281 64.400 63.100 0.032 0.000 0.835 71 P CB 0.435 32.151 31.700 0.025 0.000 0.778 72 G N -5.574 103.256 108.800 0.050 0.000 3.532 72 G HA2 -0.263 3.727 3.960 0.049 0.000 0.196 72 G HA3 -0.263 3.720 3.960 0.038 0.000 0.196 72 G C -0.505 174.433 174.900 0.063 0.000 2.074 72 G CA -0.255 44.875 45.100 0.049 0.000 1.323 72 G HN -0.558 7.723 8.290 0.062 0.046 0.439 73 E N 2.950 123.186 120.200 0.059 0.000 2.048 73 E HA -0.249 4.137 4.350 0.059 0.000 0.202 73 E C 2.274 178.947 176.600 0.121 0.000 1.021 73 E CA 2.856 59.299 56.400 0.071 0.000 0.825 73 E CB -0.718 29.015 29.700 0.055 0.000 0.756 73 E HN 0.132 8.520 8.360 0.047 0.000 0.454 74 L N -3.299 118.016 121.223 0.152 0.000 2.013 74 L HA -0.308 4.279 4.340 0.413 0.000 0.212 74 L C 2.317 179.359 176.870 0.287 0.000 1.073 74 L CA 2.799 57.810 54.840 0.286 0.000 0.753 74 L CB -0.897 41.282 42.059 0.200 0.000 0.890 74 L HN -0.075 8.221 8.230 0.110 0.000 0.432 75 A N -0.485 122.435 122.820 0.166 0.000 1.873 75 A HA -0.424 3.973 4.320 0.129 0.000 0.218 75 A C 2.084 179.708 177.584 0.066 0.000 1.193 75 A CA 3.084 55.190 52.037 0.115 0.000 0.629 75 A CB -1.104 17.945 19.000 0.082 0.000 0.826 75 A HN -0.191 7.977 8.150 0.133 0.062 0.447 76 K N -2.329 118.108 120.400 0.062 0.000 2.077 76 K HA -0.389 3.943 4.320 0.019 0.000 0.213 76 K C 2.457 179.048 176.600 -0.014 0.000 1.051 76 K CA 3.329 59.634 56.287 0.031 0.000 0.929 76 K CB -0.464 32.061 32.500 0.043 0.000 0.715 76 K HN 0.678 8.844 8.250 0.074 0.128 0.451 77 H N -1.580 117.420 119.070 -0.117 0.000 2.482 77 H HA -0.055 4.360 4.556 -0.235 0.000 0.286 77 H C 1.745 176.815 175.328 -0.429 0.000 1.017 77 H CA 2.641 58.510 56.048 -0.299 0.000 1.322 77 H CB 0.285 29.782 29.762 -0.441 0.000 1.426 77 H HN -0.549 7.717 8.280 0.114 0.082 0.546 78 A N -0.345 122.301 122.820 -0.292 0.000 1.969 78 A HA -0.243 3.833 4.320 -0.406 0.000 0.218 78 A C 1.801 179.166 177.584 -0.365 0.000 1.169 78 A CA 3.145 55.027 52.037 -0.259 0.000 0.635 78 A CB -0.280 18.771 19.000 0.085 0.000 0.810 78 A HN 0.464 8.377 8.150 -0.034 0.217 0.445 79 V N -6.237 113.554 119.914 -0.205 0.000 2.788 79 V HA -0.028 4.013 4.120 -0.132 0.000 0.251 79 V C 1.457 177.470 176.094 -0.136 0.000 1.068 79 V CA 2.486 64.736 62.300 -0.085 0.000 1.090 79 V CB -1.000 30.880 31.823 0.094 0.000 0.710 79 V HN 0.553 8.549 8.190 -0.127 0.118 0.467 80 S N 3.223 118.781 115.700 -0.238 0.000 2.357 80 S HA -0.221 4.179 4.470 -0.117 0.000 0.221 80 S C 2.161 176.571 174.600 -0.316 0.000 1.031 80 S CA 4.439 62.501 58.200 -0.229 0.000 0.982 80 S CB -0.196 62.867 63.200 -0.228 0.000 0.853 80 S HN -0.376 7.679 8.310 -0.274 0.091 0.458 81 E N 1.484 121.342 120.200 -0.571 0.000 2.152 81 E HA -0.214 3.920 4.350 -0.360 0.000 0.192 81 E C 2.505 178.895 176.600 -0.351 0.000 0.983 81 E CA 2.078 58.182 56.400 -0.494 0.000 0.818 81 E CB -0.401 28.883 29.700 -0.692 0.000 0.758 81 E HN 0.022 7.800 8.360 -0.792 0.107 0.467 82 G N -2.389 106.130 108.800 -0.468 0.000 2.408 82 G HA2 -0.240 3.440 3.960 -0.466 0.000 0.217 82 G HA3 -0.240 2.900 3.960 -1.366 0.000 0.217 82 G C 0.977 175.861 174.900 -0.027 0.000 1.150 82 G CA 2.100 46.861 45.100 -0.565 0.000 0.776 82 G HN -0.393 7.483 8.290 -0.539 0.091 0.542 83 T N 1.866 116.456 114.554 0.061 0.000 2.612 83 T HA -0.316 4.181 4.350 0.244 0.000 0.259 83 T C 1.639 176.372 174.700 0.055 0.000 1.065 83 T CA 3.651 65.833 62.100 0.136 0.000 1.167 83 T CB -0.113 68.806 68.868 0.086 0.000 0.863 83 T HN -0.278 7.931 8.240 -0.051 0.000 0.407 84 R N 2.517 123.013 120.500 -0.007 0.000 2.204 84 R HA -0.383 3.961 4.340 0.007 0.000 0.253 84 R C 1.501 177.807 176.300 0.011 0.000 1.172 84 R CA 2.481 58.576 56.100 -0.009 0.000 0.994 84 R CB -1.031 29.242 30.300 -0.044 0.000 0.874 84 R HN -0.407 7.840 8.270 -0.039 0.000 0.462 85 A N -1.500 121.319 122.820 -0.001 0.000 1.854 85 A HA -0.242 4.089 4.320 0.018 0.000 0.214 85 A C 1.787 179.445 177.584 0.124 0.000 1.192 85 A CA 3.090 55.140 52.037 0.021 0.000 0.611 85 A CB -0.626 18.344 19.000 -0.051 0.000 0.832 85 A HN -0.508 7.477 8.150 -0.033 0.145 0.442 86 V N -4.124 115.886 119.914 0.160 0.000 2.453 86 V HA -0.485 3.892 4.120 0.428 0.000 0.252 86 V C 2.024 178.226 176.094 0.181 0.000 1.068 86 V CA 2.773 65.225 62.300 0.253 0.000 1.070 86 V CB -1.552 30.393 31.823 0.204 0.000 0.664 86 V HN -0.355 7.920 8.190 0.141 0.000 0.461 87 T N 4.128 118.747 114.554 0.109 0.000 2.564 87 T HA -0.317 4.061 4.350 0.047 0.000 0.259 87 T C 1.795 176.534 174.700 0.065 0.000 1.087 87 T CA 5.258 67.397 62.100 0.064 0.000 1.184 87 T CB -0.277 68.615 68.868 0.040 0.000 0.864 87 T HN -0.312 7.882 8.240 0.097 0.104 0.403 88 K N 2.308 122.751 120.400 0.071 0.000 2.211 88 K HA -0.324 4.021 4.320 0.042 0.000 0.204 88 K C 2.106 178.774 176.600 0.114 0.000 1.047 88 K CA 2.870 59.199 56.287 0.069 0.000 0.935 88 K CB -0.651 31.884 32.500 0.059 0.000 0.728 88 K HN -0.493 7.795 8.250 0.063 0.000 0.452 89 Y N 1.708 122.011 120.300 0.005 0.000 2.220 89 Y HA -0.209 4.491 4.550 0.007 -0.145 0.291 89 Y C 0.911 176.817 175.900 0.009 0.000 1.129 89 Y CA 1.661 59.766 58.100 0.008 0.000 1.161 89 Y CB 0.605 39.073 38.460 0.014 0.000 0.997 89 Y HN 0.369 8.664 8.280 0.241 0.130 0.522 90 S N -2.338 113.273 115.700 -0.148 0.000 2.486 90 S HA -0.133 4.061 4.470 -0.461 0.000 0.220 90 S C 1.893 176.417 174.600 -0.126 0.000 1.011 90 S CA 1.889 59.937 58.200 -0.253 0.000 0.921 90 S CB 0.354 63.469 63.200 -0.141 0.000 0.785 90 S HN 0.087 8.217 8.310 0.043 0.206 0.517 91 S N 2.984 118.652 115.700 -0.054 0.000 2.381 91 S HA -0.377 4.077 4.470 -0.027 0.000 0.230 91 S C 1.256 175.829 174.600 -0.045 0.000 1.052 91 S CA 3.152 61.333 58.200 -0.032 0.000 1.068 91 S CB -0.001 63.195 63.200 -0.006 0.000 0.918 91 S HN 0.674 8.848 8.310 -0.020 0.124 0.448 92 S N -0.394 115.274 115.700 -0.054 0.000 2.309 92 S HA -0.047 4.402 4.470 -0.035 0.000 0.206 92 S C -0.380 174.174 174.600 -0.076 0.000 1.028 92 S CA 1.711 59.881 58.200 -0.050 0.000 0.972 92 S CB 1.027 64.207 63.200 -0.035 0.000 0.961 92 S HN -0.198 8.081 8.310 -0.053 -0.002 0.449 93 T N -0.681 113.802 114.554 -0.119 0.000 3.101 93 T HA -0.031 4.212 4.350 -0.177 0.000 0.354 93 T C -0.841 173.770 174.700 -0.148 0.000 1.801 93 T CA 0.108 62.126 62.100 -0.137 0.000 1.034 93 T CB 0.267 69.087 68.868 -0.080 0.000 1.882 93 T HN -0.185 7.975 8.240 -0.133 0.000 0.525 94 Q N 1.949 121.652 119.800 -0.162 0.000 2.294 94 Q HA -0.153 4.118 4.340 -0.115 0.000 0.207 94 Q C -0.629 175.347 176.000 -0.041 0.000 0.887 94 Q CA 0.413 56.152 55.803 -0.106 0.000 0.987 94 Q CB -1.846 26.845 28.738 -0.079 0.000 1.101 94 Q HN 0.321 8.491 8.270 -0.166 0.000 0.447 95 A N -2.337 120.459 122.820 -0.040 0.000 3.106 95 A HA 0.253 4.566 4.320 -0.010 0.000 0.306 95 A C -0.806 176.774 177.584 -0.005 0.000 1.192 95 A CA 0.227 52.254 52.037 -0.018 0.000 0.994 95 A CB 0.250 19.237 19.000 -0.021 0.000 1.107 95 A HN 0.269 8.209 8.150 -0.058 0.175 0.585 96 Q N -1.422 118.382 119.800 0.007 0.000 2.237 96 Q HA -0.005 4.343 4.340 0.013 0.000 0.164 96 Q C -1.636 174.383 176.000 0.031 0.000 0.658 96 Q CA 0.373 56.186 55.803 0.017 0.000 0.895 96 Q CB 1.156 29.904 28.738 0.017 0.000 1.175 96 Q HN 0.055 8.275 8.270 0.010 0.056 0.355 97 S N -1.785 113.944 115.700 0.049 0.000 2.523 97 S HA 0.074 4.576 4.470 0.054 0.000 0.335 97 S C -0.257 174.404 174.600 0.102 0.000 0.817 97 S CA 0.378 58.615 58.200 0.062 0.000 0.800 97 S CB 1.219 64.449 63.200 0.050 0.000 1.106 97 S HN -0.160 8.182 8.310 0.052 0.000 0.490 98 S N 4.350 120.123 115.700 0.121 0.000 2.402 98 S HA -0.239 4.441 4.470 0.350 0.000 0.229 98 S C 1.170 175.813 174.600 0.072 0.000 1.021 98 S CA 2.875 61.186 58.200 0.185 0.000 0.974 98 S CB -0.079 63.226 63.200 0.174 0.000 0.800 98 S HN 0.438 8.804 8.310 0.094 0.000 0.484 99 S N 0.457 116.178 115.700 0.035 0.000 2.851 99 S HA -0.031 4.414 4.470 -0.041 0.000 0.227 99 S C -0.685 173.930 174.600 0.025 0.000 0.958 99 S CA 1.581 59.780 58.200 -0.002 0.000 0.990 99 S CB -1.406 61.791 63.200 -0.006 0.000 0.790 99 S HN 0.127 8.451 8.310 0.043 0.011 0.509 100 A N -0.522 122.327 122.820 0.049 0.000 2.233 100 A HA 0.243 4.590 4.320 0.046 0.000 0.163 100 A C 0.769 178.399 177.584 0.077 0.000 1.845 100 A CA 1.272 53.342 52.037 0.055 0.000 1.390 100 A CB 0.523 19.555 19.000 0.053 0.000 1.601 100 A HN -0.417 7.618 8.150 0.069 0.156 0.398 101 R N 0.194 120.770 120.500 0.127 0.000 2.080 101 R HA -0.202 4.221 4.340 0.137 0.000 0.222 101 R C 2.162 178.621 176.300 0.265 0.000 1.107 101 R CA 1.897 58.117 56.100 0.201 0.000 0.980 101 R CB 0.211 30.659 30.300 0.246 0.000 0.879 101 R HN 0.582 8.732 8.270 0.133 0.201 0.439 102 A N -3.156 119.752 122.820 0.148 0.000 2.194 102 A HA -0.152 3.927 4.320 -0.401 0.000 0.220 102 A C 0.309 177.855 177.584 -0.064 0.000 1.162 102 A CA 1.576 53.489 52.037 -0.206 0.000 0.674 102 A CB -0.390 18.351 19.000 -0.431 0.000 0.789 102 A HN -0.539 7.691 8.150 0.133 0.000 0.470 103 G N -3.498 105.310 108.800 0.013 0.000 2.168 103 G HA2 -0.266 3.711 3.960 0.029 0.000 0.263 103 G HA3 -0.266 3.701 3.960 0.013 0.000 0.263 103 G C -0.524 174.371 174.900 -0.009 0.000 0.977 103 G CA 0.560 45.667 45.100 0.012 0.000 0.659 103 G HN -0.534 7.582 8.290 0.047 0.202 0.533 104 L N -1.440 119.765 121.223 -0.030 0.000 2.372 104 L HA 0.192 4.534 4.340 0.004 0.000 0.273 104 L C -1.091 175.787 176.870 0.013 0.000 0.989 104 L CA -1.448 53.383 54.840 -0.014 0.000 0.841 104 L CB 0.435 42.462 42.059 -0.053 0.000 1.225 104 L HN -0.383 7.736 8.230 -0.050 0.081 0.414 105 Q N 1.469 121.305 119.800 0.059 0.000 2.362 105 Q HA -0.117 4.232 4.340 0.015 0.000 0.215 105 Q C -1.358 174.638 176.000 -0.008 0.000 0.944 105 Q CA 0.293 56.131 55.803 0.057 0.000 0.964 105 Q CB -0.507 28.310 28.738 0.132 0.000 0.998 105 Q HN 0.157 8.471 8.270 0.074 0.000 0.488 106 F N -1.376 118.442 119.950 -0.221 0.000 2.385 106 F HA 0.182 4.497 4.527 -0.354 0.000 0.336 106 F C -2.135 173.382 175.800 -0.471 0.000 1.100 106 F CA -3.967 53.837 58.000 -0.328 0.000 1.116 106 F CB 1.606 40.475 39.000 -0.219 0.000 1.166 106 F HN -0.744 7.471 8.300 0.104 0.148 0.511 107 P HA -0.113 3.857 4.420 -0.750 0.000 0.198 107 P C -0.775 176.302 177.300 -0.371 0.000 0.910 107 P CA 0.620 63.308 63.100 -0.686 0.000 1.202 107 P CB -0.485 30.835 31.700 -0.633 0.000 1.231 108 V N 3.367 123.115 119.914 -0.277 0.000 2.488 108 V HA -0.234 3.793 4.120 -0.154 0.000 0.246 108 V C 2.269 178.271 176.094 -0.154 0.000 1.046 108 V CA 2.916 65.111 62.300 -0.175 0.000 1.053 108 V CB -0.001 31.742 31.823 -0.133 0.000 0.679 108 V HN -0.460 7.547 8.190 -0.305 0.000 0.458 109 G N -1.321 107.387 108.800 -0.153 0.000 2.426 109 G HA2 -0.219 3.699 3.960 -0.069 0.000 0.214 109 G HA3 -0.219 3.696 3.960 -0.075 0.000 0.214 109 G C 1.184 175.989 174.900 -0.157 0.000 1.156 109 G CA 1.520 46.556 45.100 -0.107 0.000 0.802 109 G HN 0.207 8.394 8.290 -0.172 0.000 0.534 110 R N 0.837 121.185 120.500 -0.253 0.000 2.075 110 R HA -0.183 4.042 4.340 -0.193 0.000 0.232 110 R C 2.104 177.906 176.300 -0.829 0.000 1.126 110 R CA 2.671 58.544 56.100 -0.377 0.000 0.963 110 R CB -0.085 30.006 30.300 -0.348 0.000 0.858 110 R HN 0.014 8.129 8.270 -0.258 0.000 0.435 111 I N -0.540 119.558 120.570 -0.786 0.000 2.202 111 I HA -0.457 2.726 4.170 -1.645 0.000 0.242 111 I C 1.134 177.078 176.117 -0.288 0.000 1.091 111 I CA 3.645 64.442 61.300 -0.837 0.000 1.368 111 I CB -0.018 37.694 38.000 -0.480 0.000 1.058 111 I HN -0.510 7.370 8.210 -0.550 0.000 0.410 112 K N -0.860 119.450 120.400 -0.151 0.000 2.218 112 K HA -0.382 3.970 4.320 0.054 0.000 0.205 112 K C 2.486 179.117 176.600 0.052 0.000 1.046 112 K CA 3.005 59.289 56.287 -0.005 0.000 0.933 112 K CB -0.564 31.929 32.500 -0.011 0.000 0.728 112 K HN -0.512 7.620 8.250 -0.197 0.000 0.454 113 R N -2.594 117.911 120.500 0.008 0.000 2.119 113 R HA -0.215 4.202 4.340 0.129 0.000 0.222 113 R C 2.193 178.708 176.300 0.358 0.000 1.088 113 R CA 3.049 59.237 56.100 0.147 0.000 0.984 113 R CB 0.098 30.480 30.300 0.136 0.000 0.884 113 R HN -0.493 7.591 8.270 -0.141 0.101 0.447 114 Y N -1.370 118.983 120.300 0.088 0.000 2.497 114 Y HA -0.177 4.486 4.550 0.189 0.000 0.292 114 Y C 2.323 178.439 175.900 0.359 0.000 1.137 114 Y CA 0.549 58.766 58.100 0.195 0.000 1.285 114 Y CB -0.817 37.632 38.460 -0.019 0.000 0.991 114 Y HN 0.223 8.416 8.280 0.105 0.150 0.556 115 L N -2.308 119.179 121.223 0.440 0.000 2.354 115 L HA -0.189 4.349 4.340 0.331 0.000 0.212 115 L C 1.712 178.716 176.870 0.223 0.000 1.091 115 L CA 2.283 57.313 54.840 0.317 0.000 0.828 115 L CB -0.242 41.959 42.059 0.237 0.000 0.973 115 L HN -0.020 8.245 8.230 0.342 0.170 0.461 116 K N 0.698 121.218 120.400 0.200 0.000 2.067 116 K HA 0.041 4.432 4.320 0.120 0.000 0.203 116 K C 2.060 178.743 176.600 0.139 0.000 1.048 116 K CA 1.916 58.288 56.287 0.141 0.000 0.954 116 K CB 0.255 32.821 32.500 0.111 0.000 0.737 116 K HN -0.463 7.787 8.250 0.219 0.131 0.444 117 R N -3.927 116.673 120.500 0.168 0.000 2.075 117 R HA -0.165 4.225 4.340 0.082 0.000 0.226 117 R C 1.877 178.248 176.300 0.118 0.000 1.114 117 R CA 2.725 58.898 56.100 0.122 0.000 0.972 117 R CB -0.629 29.739 30.300 0.113 0.000 0.869 117 R HN 0.243 8.528 8.270 0.210 0.111 0.437 118 H N -0.036 119.104 119.070 0.117 0.000 2.326 118 H HA -0.176 4.420 4.556 0.065 0.000 0.301 118 H C 0.862 176.236 175.328 0.077 0.000 1.081 118 H CA 2.352 58.458 56.048 0.098 0.000 1.334 118 H CB 0.178 30.031 29.762 0.151 0.000 1.385 118 H HN -0.332 8.154 8.280 0.343 0.000 0.504 119 A N -2.786 120.193 122.820 0.265 0.000 1.874 119 A HA -0.104 4.323 4.320 0.178 0.000 0.214 119 A C 0.067 177.710 177.584 0.099 0.000 1.189 119 A CA 0.866 53.004 52.037 0.167 0.000 0.615 119 A CB 0.178 19.261 19.000 0.138 0.000 0.830 119 A HN -0.329 7.997 8.150 0.295 0.000 0.443 120 T N -0.715 113.895 114.554 0.093 0.000 3.757 120 T HA -0.372 4.080 4.350 0.063 -0.064 0.349 120 T C -0.297 174.431 174.700 0.047 0.000 0.760 120 T CA 1.133 63.269 62.100 0.060 0.000 1.833 120 T CB -1.377 67.514 68.868 0.039 0.000 1.881 120 T HN -0.373 7.837 8.240 0.120 0.103 0.753 121 G N -0.456 108.377 108.800 0.054 0.000 4.477 121 G HA2 0.238 4.218 3.960 0.033 0.000 0.319 121 G HA3 0.238 4.226 3.960 0.046 0.000 0.319 121 G C -1.661 173.262 174.900 0.038 0.000 1.391 121 G CA -1.015 44.110 45.100 0.042 0.000 1.261 121 G HN -0.412 7.867 8.290 0.069 0.053 0.556 122 R N -0.549 119.971 120.500 0.034 0.000 3.502 122 R HA -0.430 3.927 4.340 0.029 0.000 0.266 122 R C -0.832 175.489 176.300 0.035 0.000 1.077 122 R CA 0.546 56.664 56.100 0.030 0.000 0.718 122 R CB -1.977 28.336 30.300 0.022 0.000 1.120 122 R HN -0.271 8.019 8.270 0.033 0.000 0.457 123 T N -4.305 110.276 114.554 0.046 0.000 2.863 123 T HA 0.189 4.565 4.350 0.043 0.000 0.299 123 T C 0.541 175.271 174.700 0.050 0.000 0.973 123 T CA -1.424 60.706 62.100 0.051 0.000 0.994 123 T CB 0.291 69.200 68.868 0.068 0.000 0.961 123 T HN -0.179 8.078 8.240 0.050 0.014 0.552 124 R N 5.886 126.410 120.500 0.040 0.000 2.189 124 R HA -0.090 4.274 4.340 0.039 0.000 0.223 124 R C 0.354 176.682 176.300 0.046 0.000 1.092 124 R CA -0.079 56.044 56.100 0.039 0.000 0.989 124 R CB -0.149 30.169 30.300 0.030 0.000 0.876 124 R HN 0.130 8.421 8.270 0.035 0.000 0.457 125 V N -3.895 116.049 119.914 0.049 0.000 6.125 125 V HA -0.301 3.851 4.120 0.054 0.000 0.281 125 V C -0.378 175.749 176.094 0.055 0.000 0.591 125 V CA 0.483 62.817 62.300 0.056 0.000 0.617 125 V CB -2.889 28.975 31.823 0.068 0.000 0.336 125 V HN -0.029 8.154 8.190 0.045 0.034 0.650 126 G N 0.800 109.627 108.800 0.045 0.000 2.562 126 G HA2 -0.175 3.814 3.960 0.048 0.000 0.233 126 G HA3 -0.175 3.806 3.960 0.035 0.000 0.233 126 G C 0.835 175.781 174.900 0.077 0.000 1.266 126 G CA -0.272 44.857 45.100 0.048 0.000 0.852 126 G HN -0.078 8.233 8.290 0.035 0.000 0.581 127 S N -0.540 115.225 115.700 0.108 0.000 2.520 127 S HA -0.278 4.335 4.470 0.237 0.000 0.249 127 S C 0.709 175.419 174.600 0.182 0.000 0.983 127 S CA 2.160 60.487 58.200 0.211 0.000 0.958 127 S CB 0.105 63.455 63.200 0.250 0.000 0.750 127 S HN 0.327 8.688 8.310 0.085 0.000 0.527 128 K N -1.801 118.654 120.400 0.092 0.000 2.546 128 K HA -0.012 4.346 4.320 0.064 0.000 0.198 128 K C -1.362 175.240 176.600 0.002 0.000 1.028 128 K CA 0.580 56.889 56.287 0.037 0.000 1.150 128 K CB -1.306 31.185 32.500 -0.015 0.000 0.876 128 K HN -0.084 8.080 8.250 0.070 0.128 0.508 129 A N -2.058 120.797 122.820 0.057 0.000 1.713 129 A HA 0.214 4.564 4.320 0.051 0.000 0.164 129 A C 0.235 177.881 177.584 0.103 0.000 1.618 129 A CA 1.111 53.188 52.037 0.065 0.000 1.267 129 A CB -0.038 18.988 19.000 0.044 0.000 1.054 129 A HN -0.149 7.947 8.150 0.084 0.104 0.713 130 A N 0.318 123.184 122.820 0.077 0.000 1.969 130 A HA -0.406 3.963 4.320 0.081 0.000 0.223 130 A C 1.616 179.205 177.584 0.008 0.000 1.218 130 A CA 3.291 55.359 52.037 0.051 0.000 0.667 130 A CB -0.817 18.197 19.000 0.023 0.000 0.826 130 A HN 0.215 8.409 8.150 0.074 0.000 0.472 131 I N -2.946 117.607 120.570 -0.028 0.000 2.286 131 I HA -0.252 3.812 4.170 -0.176 0.000 0.245 131 I C 1.093 177.211 176.117 0.001 0.000 1.104 131 I CA 2.896 64.128 61.300 -0.112 0.000 1.397 131 I CB 0.153 37.992 38.000 -0.269 0.000 1.072 131 I HN -0.432 7.761 8.210 0.002 0.018 0.417 132 Y N -0.080 120.185 120.300 -0.058 0.000 2.298 132 Y HA -0.428 4.090 4.550 -0.053 0.000 0.287 132 Y C 1.966 177.850 175.900 -0.027 0.000 1.164 132 Y CA 4.050 62.126 58.100 -0.040 0.000 1.229 132 Y CB -0.402 38.046 38.460 -0.020 0.000 0.977 132 Y HN -0.189 8.162 8.280 0.259 0.084 0.538 133 L N -3.846 117.442 121.223 0.108 0.000 2.209 133 L HA -0.193 4.197 4.340 0.082 0.000 0.207 133 L C 1.781 178.650 176.870 -0.000 0.000 1.094 133 L CA 3.252 58.146 54.840 0.089 0.000 0.790 133 L CB -0.232 41.946 42.059 0.198 0.000 0.932 133 L HN -0.346 7.829 8.230 0.131 0.133 0.447 134 T N -1.932 112.602 114.554 -0.033 0.000 2.985 134 T HA -0.197 4.120 4.350 -0.055 0.000 0.266 134 T C 1.472 176.067 174.700 -0.175 0.000 1.076 134 T CA 3.591 65.645 62.100 -0.076 0.000 1.135 134 T CB -0.181 68.664 68.868 -0.038 0.000 0.890 134 T HN -0.784 7.339 8.240 -0.022 0.104 0.480 135 A N 1.567 124.288 122.820 -0.165 0.000 1.874 135 A HA -0.077 4.141 4.320 -0.170 0.000 0.214 135 A C 1.977 179.466 177.584 -0.159 0.000 1.189 135 A CA 2.926 54.848 52.037 -0.192 0.000 0.615 135 A CB -0.523 18.320 19.000 -0.262 0.000 0.830 135 A HN 0.456 8.399 8.150 -0.139 0.124 0.443 136 V N -4.790 115.030 119.914 -0.157 0.000 2.515 136 V HA -0.475 3.702 4.120 0.095 0.000 0.250 136 V C 1.215 177.255 176.094 -0.091 0.000 1.058 136 V CA 3.324 65.600 62.300 -0.041 0.000 1.064 136 V CB -0.165 31.635 31.823 -0.038 0.000 0.675 136 V HN -0.624 7.457 8.190 -0.181 0.000 0.461 137 L N 0.823 121.905 121.223 -0.235 0.000 1.988 137 L HA -0.301 3.835 4.340 -0.340 0.000 0.207 137 L C 2.607 179.181 176.870 -0.493 0.000 1.071 137 L CA 3.236 57.826 54.840 -0.416 0.000 0.744 137 L CB -0.280 41.415 42.059 -0.606 0.000 0.893 137 L HN -0.541 7.542 8.230 -0.221 0.015 0.433 138 E N -2.061 117.782 120.200 -0.595 0.000 2.267 138 E HA -0.372 3.640 4.350 -0.563 0.000 0.197 138 E C 2.918 179.440 176.600 -0.131 0.000 0.998 138 E CA 2.876 59.014 56.400 -0.437 0.000 0.830 138 E CB -0.608 28.901 29.700 -0.319 0.000 0.751 138 E HN -0.442 7.550 8.360 -0.614 0.000 0.491 139 Y N 1.621 121.812 120.300 -0.182 0.000 2.153 139 Y HA -0.290 4.239 4.550 -0.035 0.000 0.289 139 Y C 1.353 177.235 175.900 -0.030 0.000 1.119 139 Y CA 2.404 60.467 58.100 -0.062 0.000 1.116 139 Y CB -0.145 38.302 38.460 -0.021 0.000 1.004 139 Y HN -0.628 7.489 8.280 -0.025 0.148 0.501 140 L N -1.966 118.942 121.223 -0.524 0.000 2.179 140 L HA -0.235 3.664 4.340 -0.736 0.000 0.208 140 L C 2.301 179.098 176.870 -0.122 0.000 1.096 140 L CA 2.562 57.114 54.840 -0.480 0.000 0.779 140 L CB -0.103 41.819 42.059 -0.228 0.000 0.922 140 L HN -0.106 7.936 8.230 -0.313 0.000 0.443 141 T N 1.701 116.199 114.554 -0.093 0.000 2.708 141 T HA -0.407 4.003 4.350 0.100 0.000 0.266 141 T C 1.287 175.956 174.700 -0.052 0.000 1.037 141 T CA 5.350 67.424 62.100 -0.044 0.000 1.146 141 T CB -0.678 68.067 68.868 -0.205 0.000 0.865 141 T HN 0.924 8.934 8.240 -0.181 0.122 0.435 142 A N -0.512 122.259 122.820 -0.083 0.000 2.015 142 A HA -0.214 4.090 4.320 -0.025 0.000 0.219 142 A C 1.489 179.053 177.584 -0.034 0.000 1.163 142 A CA 2.663 54.675 52.037 -0.041 0.000 0.646 142 A CB -0.726 18.256 19.000 -0.028 0.000 0.806 142 A HN -0.432 7.528 8.150 -0.122 0.117 0.448 143 E N 0.259 120.417 120.200 -0.070 0.000 2.028 143 E HA -0.268 4.064 4.350 -0.031 0.000 0.190 143 E C 2.155 178.712 176.600 -0.071 0.000 0.984 143 E CA 2.697 59.051 56.400 -0.076 0.000 0.800 143 E CB 0.205 29.801 29.700 -0.172 0.000 0.758 143 E HN -0.630 7.522 8.360 -0.112 0.142 0.448 144 V N -0.396 119.458 119.914 -0.100 0.000 2.324 144 V HA -0.392 3.658 4.120 -0.117 0.000 0.250 144 V C 2.097 178.167 176.094 -0.040 0.000 1.060 144 V CA 4.532 66.772 62.300 -0.099 0.000 1.042 144 V CB -0.567 31.169 31.823 -0.145 0.000 0.650 144 V HN 0.320 8.441 8.190 -0.116 0.000 0.450 145 L N -1.407 119.809 121.223 -0.011 0.000 2.156 145 L HA -0.259 4.088 4.340 0.013 0.000 0.208 145 L C 1.790 178.701 176.870 0.068 0.000 1.095 145 L CA 2.959 57.813 54.840 0.023 0.000 0.770 145 L CB -0.236 41.842 42.059 0.032 0.000 0.914 145 L HN -0.419 7.800 8.230 -0.016 0.002 0.439 146 E N 0.286 120.520 120.200 0.058 0.000 2.047 146 E HA -0.266 4.226 4.350 0.237 0.000 0.191 146 E C 2.387 179.055 176.600 0.113 0.000 0.987 146 E CA 2.941 59.415 56.400 0.122 0.000 0.799 146 E CB -0.049 29.680 29.700 0.048 0.000 0.752 146 E HN -0.234 7.916 8.360 0.017 0.220 0.449 147 L N -0.920 120.325 121.223 0.037 0.000 1.976 147 L HA -0.351 4.003 4.340 0.024 0.000 0.209 147 L C 2.419 179.295 176.870 0.009 0.000 1.071 147 L CA 2.926 57.776 54.840 0.016 0.000 0.746 147 L CB -0.141 41.910 42.059 -0.012 0.000 0.890 147 L HN 0.089 8.326 8.230 0.012 0.000 0.432 148 A N -3.225 119.596 122.820 0.003 0.000 1.968 148 A HA -0.198 4.138 4.320 0.027 0.000 0.217 148 A C 2.279 179.822 177.584 -0.069 0.000 1.169 148 A CA 2.486 54.520 52.037 -0.004 0.000 0.638 148 A CB -0.724 18.280 19.000 0.008 0.000 0.812 148 A HN -0.278 7.871 8.150 -0.002 0.000 0.446 149 G N -0.522 108.254 108.800 -0.040 0.000 2.484 149 G HA2 -0.430 3.450 3.960 -0.133 0.000 0.215 149 G HA3 -0.430 3.654 3.960 0.075 -0.078 0.215 149 G C 0.967 175.644 174.900 -0.371 0.000 1.219 149 G CA 1.919 46.953 45.100 -0.109 0.000 0.791 149 G HN 0.612 8.775 8.290 0.020 0.140 0.550 150 N N 1.572 120.032 118.700 -0.401 0.000 2.443 150 N HA -0.301 3.987 4.740 -0.753 0.000 0.184 150 N C 1.534 176.932 175.510 -0.187 0.000 1.037 150 N CA 2.627 55.420 53.050 -0.429 0.000 0.896 150 N CB -0.017 38.420 38.487 -0.083 0.000 0.959 150 N HN -0.301 8.036 8.380 -0.071 0.000 0.442 151 A N -0.438 122.316 122.820 -0.111 0.000 1.942 151 A HA 0.067 4.367 4.320 -0.033 0.000 0.209 151 A C 1.309 178.878 177.584 -0.024 0.000 1.214 151 A CA 2.191 54.205 52.037 -0.038 0.000 0.686 151 A CB -0.249 18.759 19.000 0.012 0.000 0.871 151 A HN -0.414 7.525 8.150 -0.103 0.149 0.460 152 A N -1.314 121.444 122.820 -0.103 0.000 2.019 152 A HA -0.251 4.047 4.320 -0.037 0.000 0.219 152 A C 1.130 178.594 177.584 -0.200 0.000 1.164 152 A CA 2.898 54.762 52.037 -0.288 0.000 0.644 152 A CB -0.351 18.203 19.000 -0.743 0.000 0.805 152 A HN 0.713 8.637 8.150 -0.129 0.149 0.449 153 K N -5.412 114.881 120.400 -0.178 0.000 2.211 153 K HA -0.149 4.214 4.320 -0.117 -0.113 0.201 153 K C 0.771 177.323 176.600 -0.080 0.000 1.052 153 K CA 2.193 58.398 56.287 -0.136 0.000 0.973 153 K CB 0.039 32.434 32.500 -0.176 0.000 0.766 153 K HN -0.503 7.598 8.250 -0.207 0.025 0.466 154 D N -1.667 118.689 120.400 -0.073 0.000 2.347 154 D HA -0.084 4.535 4.640 -0.036 0.000 0.213 154 D C 0.832 177.127 176.300 -0.007 0.000 0.985 154 D CA 1.149 55.126 54.000 -0.038 0.000 0.879 154 D CB 0.394 41.171 40.800 -0.039 0.000 0.919 154 D HN -0.638 7.577 8.370 -0.096 0.097 0.526 155 L N -2.093 119.140 121.223 0.016 0.000 2.221 155 L HA 0.024 4.383 4.340 0.032 0.000 0.202 155 L C 0.854 177.757 176.870 0.055 0.000 1.074 155 L CA 1.763 56.636 54.840 0.054 0.000 0.795 155 L CB 1.412 43.551 42.059 0.134 0.000 0.960 155 L HN 0.011 8.074 8.230 0.003 0.169 0.458 156 K N -6.834 113.602 120.400 0.059 0.000 2.256 156 K HA 0.018 4.353 4.320 0.025 0.000 0.130 156 K C -0.662 175.951 176.600 0.022 0.000 2.157 156 K CA 0.737 57.051 56.287 0.046 0.000 1.240 156 K CB 1.576 34.118 32.500 0.071 0.000 2.378 156 K HN -0.434 7.844 8.250 0.046 0.000 0.491 157 V N -1.347 118.569 119.914 0.003 0.000 2.808 157 V HA 0.450 4.556 4.120 -0.024 0.000 0.308 157 V C -1.344 174.687 176.094 -0.105 0.000 1.099 157 V CA -2.001 60.278 62.300 -0.035 0.000 0.920 157 V CB 3.485 35.305 31.823 -0.005 0.000 1.014 157 V HN -0.319 7.879 8.190 0.013 0.000 0.425 158 K N 1.936 122.288 120.400 -0.079 0.000 2.283 158 K HA -0.265 3.980 4.320 -0.126 0.000 0.202 158 K C 0.318 176.855 176.600 -0.105 0.000 1.048 158 K CA 2.087 58.318 56.287 -0.095 0.000 0.948 158 K CB 0.049 32.518 32.500 -0.052 0.000 0.742 158 K HN 0.354 8.574 8.250 -0.050 0.000 0.458 159 R N 0.036 120.486 120.500 -0.083 0.000 3.701 159 R HA -0.011 4.290 4.340 -0.066 0.000 0.210 159 R C -0.557 175.673 176.300 -0.117 0.000 1.598 159 R CA -1.594 54.463 56.100 -0.072 0.000 1.427 159 R CB -1.176 29.107 30.300 -0.028 0.000 1.339 159 R HN -0.559 7.642 8.270 -0.064 0.032 0.720 160 I N 4.916 125.366 120.570 -0.201 0.000 3.224 160 I HA -0.271 3.503 4.170 -0.660 0.000 0.306 160 I C -1.480 174.582 176.117 -0.091 0.000 1.231 160 I CA 1.343 62.455 61.300 -0.314 0.000 1.421 160 I CB 1.328 39.170 38.000 -0.263 0.000 1.315 160 I HN -0.319 7.734 8.210 -0.184 0.047 0.581 161 T N 2.970 117.568 114.554 0.075 0.000 2.903 161 T HA 0.624 5.014 4.350 0.067 0.000 0.299 161 T C -1.476 173.323 174.700 0.164 0.000 1.093 161 T CA -2.770 59.414 62.100 0.140 0.000 1.002 161 T CB 1.759 70.724 68.868 0.161 0.000 1.127 161 T HN -0.325 8.028 8.240 0.189 0.000 0.488 162 P HA -0.328 4.120 4.420 0.046 0.000 0.222 162 P C 0.276 177.601 177.300 0.042 0.000 1.139 162 P CA 2.349 65.481 63.100 0.054 0.000 0.790 162 P CB -0.042 31.678 31.700 0.034 0.000 0.757 163 R N -1.759 118.771 120.500 0.049 0.000 2.055 163 R HA -0.290 4.017 4.340 -0.055 0.000 0.228 163 R C 1.614 177.862 176.300 -0.086 0.000 1.143 163 R CA 3.168 59.233 56.100 -0.059 0.000 0.945 163 R CB -0.117 30.087 30.300 -0.159 0.000 0.841 163 R HN -0.662 7.563 8.270 0.102 0.106 0.429 164 H N -1.458 117.596 119.070 -0.027 0.000 2.492 164 H HA -0.243 4.293 4.556 -0.033 0.000 0.296 164 H C 2.568 177.872 175.328 -0.040 0.000 1.095 164 H CA 2.974 59.003 56.048 -0.033 0.000 1.281 164 H CB -0.338 29.403 29.762 -0.034 0.000 1.374 164 H HN -0.439 7.944 8.280 0.172 0.000 0.545 165 L N -2.144 119.130 121.223 0.085 0.000 2.209 165 L HA -0.173 4.168 4.340 0.002 0.000 0.207 165 L C 1.607 178.464 176.870 -0.022 0.000 1.094 165 L CA 2.202 57.051 54.840 0.014 0.000 0.790 165 L CB -0.506 41.558 42.059 0.008 0.000 0.932 165 L HN -0.453 7.765 8.230 0.108 0.077 0.447 166 Q N 0.186 119.970 119.800 -0.025 0.000 2.152 166 Q HA -0.346 3.969 4.340 -0.042 0.000 0.206 166 Q C 2.602 178.572 176.000 -0.050 0.000 0.985 166 Q CA 3.203 58.980 55.803 -0.043 0.000 0.863 166 Q CB -0.417 28.290 28.738 -0.053 0.000 0.904 166 Q HN 0.109 8.138 8.270 -0.016 0.232 0.422 167 L N -1.431 119.763 121.223 -0.048 0.000 2.062 167 L HA -0.144 4.166 4.340 -0.049 0.000 0.202 167 L C 2.208 179.051 176.870 -0.046 0.000 1.079 167 L CA 2.409 57.222 54.840 -0.046 0.000 0.755 167 L CB -0.625 41.408 42.059 -0.043 0.000 0.913 167 L HN -0.471 7.621 8.230 -0.043 0.112 0.445 168 A N -1.521 121.277 122.820 -0.037 0.000 2.093 168 A HA -0.231 4.060 4.320 -0.049 0.000 0.222 168 A C 1.590 179.121 177.584 -0.090 0.000 1.162 168 A CA 2.716 54.721 52.037 -0.054 0.000 0.655 168 A CB -0.380 18.594 19.000 -0.044 0.000 0.805 168 A HN -0.199 7.941 8.150 -0.018 0.000 0.461 169 I N -4.218 116.299 120.570 -0.089 0.000 3.196 169 I HA -0.147 3.931 4.170 -0.154 0.000 0.248 169 I C 0.775 176.838 176.117 -0.088 0.000 1.105 169 I CA 1.716 62.946 61.300 -0.116 0.000 1.482 169 I CB 0.991 38.920 38.000 -0.117 0.000 1.400 169 I HN -0.010 8.012 8.210 -0.069 0.147 0.464 170 R N -2.090 118.368 120.500 -0.069 0.000 2.237 170 R HA -0.225 4.283 4.340 -0.059 -0.203 0.219 170 R C 2.285 178.553 176.300 -0.053 0.000 1.080 170 R CA 2.305 58.370 56.100 -0.058 0.000 0.995 170 R CB -0.337 29.931 30.300 -0.053 0.000 0.875 170 R HN -0.335 7.803 8.270 -0.065 0.093 0.462 171 G N -0.321 108.446 108.800 -0.054 0.000 2.505 171 G HA2 -0.218 3.717 3.960 -0.042 0.000 0.214 171 G HA3 -0.218 3.784 3.960 -0.044 -0.068 0.214 171 G C -0.500 174.372 174.900 -0.045 0.000 1.237 171 G CA 0.565 45.638 45.100 -0.046 0.000 0.802 171 G HN 0.202 8.299 8.290 -0.058 0.159 0.549 172 D N 2.406 122.774 120.400 -0.053 0.000 2.380 172 D HA -0.165 4.451 4.640 -0.040 0.000 0.270 172 D C -0.077 176.193 176.300 -0.050 0.000 1.363 172 D CA 1.576 55.546 54.000 -0.051 0.000 1.057 172 D CB -1.186 39.576 40.800 -0.063 0.000 1.096 172 D HN -0.646 7.687 8.370 -0.061 0.000 0.524 173 D N 5.240 125.617 120.400 -0.038 0.000 2.157 173 D HA -0.534 4.084 4.640 -0.036 0.000 0.191 173 D C 1.219 177.499 176.300 -0.032 0.000 1.004 173 D CA 4.608 58.588 54.000 -0.033 0.000 0.854 173 D CB 0.423 41.209 40.800 -0.024 0.000 0.936 173 D HN -0.087 8.263 8.370 -0.033 0.000 0.446 174 E N -0.827 119.356 120.200 -0.028 0.000 2.013 174 E HA -0.259 4.082 4.350 -0.015 0.000 0.202 174 E C 2.428 179.007 176.600 -0.036 0.000 1.018 174 E CA 2.784 59.170 56.400 -0.022 0.000 0.834 174 E CB -0.783 28.910 29.700 -0.013 0.000 0.770 174 E HN 0.272 8.613 8.360 -0.027 0.003 0.459 175 L N -1.580 119.606 121.223 -0.061 0.000 1.997 175 L HA -0.443 3.842 4.340 -0.092 0.000 0.216 175 L C 2.204 179.018 176.870 -0.094 0.000 1.074 175 L CA 3.089 57.867 54.840 -0.102 0.000 0.763 175 L CB -0.685 41.277 42.059 -0.163 0.000 0.890 175 L HN -0.447 7.747 8.230 -0.060 0.000 0.434 176 D N -0.631 119.720 120.400 -0.082 0.000 2.177 176 D HA -0.400 4.192 4.640 -0.079 0.000 0.189 176 D C 2.879 179.154 176.300 -0.043 0.000 1.002 176 D CA 3.323 57.283 54.000 -0.066 0.000 0.845 176 D CB -0.304 40.464 40.800 -0.053 0.000 0.960 176 D HN 0.195 8.517 8.370 -0.079 0.000 0.447 177 S N -0.760 114.921 115.700 -0.031 0.000 2.537 177 S HA -0.220 4.241 4.470 -0.015 0.000 0.240 177 S C 1.273 175.869 174.600 -0.006 0.000 0.981 177 S CA 2.570 60.760 58.200 -0.016 0.000 0.948 177 S CB 0.136 63.329 63.200 -0.012 0.000 0.759 177 S HN -0.116 8.174 8.310 -0.033 0.000 0.531 178 L N -1.308 119.909 121.223 -0.010 0.000 2.467 178 L HA 0.213 4.570 4.340 0.029 0.000 0.213 178 L C 0.355 177.247 176.870 0.037 0.000 1.053 178 L CA 1.390 56.241 54.840 0.019 0.000 0.847 178 L CB 0.774 42.847 42.059 0.023 0.000 1.075 178 L HN -0.167 7.870 8.230 -0.031 0.175 0.479 179 I N -1.636 118.919 120.570 -0.025 0.000 2.260 179 I HA -0.272 3.953 4.170 0.092 0.000 0.237 179 I C -0.091 176.038 176.117 0.019 0.000 1.075 179 I CA 2.148 63.434 61.300 -0.024 0.000 1.376 179 I CB 0.986 38.857 38.000 -0.214 0.000 1.107 179 I HN 0.481 8.436 8.210 -0.065 0.216 0.420 180 R N -1.945 118.547 120.500 -0.014 0.000 3.363 180 R HA -0.379 3.953 4.340 -0.014 0.000 0.239 180 R C -1.077 175.237 176.300 0.023 0.000 0.966 180 R CA 1.230 57.330 56.100 -0.001 0.000 0.651 180 R CB -3.020 27.281 30.300 0.002 0.000 1.041 180 R HN -0.433 7.812 8.270 -0.042 0.000 0.478 181 A N -1.089 121.753 122.820 0.037 0.000 1.832 181 A HA -0.134 4.230 4.320 0.074 0.000 0.214 181 A C 0.649 178.262 177.584 0.048 0.000 1.204 181 A CA 2.103 54.180 52.037 0.066 0.000 0.606 181 A CB 0.199 19.266 19.000 0.111 0.000 0.849 181 A HN 0.104 8.227 8.150 0.021 0.039 0.445 182 T N -6.252 108.324 114.554 0.037 0.000 3.601 182 T HA -0.025 4.343 4.350 0.030 0.000 0.242 182 T C -0.326 174.384 174.700 0.017 0.000 0.958 182 T CA 0.310 62.429 62.100 0.031 0.000 1.120 182 T CB 0.897 69.790 68.868 0.042 0.000 1.154 182 T HN -0.509 7.749 8.240 0.031 0.000 0.375 183 I N -0.146 120.433 120.570 0.014 0.000 6.045 183 I HA -0.447 3.725 4.170 0.004 0.000 0.133 183 I C -0.959 175.162 176.117 0.006 0.000 1.812 183 I CA 0.668 61.970 61.300 0.003 0.000 2.105 183 I CB -1.986 36.005 38.000 -0.014 0.000 3.414 183 I HN -0.094 8.129 8.210 0.022 0.000 0.192 184 A N 1.884 124.714 122.820 0.016 0.000 3.074 184 A HA -0.039 4.291 4.320 0.016 0.000 0.251 184 A C -0.602 176.994 177.584 0.020 0.000 1.695 184 A CA 0.755 52.803 52.037 0.019 0.000 1.343 184 A CB -1.724 17.291 19.000 0.025 0.000 1.078 184 A HN 0.230 8.345 8.150 0.022 0.048 0.644 185 S N -1.031 114.678 115.700 0.015 0.000 1.946 185 S HA -0.021 4.460 4.470 0.017 0.000 0.223 185 S C 0.625 175.230 174.600 0.010 0.000 0.832 185 S CA 0.851 59.061 58.200 0.016 0.000 1.453 185 S CB 0.907 64.121 63.200 0.022 0.000 0.947 185 S HN 0.098 8.335 8.310 0.010 0.078 0.408 186 G N 0.787 109.589 108.800 0.003 0.000 2.958 186 G HA2 0.262 4.215 3.960 -0.013 0.000 0.225 186 G HA3 0.262 4.348 3.960 -0.008 -0.130 0.225 186 G C 0.332 175.218 174.900 -0.023 0.000 1.036 186 G CA 0.135 45.229 45.100 -0.010 0.000 0.880 186 G HN -0.594 7.699 8.290 0.004 0.000 0.557 187 G N 3.163 111.952 108.800 -0.018 0.000 3.324 187 G HA2 -0.036 3.902 3.960 -0.037 0.000 0.232 187 G HA3 -0.036 3.994 3.960 -0.028 -0.086 0.232 187 G C -0.276 174.603 174.900 -0.034 0.000 1.213 187 G CA -0.122 44.960 45.100 -0.030 0.000 1.637 187 G HN 0.049 8.334 8.290 -0.009 0.000 0.572 188 V N -0.617 119.278 119.914 -0.031 0.000 1.909 188 V HA -0.052 4.056 4.120 -0.020 0.000 0.253 188 V C -0.981 175.089 176.094 -0.040 0.000 1.734 188 V CA 0.478 62.762 62.300 -0.028 0.000 1.661 188 V CB -2.286 29.524 31.823 -0.021 0.000 1.552 188 V HN 0.456 8.484 8.190 -0.032 0.144 0.506 189 L N 3.566 124.755 121.223 -0.057 0.000 2.445 189 L HA 0.236 4.545 4.340 -0.052 0.000 0.207 189 L C -0.242 176.577 176.870 -0.085 0.000 1.053 189 L CA 1.671 56.473 54.840 -0.064 0.000 0.841 189 L CB -0.984 41.036 42.059 -0.065 0.000 1.074 189 L HN 0.630 8.742 8.230 -0.063 0.080 0.479 190 P HA -0.032 4.286 4.420 -0.170 0.000 0.194 190 P C -0.469 176.729 177.300 -0.170 0.000 1.105 190 P CA 0.153 63.111 63.100 -0.237 0.000 0.797 190 P CB -0.387 31.036 31.700 -0.462 0.000 0.687 191 H N -0.627 118.439 119.070 -0.007 0.000 2.928 191 H HA 0.024 4.577 4.556 -0.006 0.000 0.338 191 H C -0.078 175.245 175.328 -0.008 0.000 1.047 191 H CA -0.300 55.744 56.048 -0.006 0.000 1.435 191 H CB 0.763 30.522 29.762 -0.004 0.000 1.428 191 H HN -0.066 7.704 8.280 -0.849 0.000 0.590 192 I N 0.000 120.640 120.570 0.116 0.000 2.984 192 I HA 0.000 4.194 4.170 0.039 0.000 0.288 192 I CA 0.000 61.333 61.300 0.056 0.000 1.566 192 I CB 0.000 38.020 38.000 0.033 0.000 1.214 192 I HN 0.000 8.286 8.210 0.127 0.000 0.494