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 1zrr_1_A DATA FIRST_RESID 1 DATA SEQUENCE SALTIFSVKD PQNSLWHSTN AEEIQQQLNA KGVRFERWQA DRDLGAAPTA DATA SEQUENCE ETVIAAYQHA IDKLVAEKGY QSWDVISLRA DNPQKEALRE KFLNEHTHGE DATA SEQUENCE DEVRFFVEGA GLFCLHIGDE VFQVLCEKND LISVPAHTPH WFDMGSEPNF DATA SEQUENCE TAIRIFDNPE GWIAQFTGDD IASAYPRLA 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 4.444 4.470 -0.043 0.000 0.327 1 S C 0.000 174.577 174.600 -0.039 0.000 1.055 1 S CA 0.000 58.177 58.200 -0.039 0.000 1.107 1 S CB 0.000 63.175 63.200 -0.041 0.000 0.593 2 A N 1.702 124.498 122.820 -0.041 0.000 2.256 2 A HA 0.454 4.736 4.320 -0.064 0.000 0.318 2 A C -1.950 175.614 177.584 -0.033 0.000 1.103 2 A CA -1.820 50.193 52.037 -0.041 0.000 0.860 2 A CB 2.313 21.306 19.000 -0.013 0.000 1.182 2 A HN 0.020 8.146 8.150 -0.040 0.000 0.501 3 L N -0.207 121.011 121.223 -0.009 0.000 2.639 3 L HA 0.439 4.849 4.340 -0.057 -0.104 0.264 3 L C -2.409 174.478 176.870 0.027 0.000 0.948 3 L CA 0.479 55.314 54.840 -0.008 0.000 0.912 3 L CB 3.480 45.521 42.059 -0.030 0.000 1.294 3 L HN -0.224 7.979 8.230 -0.045 0.000 0.412 4 T N 7.977 122.496 114.554 -0.057 0.000 2.797 4 T HA 0.490 4.792 4.350 -0.080 0.000 0.279 4 T C -1.294 173.136 174.700 -0.450 0.000 0.991 4 T CA -0.901 61.103 62.100 -0.160 0.000 0.979 4 T CB 1.657 70.523 68.868 -0.004 0.000 0.943 4 T HN 0.843 8.962 8.240 -0.055 0.088 0.444 5 I N 3.761 123.922 120.570 -0.681 0.000 2.498 5 I HA 0.213 4.013 4.170 -0.616 0.000 0.290 5 I C -1.853 173.773 176.117 -0.819 0.000 1.032 5 I CA -0.763 60.101 61.300 -0.727 0.000 1.073 5 I CB 3.250 40.761 38.000 -0.815 0.000 1.251 5 I HN -0.265 7.590 8.210 -0.591 0.000 0.426 6 F N 4.346 124.213 119.950 -0.138 0.000 2.618 6 F HA 0.702 5.360 4.527 -0.014 -0.140 0.332 6 F C -0.377 175.407 175.800 -0.027 0.000 1.061 6 F CA -1.773 56.200 58.000 -0.044 0.000 0.974 6 F CB 4.265 43.263 39.000 -0.003 0.000 1.310 6 F HN -0.302 7.928 8.300 -0.117 0.000 0.491 7 S N -0.033 115.802 115.700 0.225 0.000 2.681 7 S HA 0.160 4.690 4.470 0.100 0.000 0.270 7 S C 1.003 175.697 174.600 0.156 0.000 1.209 7 S CA -1.101 57.183 58.200 0.140 0.000 0.988 7 S CB 2.138 65.409 63.200 0.119 0.000 1.006 7 S HN -0.270 8.212 8.310 0.287 0.000 0.558 8 V N -2.891 117.104 119.914 0.135 0.000 2.725 8 V HA -0.020 4.214 4.120 0.190 0.000 0.247 8 V C 1.607 177.779 176.094 0.131 0.000 1.058 8 V CA 1.826 64.223 62.300 0.162 0.000 1.080 8 V CB -0.376 31.564 31.823 0.194 0.000 0.713 8 V HN 0.362 8.623 8.190 0.119 0.000 0.465 9 K N -0.018 120.445 120.400 0.104 0.000 2.103 9 K HA -0.108 4.252 4.320 0.067 0.000 0.204 9 K C -0.265 176.375 176.600 0.067 0.000 1.052 9 K CA 1.486 57.818 56.287 0.075 0.000 0.945 9 K CB 0.563 33.100 32.500 0.062 0.000 0.722 9 K HN -0.202 8.110 8.250 0.103 0.000 0.443 10 D N -2.151 118.300 120.400 0.085 0.000 2.788 10 D HA 0.434 5.100 4.640 0.044 0.000 0.247 10 D C -1.672 174.692 176.300 0.107 0.000 1.236 10 D CA -2.465 51.578 54.000 0.071 0.000 0.898 10 D CB 1.823 42.661 40.800 0.063 0.000 1.401 10 D HN -0.296 8.136 8.370 0.103 0.000 0.549 11 P HA 0.030 4.534 4.420 0.138 0.000 0.220 11 P C -0.547 176.677 177.300 -0.126 0.000 1.154 11 P CA 1.380 64.487 63.100 0.012 0.000 0.830 11 P CB 1.126 32.791 31.700 -0.059 0.000 0.803 12 Q N -4.926 114.837 119.800 -0.062 0.000 2.541 12 Q HA -0.179 4.094 4.340 -0.113 0.000 0.215 12 Q C -0.691 175.378 176.000 0.114 0.000 0.977 12 Q CA 0.488 56.273 55.803 -0.031 0.000 0.934 12 Q CB -1.101 27.620 28.738 -0.028 0.000 0.988 12 Q HN 0.097 8.342 8.270 -0.042 0.000 0.521 13 N N 1.330 120.156 118.700 0.211 0.000 2.446 13 N HA 0.191 5.028 4.740 0.161 0.000 0.265 13 N C -1.805 173.921 175.510 0.360 0.000 0.975 13 N CA -1.129 52.054 53.050 0.222 0.000 0.928 13 N CB 1.752 40.319 38.487 0.135 0.000 1.160 13 N HN -0.779 7.603 8.380 0.199 0.118 0.495 14 S N 2.541 118.370 115.700 0.214 0.000 2.438 14 S HA 0.343 4.822 4.470 -0.226 -0.145 0.293 14 S C 0.754 175.317 174.600 -0.062 0.000 1.141 14 S CA -1.021 57.132 58.200 -0.079 0.000 1.080 14 S CB 0.650 63.698 63.200 -0.253 0.000 0.978 14 S HN 0.265 8.669 8.310 0.156 0.000 0.479 15 L N -1.091 120.093 121.223 -0.066 0.000 2.567 15 L HA 0.380 4.724 4.340 0.008 0.000 0.225 15 L C -0.133 176.771 176.870 0.056 0.000 1.119 15 L CA 0.218 55.060 54.840 0.003 0.000 0.871 15 L CB 0.494 42.569 42.059 0.028 0.000 1.036 15 L HN -0.206 7.951 8.230 -0.121 0.000 0.459 16 W N 0.005 121.161 121.300 -0.240 0.000 3.097 16 W HA 0.161 4.730 4.660 -0.152 0.000 0.325 16 W C -2.460 173.915 176.519 -0.241 0.000 1.056 16 W CA 0.199 57.408 57.345 -0.226 0.000 1.254 16 W CB 1.993 31.287 29.460 -0.276 0.000 1.202 16 W HN -0.916 7.164 8.180 -0.083 0.051 0.400 17 H N 8.345 127.086 119.070 -0.549 0.000 2.646 17 H HA 0.624 5.025 4.556 -0.258 0.000 0.328 17 H C -1.147 173.707 175.328 -0.789 0.000 0.998 17 H CA -0.358 55.406 56.048 -0.474 0.000 1.225 17 H CB 1.272 30.851 29.762 -0.305 0.000 1.457 17 H HN -0.048 7.956 8.280 -0.460 0.000 0.505 18 S N 4.932 119.877 115.700 -1.258 0.000 2.611 18 S HA 0.205 4.184 4.470 -0.819 0.000 0.268 18 S C -2.275 172.051 174.600 -0.458 0.000 1.156 18 S CA -0.091 57.526 58.200 -0.972 0.000 0.817 18 S CB 2.437 64.866 63.200 -1.284 0.000 1.122 18 S HN 0.056 7.873 8.310 -0.821 0.000 0.466 19 T N 2.405 116.794 114.554 -0.275 0.000 3.068 19 T HA 0.183 4.569 4.350 -0.069 -0.078 0.364 19 T C -1.876 172.793 174.700 -0.052 0.000 1.161 19 T CA -0.795 61.234 62.100 -0.118 0.000 1.155 19 T CB 0.492 69.284 68.868 -0.126 0.000 1.060 19 T HN 0.061 8.132 8.240 -0.280 0.000 0.513 20 N N 5.289 123.995 118.700 0.011 0.000 2.265 20 N HA 0.189 4.922 4.740 -0.011 0.000 0.300 20 N C -0.583 174.926 175.510 -0.001 0.000 1.148 20 N CA -0.838 52.217 53.050 0.008 0.000 0.772 20 N CB 2.692 41.199 38.487 0.033 0.000 1.434 20 N HN -0.197 8.225 8.380 0.069 0.000 0.481 21 A N 1.335 124.155 122.820 0.001 0.000 1.878 21 A HA 0.041 4.380 4.320 0.033 0.000 0.213 21 A C 1.207 178.788 177.584 -0.005 0.000 1.192 21 A CA 2.466 54.516 52.037 0.021 0.000 0.619 21 A CB 0.376 19.399 19.000 0.039 0.000 0.837 21 A HN 0.486 8.636 8.150 0.001 0.000 0.446 22 E N -2.414 117.777 120.200 -0.015 0.000 2.060 22 E HA -0.160 4.163 4.350 -0.046 0.000 0.189 22 E C 1.588 178.135 176.600 -0.090 0.000 0.974 22 E CA 2.565 58.939 56.400 -0.043 0.000 0.808 22 E CB -0.753 28.940 29.700 -0.012 0.000 0.768 22 E HN 0.280 8.639 8.360 -0.002 0.000 0.453 23 E N -0.697 119.479 120.200 -0.040 0.000 2.265 23 E HA -0.214 4.270 4.350 -0.026 -0.149 0.196 23 E C 2.136 178.682 176.600 -0.090 0.000 0.996 23 E CA 2.810 59.203 56.400 -0.012 0.000 0.832 23 E CB -0.844 28.913 29.700 0.094 0.000 0.756 23 E HN 0.466 8.818 8.360 -0.014 0.000 0.491 24 I N -1.162 119.318 120.570 -0.150 0.000 2.162 24 I HA -0.464 3.504 4.170 -0.337 0.000 0.238 24 I C 1.295 177.087 176.117 -0.542 0.000 1.076 24 I CA 3.640 64.754 61.300 -0.311 0.000 1.353 24 I CB -0.084 37.768 38.000 -0.246 0.000 1.063 24 I HN -0.758 7.353 8.210 -0.106 0.036 0.408 25 Q N -0.425 118.893 119.800 -0.804 0.000 2.096 25 Q HA -0.495 2.910 4.340 -1.558 0.000 0.204 25 Q C 2.387 178.065 176.000 -0.537 0.000 0.982 25 Q CA 3.275 58.388 55.803 -1.150 0.000 0.850 25 Q CB -0.587 27.402 28.738 -1.248 0.000 0.901 25 Q HN -0.642 7.225 8.270 -0.670 0.000 0.422 26 Q N -2.111 117.484 119.800 -0.342 0.000 2.181 26 Q HA -0.378 3.854 4.340 -0.180 0.000 0.205 26 Q C 2.601 178.468 176.000 -0.222 0.000 0.980 26 Q CA 2.821 58.498 55.803 -0.210 0.000 0.862 26 Q CB -0.436 28.225 28.738 -0.129 0.000 0.905 26 Q HN -0.039 8.040 8.270 -0.318 0.001 0.429 27 Q N 0.026 119.658 119.800 -0.280 0.000 1.969 27 Q HA -0.249 3.954 4.340 -0.230 0.000 0.198 27 Q C 2.515 178.356 176.000 -0.266 0.000 0.978 27 Q CA 3.037 58.668 55.803 -0.287 0.000 0.830 27 Q CB 0.067 28.498 28.738 -0.512 0.000 0.896 27 Q HN -0.507 7.443 8.270 -0.319 0.128 0.431 28 L N -3.557 117.490 121.223 -0.294 0.000 1.988 28 L HA -0.312 3.624 4.340 -0.673 0.000 0.207 28 L C 2.338 179.011 176.870 -0.329 0.000 1.071 28 L CA 3.439 58.035 54.840 -0.406 0.000 0.744 28 L CB -0.874 40.995 42.059 -0.317 0.000 0.893 28 L HN -0.315 7.723 8.230 -0.319 0.000 0.433 29 N N 0.144 118.675 118.700 -0.282 0.000 2.184 29 N HA -0.411 4.459 4.740 -0.131 -0.209 0.190 29 N C 1.948 177.364 175.510 -0.157 0.000 1.011 29 N CA 3.222 56.166 53.050 -0.178 0.000 0.867 29 N CB -0.055 38.339 38.487 -0.156 0.000 0.993 29 N HN 0.488 8.559 8.380 -0.359 0.093 0.433 30 A N -0.267 122.445 122.820 -0.179 0.000 2.070 30 A HA -0.102 4.155 4.320 -0.105 0.000 0.220 30 A C 1.135 178.628 177.584 -0.152 0.000 1.159 30 A CA 2.347 54.300 52.037 -0.139 0.000 0.656 30 A CB -0.289 18.631 19.000 -0.132 0.000 0.800 30 A HN -0.443 7.462 8.150 -0.214 0.117 0.453 31 K N -3.313 116.955 120.400 -0.220 0.000 2.437 31 K HA 0.059 4.273 4.320 -0.176 0.000 0.198 31 K C -0.315 176.180 176.600 -0.175 0.000 1.024 31 K CA -0.840 55.310 56.287 -0.229 0.000 1.148 31 K CB -0.004 32.262 32.500 -0.389 0.000 0.860 31 K HN 0.089 7.984 8.250 -0.269 0.194 0.515 32 G N -1.997 106.723 108.800 -0.133 0.000 2.130 32 G HA2 -0.265 3.661 3.960 -0.058 0.000 0.216 32 G HA3 -0.265 3.651 3.960 -0.075 0.000 0.216 32 G C -0.560 174.293 174.900 -0.078 0.000 0.999 32 G CA -0.160 44.890 45.100 -0.084 0.000 0.686 32 G HN -0.183 7.827 8.290 -0.132 0.200 0.515 33 V N -0.756 119.094 119.914 -0.106 0.000 2.617 33 V HA 0.003 4.092 4.120 -0.051 0.000 0.298 33 V C -0.311 175.789 176.094 0.010 0.000 1.048 33 V CA -0.904 61.355 62.300 -0.069 0.000 0.964 33 V CB 0.957 32.699 31.823 -0.134 0.000 1.004 33 V HN -0.825 7.178 8.190 -0.141 0.102 0.466 34 R N 5.487 126.028 120.500 0.067 0.000 2.528 34 R HA 0.168 4.574 4.340 0.110 0.000 0.271 34 R C -1.918 174.524 176.300 0.236 0.000 1.056 34 R CA -0.139 56.034 56.100 0.122 0.000 1.117 34 R CB 2.209 32.577 30.300 0.112 0.000 1.085 34 R HN -0.320 7.984 8.270 0.056 0.000 0.530 35 F N 0.143 120.078 119.950 -0.025 0.000 2.641 35 F HA 0.634 5.269 4.527 -0.107 -0.173 0.308 35 F C -1.233 174.549 175.800 -0.031 0.000 1.105 35 F CA -0.551 57.409 58.000 -0.066 0.000 0.964 35 F CB 3.771 42.721 39.000 -0.082 0.000 1.294 35 F HN 0.179 8.602 8.300 0.204 0.000 0.442 36 E N 1.833 121.793 120.200 -0.400 0.000 2.421 36 E HA 0.234 4.589 4.350 0.009 0.000 0.278 36 E C -2.742 173.601 176.600 -0.427 0.000 1.141 36 E CA 0.004 56.290 56.400 -0.190 0.000 0.880 36 E CB 4.388 34.114 29.700 0.043 0.000 1.381 36 E HN 0.229 7.980 8.360 -1.015 0.000 0.436 37 R N 0.615 120.992 120.500 -0.204 0.000 2.549 37 R HA 0.292 4.373 4.340 -0.431 0.000 0.291 37 R C -1.627 174.756 176.300 0.138 0.000 1.164 37 R CA -0.263 55.712 56.100 -0.209 0.000 0.973 37 R CB 1.698 31.939 30.300 -0.098 0.000 1.210 37 R HN 0.275 8.590 8.270 0.075 0.000 0.422 38 W N 5.547 126.873 121.300 0.043 0.000 2.639 38 W HA 0.364 5.041 4.660 0.029 0.000 0.347 38 W C -1.015 175.470 176.519 -0.055 0.000 1.067 38 W CA -1.912 55.443 57.345 0.017 0.000 1.218 38 W CB 0.915 30.376 29.460 0.001 0.000 1.393 38 W HN 0.241 8.323 8.180 -0.164 0.000 0.557 39 Q N -0.865 119.053 119.800 0.197 0.000 2.553 39 Q HA 0.226 4.578 4.340 0.020 0.000 0.293 39 Q C -1.277 174.851 176.000 0.213 0.000 1.038 39 Q CA -1.629 54.240 55.803 0.110 0.000 0.777 39 Q CB 4.085 32.894 28.738 0.117 0.000 1.487 39 Q HN -0.085 8.334 8.270 0.249 0.000 0.426 40 A N 0.438 123.438 122.820 0.300 0.000 2.279 40 A HA 0.183 4.789 4.320 0.476 0.000 0.303 40 A C -0.233 177.471 177.584 0.201 0.000 1.108 40 A CA -0.335 51.933 52.037 0.385 0.000 0.830 40 A CB 0.940 20.195 19.000 0.424 0.000 1.106 40 A HN 0.171 8.468 8.150 0.246 0.000 0.493 41 D N -1.093 119.397 120.400 0.149 0.000 2.392 41 D HA 0.043 4.732 4.640 0.083 0.000 0.206 41 D C 0.229 176.569 176.300 0.067 0.000 1.046 41 D CA 0.809 54.859 54.000 0.084 0.000 0.865 41 D CB 0.407 41.236 40.800 0.047 0.000 0.969 41 D HN 0.151 8.617 8.370 0.159 0.000 0.509 42 R N -0.011 120.532 120.500 0.072 0.000 2.549 42 R HA 0.186 4.548 4.340 0.038 0.000 0.259 42 R C -0.564 175.772 176.300 0.060 0.000 1.095 42 R CA -0.911 55.218 56.100 0.050 0.000 1.148 42 R CB 0.658 30.977 30.300 0.032 0.000 1.181 42 R HN -0.509 7.818 8.270 0.094 0.000 0.571 43 D N 0.454 120.881 120.400 0.045 0.000 2.313 43 D HA 0.105 4.780 4.640 0.059 0.000 0.239 43 D C -0.182 176.146 176.300 0.046 0.000 1.142 43 D CA -0.249 53.780 54.000 0.048 0.000 0.847 43 D CB 0.032 40.854 40.800 0.036 0.000 1.082 43 D HN 0.057 8.447 8.370 0.034 0.000 0.480 44 L N 3.785 125.044 121.223 0.061 0.000 2.416 44 L HA 0.280 4.644 4.340 0.039 0.000 0.262 44 L C 0.415 177.314 176.870 0.048 0.000 1.093 44 L CA -0.131 54.742 54.840 0.055 0.000 0.801 44 L CB 1.267 43.375 42.059 0.081 0.000 1.191 44 L HN 0.111 8.386 8.230 0.075 0.000 0.459 45 G N 0.172 108.996 108.800 0.040 0.000 3.504 45 G HA2 -0.073 3.911 3.960 0.040 0.000 0.162 45 G HA3 -0.073 3.904 3.960 0.029 0.000 0.162 45 G C -1.335 173.584 174.900 0.032 0.000 1.311 45 G CA 0.248 45.369 45.100 0.035 0.000 1.322 45 G HN 0.045 8.356 8.290 0.035 0.000 0.738 46 A N 2.655 125.489 122.820 0.023 0.000 2.666 46 A HA 0.230 4.564 4.320 0.023 0.000 0.301 46 A C -0.567 177.027 177.584 0.017 0.000 1.470 46 A CA -0.186 51.863 52.037 0.020 0.000 1.159 46 A CB -1.107 17.902 19.000 0.015 0.000 1.116 46 A HN 0.148 8.310 8.150 0.020 0.000 0.548 47 A N 4.164 126.998 122.820 0.023 0.000 2.508 47 A HA 0.433 4.759 4.320 0.009 0.000 0.336 47 A C -1.161 176.432 177.584 0.017 0.000 1.360 47 A CA -2.050 49.997 52.037 0.018 0.000 0.841 47 A CB -0.410 18.607 19.000 0.028 0.000 1.136 47 A HN -0.036 8.132 8.150 0.030 0.000 0.489 48 P HA -0.035 4.391 4.420 0.009 0.000 0.224 48 P C -0.750 176.548 177.300 -0.002 0.000 1.157 48 P CA 0.290 63.393 63.100 0.005 0.000 0.799 48 P CB 0.711 32.411 31.700 0.001 0.000 0.809 49 T N -4.577 109.973 114.554 -0.006 0.000 2.856 49 T HA 0.217 4.556 4.350 -0.018 0.000 0.283 49 T C -0.224 174.468 174.700 -0.013 0.000 1.008 49 T CA -2.085 60.006 62.100 -0.015 0.000 0.997 49 T CB 2.656 71.512 68.868 -0.020 0.000 0.992 49 T HN -0.556 7.654 8.240 -0.005 0.027 0.454 50 A N 5.346 128.157 122.820 -0.014 0.000 2.072 50 A HA -0.105 4.220 4.320 0.009 0.000 0.216 50 A C 1.800 179.370 177.584 -0.023 0.000 1.156 50 A CA 1.900 53.935 52.037 -0.004 0.000 0.701 50 A CB -0.331 18.674 19.000 0.008 0.000 0.816 50 A HN 0.746 8.883 8.150 -0.022 0.000 0.458 51 E N -1.526 118.656 120.200 -0.030 0.000 2.169 51 E HA -0.349 3.980 4.350 -0.036 0.000 0.202 51 E C 2.055 178.619 176.600 -0.060 0.000 1.016 51 E CA 3.594 59.970 56.400 -0.040 0.000 0.817 51 E CB -0.418 29.260 29.700 -0.036 0.000 0.736 51 E HN 0.586 8.894 8.360 -0.028 0.035 0.462 52 T N -3.626 110.891 114.554 -0.061 0.000 2.942 52 T HA -0.163 4.135 4.350 -0.086 0.000 0.265 52 T C 2.008 176.624 174.700 -0.139 0.000 1.062 52 T CA 3.517 65.567 62.100 -0.084 0.000 1.139 52 T CB 0.060 68.891 68.868 -0.062 0.000 0.883 52 T HN -0.340 7.857 8.240 -0.046 0.015 0.468 53 V N 3.128 122.968 119.914 -0.122 0.000 2.307 53 V HA -0.433 3.509 4.120 -0.297 0.000 0.245 53 V C 1.928 177.815 176.094 -0.346 0.000 1.045 53 V CA 3.487 65.662 62.300 -0.208 0.000 1.024 53 V CB -0.089 31.726 31.823 -0.014 0.000 0.651 53 V HN -0.885 7.146 8.190 -0.070 0.117 0.449 54 I N -1.768 118.715 120.570 -0.144 0.000 2.286 54 I HA -0.455 3.699 4.170 -0.025 0.000 0.248 54 I C 1.775 177.764 176.117 -0.212 0.000 1.115 54 I CA 1.335 62.571 61.300 -0.108 0.000 1.392 54 I CB -1.996 35.989 38.000 -0.026 0.000 1.065 54 I HN 0.443 8.501 8.210 -0.075 0.106 0.418 55 A N -1.327 121.373 122.820 -0.200 0.000 2.019 55 A HA -0.325 3.899 4.320 -0.159 0.000 0.219 55 A C 1.451 178.904 177.584 -0.219 0.000 1.164 55 A CA 2.868 54.798 52.037 -0.179 0.000 0.644 55 A CB -1.051 17.870 19.000 -0.130 0.000 0.805 55 A HN -0.477 7.561 8.150 -0.168 0.011 0.449 56 A N -3.852 118.738 122.820 -0.383 0.000 2.119 56 A HA -0.143 4.084 4.320 -0.155 0.000 0.216 56 A C 0.186 177.553 177.584 -0.361 0.000 1.152 56 A CA 1.754 53.543 52.037 -0.413 0.000 0.708 56 A CB 0.194 18.797 19.000 -0.661 0.000 0.805 56 A HN -0.408 7.316 8.150 -0.460 0.150 0.460 57 Y N -6.546 113.640 120.300 -0.190 0.000 2.453 57 Y HA 0.010 4.095 4.550 -0.774 0.000 0.247 57 Y C 1.151 176.625 175.900 -0.709 0.000 1.124 57 Y CA -0.722 57.068 58.100 -0.517 0.000 1.243 57 Y CB 1.142 39.414 38.460 -0.314 0.000 1.213 57 Y HN -0.627 7.154 8.280 -0.533 0.179 0.523 58 Q N 1.373 120.961 119.800 -0.353 0.000 2.152 58 Q HA -0.455 3.665 4.340 -0.366 0.000 0.206 58 Q C 1.424 177.186 176.000 -0.396 0.000 0.985 58 Q CA 3.670 59.264 55.803 -0.349 0.000 0.863 58 Q CB -0.596 27.992 28.738 -0.249 0.000 0.904 58 Q HN 0.647 8.550 8.270 -0.283 0.197 0.422 59 H N -2.624 116.341 119.070 -0.174 0.000 2.353 59 H HA -0.354 4.095 4.556 -0.179 0.000 0.298 59 H C 1.351 176.531 175.328 -0.246 0.000 1.103 59 H CA 2.515 58.454 56.048 -0.182 0.000 1.293 59 H CB -0.724 28.956 29.762 -0.137 0.000 1.372 59 H HN 0.062 8.167 8.280 -0.285 0.004 0.501 60 A N -0.642 121.715 122.820 -0.772 0.000 1.845 60 A HA -0.288 3.809 4.320 -0.371 0.000 0.215 60 A C 2.423 179.673 177.584 -0.558 0.000 1.195 60 A CA 2.628 54.280 52.037 -0.642 0.000 0.616 60 A CB -0.571 17.773 19.000 -1.094 0.000 0.832 60 A HN -0.182 6.775 8.150 -1.830 0.096 0.443 61 I N -3.259 117.010 120.570 -0.503 0.000 2.454 61 I HA -0.442 3.615 4.170 -0.189 0.000 0.254 61 I C 1.147 177.005 176.117 -0.431 0.000 1.156 61 I CA 2.047 63.129 61.300 -0.364 0.000 1.433 61 I CB -0.482 37.288 38.000 -0.384 0.000 1.082 61 I HN -0.606 7.284 8.210 -0.532 0.000 0.432 62 D N -0.221 119.939 120.400 -0.401 0.000 2.221 62 D HA -0.375 4.039 4.640 -0.378 0.000 0.204 62 D C 2.026 178.209 176.300 -0.196 0.000 0.982 62 D CA 3.899 57.715 54.000 -0.307 0.000 0.857 62 D CB -0.046 40.625 40.800 -0.215 0.000 0.934 62 D HN 0.759 8.663 8.370 -0.401 0.225 0.475 63 K N -1.720 118.576 120.400 -0.172 0.000 2.137 63 K HA -0.161 4.114 4.320 -0.076 0.000 0.202 63 K C 1.691 178.264 176.600 -0.046 0.000 1.052 63 K CA 2.452 58.680 56.287 -0.098 0.000 0.961 63 K CB -0.028 32.412 32.500 -0.101 0.000 0.741 63 K HN -0.489 7.470 8.250 -0.221 0.158 0.452 64 L N 0.801 122.001 121.223 -0.038 0.000 2.027 64 L HA -0.225 4.181 4.340 0.111 0.000 0.206 64 L C 1.780 178.743 176.870 0.156 0.000 1.074 64 L CA 3.115 58.015 54.840 0.099 0.000 0.745 64 L CB 0.222 42.403 42.059 0.204 0.000 0.898 64 L HN -0.793 7.278 8.230 -0.111 0.093 0.433 65 V N -1.017 118.939 119.914 0.070 0.000 2.515 65 V HA -0.440 3.958 4.120 0.463 0.000 0.250 65 V C 1.199 177.355 176.094 0.104 0.000 1.058 65 V CA 2.750 65.158 62.300 0.180 0.000 1.064 65 V CB -0.483 31.287 31.823 -0.088 0.000 0.675 65 V HN 0.349 8.471 8.190 -0.112 0.000 0.461 66 A N -1.184 121.644 122.820 0.013 0.000 1.892 66 A HA -0.369 3.953 4.320 0.003 0.000 0.218 66 A C 2.070 179.675 177.584 0.035 0.000 1.188 66 A CA 3.014 55.056 52.037 0.008 0.000 0.631 66 A CB -0.571 18.417 19.000 -0.020 0.000 0.822 66 A HN -0.636 7.394 8.150 -0.037 0.098 0.447 67 E N -2.682 117.549 120.200 0.052 0.000 2.033 67 E HA -0.134 4.235 4.350 0.031 0.000 0.189 67 E C 1.961 178.594 176.600 0.055 0.000 0.979 67 E CA 1.338 57.768 56.400 0.049 0.000 0.802 67 E CB 0.203 29.936 29.700 0.056 0.000 0.763 67 E HN -0.677 7.717 8.360 0.057 0.000 0.449 68 K N -2.905 117.559 120.400 0.108 0.000 2.476 68 K HA 0.067 4.364 4.320 -0.039 0.000 0.196 68 K C 0.439 177.051 176.600 0.020 0.000 1.025 68 K CA -1.670 54.649 56.287 0.053 0.000 1.138 68 K CB -0.515 32.129 32.500 0.239 0.000 0.860 68 K HN -0.354 7.989 8.250 0.154 0.000 0.515 69 G N -0.063 108.795 108.800 0.096 0.000 2.763 69 G HA2 -0.366 3.776 3.960 0.185 0.000 0.338 69 G HA3 -0.366 3.636 3.960 0.069 0.000 0.338 69 G C -0.881 174.085 174.900 0.111 0.000 0.205 69 G CA 1.095 46.268 45.100 0.122 0.000 1.196 69 G HN -0.509 7.721 8.290 0.087 0.112 0.417 70 Y N 1.724 122.146 120.300 0.203 0.000 2.281 70 Y HA -0.191 4.459 4.550 0.155 -0.007 0.337 70 Y C 1.258 177.258 175.900 0.166 0.000 1.304 70 Y CA 0.753 58.965 58.100 0.187 0.000 1.465 70 Y CB 0.901 39.488 38.460 0.212 0.000 1.350 70 Y HN -0.587 8.054 8.280 0.601 0.000 0.575 71 Q N 0.582 120.580 119.800 0.330 0.000 2.096 71 Q HA -0.213 4.228 4.340 0.168 0.000 0.204 71 Q C -0.088 176.052 176.000 0.233 0.000 0.982 71 Q CA 2.067 58.010 55.803 0.233 0.000 0.850 71 Q CB 0.789 29.665 28.738 0.230 0.000 0.901 71 Q HN 0.476 8.978 8.270 0.385 0.000 0.422 72 S N -5.768 110.099 115.700 0.278 0.000 2.615 72 S HA 0.129 4.684 4.470 0.142 0.000 0.269 72 S C -2.660 171.996 174.600 0.093 0.000 1.161 72 S CA -0.540 57.751 58.200 0.150 0.000 0.817 72 S CB 1.555 64.806 63.200 0.085 0.000 1.131 72 S HN -0.602 7.913 8.310 0.354 0.007 0.467 73 W N 1.748 122.880 121.300 -0.281 0.000 2.883 73 W HA 0.398 4.930 4.660 -0.213 0.000 0.335 73 W C -1.931 174.273 176.519 -0.525 0.000 1.083 73 W CA -0.444 56.724 57.345 -0.296 0.000 1.233 73 W CB 3.390 32.766 29.460 -0.139 0.000 1.412 73 W HN 0.311 8.468 8.180 -0.037 0.000 0.490 74 D N 2.163 122.259 120.400 -0.507 0.000 2.713 74 D HA 0.217 4.790 4.640 -0.112 0.000 0.306 74 D C -2.771 173.463 176.300 -0.111 0.000 1.299 74 D CA -1.291 52.518 54.000 -0.319 0.000 0.823 74 D CB 4.025 44.389 40.800 -0.727 0.000 1.353 74 D HN 0.325 8.231 8.370 -0.773 0.000 0.447 75 V N -3.594 116.306 119.914 -0.022 0.000 2.769 75 V HA 0.509 4.668 4.120 -0.029 -0.056 0.312 75 V C -1.291 174.775 176.094 -0.046 0.000 1.061 75 V CA -2.454 59.836 62.300 -0.017 0.000 0.931 75 V CB 2.829 34.655 31.823 0.005 0.000 1.010 75 V HN 0.054 8.229 8.190 -0.025 0.000 0.433 76 I N 5.125 125.638 120.570 -0.095 0.000 2.312 76 I HA 0.138 4.233 4.170 -0.125 0.000 0.290 76 I C -1.284 174.612 176.117 -0.369 0.000 1.008 76 I CA -0.102 61.108 61.300 -0.150 0.000 1.226 76 I CB -0.084 37.864 38.000 -0.086 0.000 1.371 76 I HN -0.282 7.873 8.210 -0.093 0.000 0.468 77 S N 4.906 120.328 115.700 -0.463 0.000 2.333 77 S HA 0.168 3.872 4.470 -1.468 -0.115 0.250 77 S C -1.836 172.475 174.600 -0.482 0.000 0.959 77 S CA -0.071 57.685 58.200 -0.739 0.000 1.037 77 S CB 1.115 64.046 63.200 -0.449 0.000 1.215 77 S HN 0.059 8.184 8.310 -0.308 0.000 0.410 78 L N 3.235 124.167 121.223 -0.486 0.000 2.299 78 L HA 0.302 4.537 4.340 -0.175 0.000 0.268 78 L C -1.451 175.321 176.870 -0.162 0.000 1.012 78 L CA -1.279 53.429 54.840 -0.220 0.000 0.816 78 L CB 2.899 44.883 42.059 -0.125 0.000 1.355 78 L HN -0.054 7.761 8.230 -0.692 0.000 0.457 79 R N -0.570 119.882 120.500 -0.080 0.000 2.410 79 R HA 0.091 4.553 4.340 -0.049 -0.151 0.288 79 R C 0.730 177.028 176.300 -0.002 0.000 1.051 79 R CA -0.656 55.420 56.100 -0.041 0.000 1.021 79 R CB 1.402 31.686 30.300 -0.026 0.000 1.032 79 R HN 0.348 8.578 8.270 -0.066 0.000 0.481 80 A N 3.220 126.053 122.820 0.021 0.000 2.259 80 A HA -0.235 4.127 4.320 0.069 0.000 0.212 80 A C 0.323 177.927 177.584 0.033 0.000 1.178 80 A CA 2.023 54.089 52.037 0.047 0.000 0.734 80 A CB -0.702 18.332 19.000 0.056 0.000 0.774 80 A HN 0.661 8.821 8.150 0.016 0.000 0.481 81 D N -2.741 117.670 120.400 0.018 0.000 2.271 81 D HA -0.127 4.524 4.640 0.018 0.000 0.206 81 D C 0.066 176.374 176.300 0.014 0.000 0.967 81 D CA 0.179 54.188 54.000 0.015 0.000 0.867 81 D CB -0.110 40.694 40.800 0.008 0.000 0.960 81 D HN 0.101 8.337 8.370 0.011 0.140 0.509 82 N N 1.242 119.950 118.700 0.013 0.000 2.440 82 N HA 0.062 4.808 4.740 0.009 0.000 0.265 82 N C -0.304 175.219 175.510 0.021 0.000 1.239 82 N CA -1.362 51.696 53.050 0.013 0.000 0.909 82 N CB 0.251 38.743 38.487 0.007 0.000 1.066 82 N HN -0.349 8.037 8.380 0.009 0.000 0.474 83 P HA -0.017 4.418 4.420 0.024 0.000 0.241 83 P C 0.162 177.475 177.300 0.022 0.000 1.191 83 P CA 0.887 63.999 63.100 0.020 0.000 0.771 83 P CB 0.424 32.134 31.700 0.016 0.000 0.929 84 Q N -2.680 117.132 119.800 0.020 0.000 2.360 84 Q HA 0.003 4.355 4.340 0.020 0.000 0.202 84 Q C 0.937 176.954 176.000 0.027 0.000 0.915 84 Q CA 0.930 56.745 55.803 0.020 0.000 0.943 84 Q CB -0.748 27.997 28.738 0.013 0.000 1.064 84 Q HN 0.182 8.404 8.270 0.017 0.059 0.511 85 K N -0.171 120.252 120.400 0.039 0.000 2.026 85 K HA -0.343 4.016 4.320 0.064 0.000 0.208 85 K C 1.453 178.084 176.600 0.053 0.000 1.048 85 K CA 3.707 60.031 56.287 0.063 0.000 0.929 85 K CB -0.424 32.133 32.500 0.095 0.000 0.713 85 K HN -0.672 7.523 8.250 0.037 0.078 0.439 86 E N -0.327 119.898 120.200 0.043 0.000 2.077 86 E HA -0.271 4.099 4.350 0.034 0.000 0.193 86 E C 2.110 178.731 176.600 0.034 0.000 0.989 86 E CA 2.630 59.051 56.400 0.035 0.000 0.800 86 E CB -0.395 29.322 29.700 0.028 0.000 0.746 86 E HN -0.153 8.231 8.360 0.041 0.000 0.452 87 A N -0.705 122.134 122.820 0.031 0.000 1.972 87 A HA -0.196 4.144 4.320 0.033 0.000 0.219 87 A C 2.099 179.707 177.584 0.040 0.000 1.169 87 A CA 2.623 54.680 52.037 0.032 0.000 0.635 87 A CB -0.585 18.430 19.000 0.026 0.000 0.810 87 A HN -0.247 7.921 8.150 0.029 0.000 0.446 88 L N -1.225 120.016 121.223 0.031 0.000 1.994 88 L HA -0.363 3.989 4.340 0.021 0.000 0.208 88 L C 1.901 178.793 176.870 0.037 0.000 1.071 88 L CA 3.454 58.303 54.840 0.016 0.000 0.745 88 L CB -0.322 41.728 42.059 -0.015 0.000 0.892 88 L HN 0.221 8.260 8.230 0.028 0.208 0.431 89 R N -2.281 118.243 120.500 0.041 0.000 2.189 89 R HA -0.379 4.017 4.340 0.093 0.000 0.223 89 R C 2.084 178.466 176.300 0.137 0.000 1.092 89 R CA 3.026 59.177 56.100 0.086 0.000 0.989 89 R CB -0.692 29.640 30.300 0.054 0.000 0.876 89 R HN -0.527 7.763 8.270 0.033 0.000 0.457 90 E N 0.359 120.616 120.200 0.095 0.000 2.006 90 E HA -0.225 4.170 4.350 0.075 0.000 0.192 90 E C 2.829 179.493 176.600 0.107 0.000 0.993 90 E CA 2.640 59.090 56.400 0.083 0.000 0.808 90 E CB -0.629 29.102 29.700 0.052 0.000 0.764 90 E HN -0.487 7.772 8.360 0.072 0.145 0.449 91 K N -1.051 119.418 120.400 0.116 0.000 2.218 91 K HA -0.236 4.132 4.320 0.080 0.000 0.205 91 K C 2.113 178.812 176.600 0.165 0.000 1.046 91 K CA 2.766 59.127 56.287 0.123 0.000 0.933 91 K CB -0.260 32.320 32.500 0.133 0.000 0.728 91 K HN -0.620 7.689 8.250 0.099 0.000 0.454 92 F N -2.969 116.979 119.950 -0.005 0.000 2.664 92 F HA -0.115 4.364 4.527 -0.081 0.000 0.296 92 F C 0.978 176.829 175.800 0.084 0.000 1.125 92 F CA 1.000 58.993 58.000 -0.011 0.000 1.444 92 F CB 0.969 39.958 39.000 -0.019 0.000 1.114 92 F HN -0.846 7.524 8.300 0.329 0.128 0.576 93 L N -1.504 119.840 121.223 0.201 0.000 2.079 93 L HA -0.276 4.195 4.340 0.219 0.000 0.210 93 L C 0.227 177.150 176.870 0.088 0.000 1.081 93 L CA 1.580 56.509 54.840 0.148 0.000 0.752 93 L CB -0.692 41.412 42.059 0.076 0.000 0.896 93 L HN -0.350 7.808 8.230 0.194 0.189 0.433 94 N N -2.628 116.099 118.700 0.044 0.000 2.293 94 N HA -0.262 4.468 4.740 -0.018 0.000 0.253 94 N C -0.819 174.774 175.510 0.138 0.000 1.248 94 N CA 1.399 54.465 53.050 0.027 0.000 0.845 94 N CB 0.137 38.630 38.487 0.010 0.000 1.073 94 N HN -0.821 7.571 8.380 0.040 0.012 0.464 95 E N 4.064 124.322 120.200 0.096 0.000 2.392 95 E HA -0.173 4.471 4.350 0.491 0.000 0.256 95 E C -1.286 175.485 176.600 0.286 0.000 1.145 95 E CA 0.457 57.016 56.400 0.265 0.000 0.929 95 E CB 1.631 31.389 29.700 0.096 0.000 0.998 95 E HN 0.356 8.704 8.360 -0.019 0.000 0.442 96 H N -5.238 113.941 119.070 0.181 0.000 2.886 96 H HA 0.497 5.244 4.556 0.052 -0.159 0.259 96 H C -1.943 173.352 175.328 -0.054 0.000 1.492 96 H CA -0.712 55.342 56.048 0.011 0.000 1.163 96 H CB 1.326 30.970 29.762 -0.196 0.000 1.872 96 H HN -0.298 7.972 8.280 -0.017 0.000 0.631 97 T N -0.191 114.322 114.554 -0.070 0.000 3.291 97 T HA 0.368 4.437 4.350 -0.468 0.000 0.344 97 T C -2.018 172.586 174.700 -0.160 0.000 1.293 97 T CA -0.431 61.523 62.100 -0.242 0.000 1.108 97 T CB 1.565 70.393 68.868 -0.067 0.000 1.231 97 T HN -0.280 8.040 8.240 0.133 0.000 0.474 98 H N 5.544 124.759 119.070 0.242 0.000 2.502 98 H HA 0.301 5.128 4.556 0.451 0.000 0.338 98 H C 0.264 175.733 175.328 0.235 0.000 1.155 98 H CA -2.046 54.191 56.048 0.316 0.000 1.237 98 H CB 1.324 31.261 29.762 0.293 0.000 1.534 98 H HN 0.407 8.721 8.280 0.057 0.000 0.523 99 G N -1.736 107.281 108.800 0.361 0.000 2.744 99 G HA2 -0.185 3.930 3.960 0.258 0.000 0.211 99 G HA3 -0.185 3.901 3.960 0.209 0.000 0.211 99 G C -0.894 174.143 174.900 0.229 0.000 1.143 99 G CA 0.396 45.649 45.100 0.256 0.000 0.788 99 G HN -0.099 8.420 8.290 0.382 0.000 0.534 100 E N -1.446 118.917 120.200 0.271 0.000 2.355 100 E HA 0.221 4.673 4.350 0.170 0.000 0.261 100 E C -1.466 175.250 176.600 0.194 0.000 0.943 100 E CA -2.068 54.466 56.400 0.223 0.000 0.806 100 E CB 2.781 32.636 29.700 0.258 0.000 1.286 100 E HN -0.620 7.885 8.360 0.358 0.070 0.424 101 D N -0.040 120.471 120.400 0.185 0.000 2.382 101 D HA 0.113 4.926 4.640 0.041 -0.149 0.245 101 D C 0.075 176.380 176.300 0.008 0.000 1.120 101 D CA 0.616 54.672 54.000 0.094 0.000 0.890 101 D CB 0.802 41.680 40.800 0.130 0.000 1.201 101 D HN 0.060 8.560 8.370 0.216 0.000 0.433 102 E N 3.745 123.851 120.200 -0.158 0.000 2.042 102 E HA 0.228 4.433 4.350 -0.242 0.000 0.260 102 E C -0.619 175.946 176.600 -0.058 0.000 0.975 102 E CA -1.357 54.906 56.400 -0.229 0.000 0.799 102 E CB 0.725 30.152 29.700 -0.455 0.000 1.131 102 E HN 0.088 8.351 8.360 -0.161 0.000 0.423 103 V N 7.473 127.356 119.914 -0.051 0.000 2.530 103 V HA -0.172 4.012 4.120 0.106 0.000 0.282 103 V C -1.134 174.997 176.094 0.062 0.000 1.048 103 V CA 0.496 62.830 62.300 0.056 0.000 0.997 103 V CB 0.581 32.475 31.823 0.117 0.000 0.987 103 V HN 0.056 8.167 8.190 -0.132 0.000 0.477 104 R N 6.039 126.644 120.500 0.174 0.000 2.422 104 R HA 0.509 5.085 4.340 0.130 -0.158 0.307 104 R C -1.936 174.550 176.300 0.310 0.000 1.004 104 R CA -2.437 53.800 56.100 0.229 0.000 0.882 104 R CB 2.374 32.888 30.300 0.356 0.000 1.164 104 R HN -0.364 8.023 8.270 0.194 0.000 0.489 105 F N 5.828 125.867 119.950 0.147 0.000 2.420 105 F HA 0.246 4.811 4.527 0.063 0.000 0.342 105 F C -2.853 173.061 175.800 0.190 0.000 1.113 105 F CA -1.831 56.239 58.000 0.116 0.000 1.059 105 F CB 2.939 41.984 39.000 0.074 0.000 1.128 105 F HN -0.356 8.157 8.300 0.355 0.000 0.475 106 F N 6.484 126.103 119.950 -0.552 0.000 2.404 106 F HA 0.003 4.570 4.527 0.068 0.000 0.345 106 F C -0.923 174.793 175.800 -0.140 0.000 1.110 106 F CA 0.658 58.540 58.000 -0.197 0.000 1.130 106 F CB 1.680 40.587 39.000 -0.155 0.000 1.129 106 F HN -0.047 7.847 8.300 -0.678 0.000 0.500 107 V N 4.399 124.425 119.914 0.188 0.000 3.307 107 V HA 0.051 4.486 4.120 0.526 0.000 0.244 107 V C -0.446 175.785 176.094 0.228 0.000 1.196 107 V CA 0.813 63.325 62.300 0.353 0.000 1.132 107 V CB 1.581 33.618 31.823 0.356 0.000 0.875 107 V HN 0.887 8.963 8.190 -0.034 0.094 0.468 108 E N -1.735 118.559 120.200 0.156 0.000 2.396 108 E HA 0.158 4.626 4.350 0.197 0.000 0.280 108 E C -1.549 175.174 176.600 0.206 0.000 1.065 108 E CA -0.594 55.909 56.400 0.172 0.000 0.831 108 E CB 3.282 33.056 29.700 0.123 0.000 1.272 108 E HN -0.046 8.269 8.360 0.056 0.079 0.443 109 G N 0.613 109.556 108.800 0.238 0.000 2.755 109 G HA2 -0.314 3.784 3.960 0.229 0.000 0.686 109 G HA3 -0.314 3.832 3.960 0.310 0.000 0.686 109 G C -2.256 172.912 174.900 0.447 0.000 1.427 109 G CA -0.173 45.102 45.100 0.291 0.000 0.873 109 G HN 0.013 8.423 8.290 0.200 0.000 0.580 110 A N -0.232 122.800 122.820 0.354 0.000 2.340 110 A HA 0.485 5.043 4.320 0.396 0.000 0.331 110 A C -1.392 176.359 177.584 0.278 0.000 1.140 110 A CA -0.622 51.608 52.037 0.321 0.000 0.801 110 A CB 2.318 21.405 19.000 0.145 0.000 1.234 110 A HN 0.078 8.383 8.150 0.260 0.000 0.469 111 G N -0.616 108.305 108.800 0.202 0.000 3.253 111 G HA2 0.542 4.521 3.960 0.031 0.000 0.175 111 G HA3 0.542 4.601 3.960 0.164 0.000 0.175 111 G C -2.243 172.635 174.900 -0.036 0.000 1.098 111 G CA -0.565 44.585 45.100 0.082 0.000 0.790 111 G HN 0.023 8.342 8.290 0.048 0.000 0.648 112 L N -1.581 119.535 121.223 -0.177 0.000 2.393 112 L HA 0.450 4.798 4.340 0.013 0.000 0.260 112 L C -1.923 174.639 176.870 -0.514 0.000 1.002 112 L CA -0.377 54.366 54.840 -0.161 0.000 0.818 112 L CB 4.085 46.096 42.059 -0.080 0.000 1.369 112 L HN 0.028 8.129 8.230 -0.214 0.000 0.412 113 F N 1.354 121.163 119.950 -0.236 0.000 2.546 113 F HA 0.345 4.571 4.527 -0.502 0.000 0.320 113 F C -1.309 174.324 175.800 -0.278 0.000 1.076 113 F CA -0.571 57.239 58.000 -0.318 0.000 0.928 113 F CB 4.119 42.992 39.000 -0.211 0.000 1.189 113 F HN -0.324 8.062 8.300 0.143 0.000 0.465 114 C N 2.853 122.014 119.300 -0.233 0.000 2.679 114 C HA 0.685 5.311 4.460 -0.124 -0.242 0.354 114 C C -2.104 172.665 174.990 -0.369 0.000 1.067 114 C CA -0.885 57.966 59.018 -0.278 0.000 1.317 114 C CB 2.301 29.804 27.740 -0.394 0.000 1.843 114 C HN 0.530 8.548 8.230 -0.353 0.000 0.459 115 L N 7.143 128.258 121.223 -0.179 0.000 2.316 115 L HA 0.401 4.608 4.340 -0.223 0.000 0.280 115 L C -2.257 174.529 176.870 -0.140 0.000 1.006 115 L CA -0.994 53.742 54.840 -0.173 0.000 0.836 115 L CB 2.194 44.186 42.059 -0.113 0.000 1.221 115 L HN 0.167 8.366 8.230 -0.050 0.000 0.418 116 H N 7.673 126.566 119.070 -0.294 0.000 2.581 116 H HA 0.277 4.982 4.556 0.008 -0.144 0.308 116 H C -1.336 173.940 175.328 -0.087 0.000 1.040 116 H CA -1.680 54.305 56.048 -0.105 0.000 1.231 116 H CB 1.257 31.010 29.762 -0.014 0.000 1.396 116 H HN -0.309 7.803 8.280 -0.281 0.000 0.467 117 I N 6.760 127.445 120.570 0.192 0.000 2.468 117 I HA 0.143 4.348 4.170 0.059 0.000 0.285 117 I C -1.464 174.720 176.117 0.111 0.000 1.039 117 I CA -0.682 60.661 61.300 0.072 0.000 1.074 117 I CB 1.829 39.778 38.000 -0.084 0.000 1.228 117 I HN -0.432 7.850 8.210 0.120 0.000 0.436 118 G N 6.451 115.305 108.800 0.090 0.000 2.528 118 G HA2 -0.252 3.726 3.960 0.030 0.000 0.262 118 G HA3 -0.252 3.739 3.960 0.052 0.000 0.262 118 G C -1.118 173.876 174.900 0.158 0.000 1.200 118 G CA 0.209 45.352 45.100 0.072 0.000 0.951 118 G HN 0.314 8.635 8.290 0.053 0.000 0.566 119 D N 3.054 123.540 120.400 0.143 0.000 2.540 119 D HA 0.044 4.891 4.640 0.344 0.000 0.251 119 D C -1.622 174.793 176.300 0.191 0.000 1.159 119 D CA -0.854 53.278 54.000 0.219 0.000 0.974 119 D CB -1.096 39.782 40.800 0.130 0.000 0.996 119 D HN 0.118 8.545 8.370 0.095 0.000 0.512 120 E N 0.059 120.363 120.200 0.172 0.000 2.422 120 E HA 0.132 4.502 4.350 0.035 0.000 0.280 120 E C -2.776 173.652 176.600 -0.286 0.000 1.091 120 E CA -0.644 55.765 56.400 0.015 0.000 0.849 120 E CB 3.011 32.770 29.700 0.098 0.000 1.353 120 E HN -0.614 7.922 8.360 0.293 0.000 0.449 121 V N -0.772 119.051 119.914 -0.152 0.000 2.914 121 V HA 0.284 4.195 4.120 -0.349 0.000 0.314 121 V C -1.558 174.591 176.094 0.091 0.000 1.084 121 V CA -2.011 60.178 62.300 -0.184 0.000 0.963 121 V CB 3.116 34.825 31.823 -0.190 0.000 1.025 121 V HN -0.193 7.979 8.190 -0.030 0.000 0.432 122 F N 3.419 123.240 119.950 -0.214 0.000 2.529 122 F HA 0.169 4.575 4.527 -0.202 0.000 0.320 122 F C -1.935 173.774 175.800 -0.153 0.000 1.118 122 F CA -0.823 57.061 58.000 -0.194 0.000 0.915 122 F CB 4.253 43.129 39.000 -0.207 0.000 1.161 122 F HN -0.242 8.103 8.300 0.074 0.000 0.445 123 Q N 3.915 123.643 119.800 -0.120 0.000 2.309 123 Q HA 0.598 5.192 4.340 0.010 -0.248 0.270 123 Q C -1.738 174.246 176.000 -0.027 0.000 1.023 123 Q CA -1.668 54.117 55.803 -0.030 0.000 0.758 123 Q CB 3.213 31.958 28.738 0.011 0.000 1.247 123 Q HN 0.668 8.748 8.270 -0.316 0.000 0.455 124 V N 3.322 123.256 119.914 0.034 0.000 2.483 124 V HA 0.096 4.166 4.120 -0.085 0.000 0.295 124 V C -1.685 174.431 176.094 0.035 0.000 1.035 124 V CA -1.252 61.013 62.300 -0.060 0.000 0.896 124 V CB 1.588 33.245 31.823 -0.277 0.000 0.986 124 V HN 0.465 8.731 8.190 0.127 0.000 0.447 125 L N 2.914 124.129 121.223 -0.014 0.000 2.454 125 L HA 0.509 4.913 4.340 0.107 0.000 0.258 125 L C -1.156 175.693 176.870 -0.035 0.000 1.025 125 L CA -0.307 54.552 54.840 0.032 0.000 0.901 125 L CB 0.259 42.350 42.059 0.054 0.000 1.210 125 L HN -0.257 7.942 8.230 -0.052 0.000 0.457 126 C N -0.264 118.978 119.300 -0.098 0.000 3.199 126 C HA 0.265 4.689 4.460 -0.060 0.000 0.392 126 C C -1.037 173.845 174.990 -0.180 0.000 1.050 126 C CA -1.357 57.592 59.018 -0.115 0.000 1.222 126 C CB 3.047 30.710 27.740 -0.127 0.000 1.595 126 C HN -0.015 8.144 8.230 -0.118 0.000 0.560 127 E N 4.528 124.661 120.200 -0.110 0.000 2.103 127 E HA 0.081 4.258 4.350 -0.288 0.000 0.254 127 E C -1.098 175.451 176.600 -0.086 0.000 0.940 127 E CA -1.004 55.326 56.400 -0.117 0.000 0.771 127 E CB -0.375 29.363 29.700 0.064 0.000 1.153 127 E HN 0.132 8.460 8.360 -0.052 0.000 0.428 128 K N 3.496 123.785 120.400 -0.185 0.000 2.221 128 K HA 0.150 4.406 4.320 -0.107 0.000 0.243 128 K C -0.734 175.691 176.600 -0.291 0.000 0.968 128 K CA -1.247 54.928 56.287 -0.188 0.000 0.846 128 K CB 1.907 34.281 32.500 -0.210 0.000 1.141 128 K HN -0.310 7.770 8.250 -0.283 0.000 0.434 129 N N -0.875 117.668 118.700 -0.263 0.000 2.651 129 N HA -0.277 4.321 4.740 -0.506 -0.161 0.193 129 N C -0.435 174.598 175.510 -0.796 0.000 1.149 129 N CA 0.881 53.681 53.050 -0.417 0.000 0.933 129 N CB 0.354 38.783 38.487 -0.097 0.000 0.974 129 N HN 0.178 8.463 8.380 -0.159 0.000 0.448 130 D N -2.923 117.082 120.400 -0.659 0.000 2.362 130 D HA 0.010 4.267 4.640 -0.837 -0.120 0.242 130 D C -0.414 175.358 176.300 -0.879 0.000 1.132 130 D CA -0.199 53.311 54.000 -0.817 0.000 0.907 130 D CB 0.324 40.604 40.800 -0.866 0.000 1.195 130 D HN -0.463 7.493 8.370 -0.489 0.121 0.429 131 L N -5.862 114.873 121.223 -0.815 0.000 2.309 131 L HA 0.628 4.749 4.340 -0.366 0.000 0.261 131 L C -1.720 174.954 176.870 -0.327 0.000 1.021 131 L CA -1.111 53.447 54.840 -0.470 0.000 0.823 131 L CB 4.014 45.903 42.059 -0.284 0.000 1.366 131 L HN -0.645 7.066 8.230 -0.866 0.000 0.423 132 I N -1.554 118.981 120.570 -0.059 0.000 2.498 132 I HA 0.376 4.736 4.170 0.033 -0.170 0.290 132 I C -0.737 175.458 176.117 0.129 0.000 1.032 132 I CA -0.806 60.524 61.300 0.051 0.000 1.073 132 I CB 3.222 41.275 38.000 0.090 0.000 1.251 132 I HN -0.495 7.757 8.210 0.069 0.000 0.426 133 S N 5.156 120.920 115.700 0.107 0.000 2.475 133 S HA 0.257 4.943 4.470 0.114 -0.148 0.298 133 S C -0.728 173.909 174.600 0.062 0.000 1.119 133 S CA -1.732 56.528 58.200 0.101 0.000 1.085 133 S CB 1.235 64.500 63.200 0.110 0.000 1.028 133 S HN 0.364 8.732 8.310 0.098 0.000 0.489 134 V N 6.341 126.271 119.914 0.026 0.000 2.427 134 V HA 0.412 4.517 4.120 -0.025 0.000 0.286 134 V C -1.582 174.488 176.094 -0.040 0.000 1.034 134 V CA -3.662 58.614 62.300 -0.040 0.000 0.893 134 V CB 0.596 32.333 31.823 -0.144 0.000 0.982 134 V HN -0.107 8.097 8.190 0.023 0.000 0.452 135 P HA 0.099 4.717 4.420 0.043 -0.172 0.272 135 P C -1.046 176.291 177.300 0.063 0.000 1.223 135 P CA -0.715 62.401 63.100 0.026 0.000 0.784 135 P CB 0.470 32.183 31.700 0.021 0.000 0.923 136 A N 0.804 123.692 122.820 0.113 0.000 2.440 136 A HA -0.273 4.356 4.320 0.237 -0.167 0.251 136 A C -0.254 177.486 177.584 0.260 0.000 1.089 136 A CA 0.152 52.306 52.037 0.195 0.000 0.779 136 A CB 0.544 19.659 19.000 0.190 0.000 1.022 136 A HN -0.043 8.349 8.150 0.101 -0.182 0.492 137 H N 0.539 119.686 119.070 0.128 0.000 3.282 137 H HA -0.406 4.228 4.556 0.130 0.000 0.202 137 H C -1.614 173.744 175.328 0.050 0.000 1.097 137 H CA 1.086 57.193 56.048 0.099 0.000 1.151 137 H CB -1.595 28.216 29.762 0.083 0.000 1.128 137 H HN 0.524 8.962 8.280 0.262 0.000 0.319 138 T N 3.156 117.742 114.554 0.053 0.000 2.767 138 T HA 0.358 4.704 4.350 -0.007 0.000 0.284 138 T C -1.651 172.997 174.700 -0.087 0.000 0.973 138 T CA -2.137 59.950 62.100 -0.022 0.000 0.996 138 T CB 1.349 70.196 68.868 -0.035 0.000 0.927 138 T HN -0.726 7.518 8.240 0.086 0.048 0.456 139 P HA 0.241 4.849 4.420 -0.031 -0.206 0.267 139 P C -1.429 175.762 177.300 -0.182 0.000 1.205 139 P CA -0.290 62.784 63.100 -0.044 0.000 0.765 139 P CB 0.417 32.122 31.700 0.009 0.000 0.828 140 H N -0.491 118.281 119.070 -0.497 0.000 2.950 140 H HA 0.206 3.417 4.556 -2.243 0.000 0.307 140 H C -2.396 172.584 175.328 -0.581 0.000 1.403 140 H CA -0.969 54.434 56.048 -1.074 0.000 1.145 140 H CB 2.703 32.107 29.762 -0.597 0.000 1.844 140 H HN -0.242 7.986 8.280 -0.087 0.000 0.515 141 W N -3.871 117.108 121.300 -0.536 0.000 4.144 141 W HA 0.356 4.848 4.660 -0.280 0.000 0.424 141 W C -2.497 173.867 176.519 -0.259 0.000 1.350 141 W CA -1.545 55.592 57.345 -0.347 0.000 0.963 141 W CB 1.919 31.326 29.460 -0.090 0.000 2.002 141 W HN -0.419 6.630 8.180 -1.884 0.000 0.639 142 F N -0.273 119.779 119.950 0.171 0.000 2.684 142 F HA 0.248 4.759 4.527 -0.026 0.000 0.329 142 F C -2.322 173.560 175.800 0.138 0.000 1.094 142 F CA 0.469 58.522 58.000 0.088 0.000 1.116 142 F CB 3.594 42.694 39.000 0.166 0.000 1.366 142 F HN -0.025 8.569 8.300 0.490 0.000 0.567 143 D N 2.550 123.075 120.400 0.208 0.000 2.964 143 D HA 0.253 5.001 4.640 0.180 0.000 0.234 143 D C -1.748 174.585 176.300 0.054 0.000 1.223 143 D CA -0.934 53.156 54.000 0.150 0.000 0.889 143 D CB 2.801 43.673 40.800 0.120 0.000 1.609 143 D HN 0.147 8.502 8.370 -0.025 0.000 0.523 144 M N 0.980 120.576 119.600 -0.007 0.000 2.484 144 M HA 0.155 4.555 4.480 -0.132 0.000 0.307 144 M C 1.078 177.325 176.300 -0.089 0.000 1.149 144 M CA -1.059 54.156 55.300 -0.141 0.000 0.972 144 M CB 0.784 33.140 32.600 -0.406 0.000 1.400 144 M HN 0.304 8.602 8.290 0.014 0.000 0.508 145 G N 0.770 109.557 108.800 -0.022 0.000 3.760 145 G HA2 -0.409 3.556 3.960 0.008 0.000 0.272 145 G HA3 -0.409 3.646 3.960 0.008 -0.091 0.272 145 G C -0.916 173.981 174.900 -0.004 0.000 0.944 145 G CA 1.548 46.647 45.100 -0.002 0.000 0.841 145 G HN -0.339 7.894 8.290 0.002 0.058 1.355 146 S N 5.082 120.782 115.700 0.001 0.000 2.439 146 S HA -0.029 4.458 4.470 0.028 0.000 0.282 146 S C -1.308 173.302 174.600 0.015 0.000 1.170 146 S CA -0.463 57.749 58.200 0.019 0.000 1.054 146 S CB 0.094 63.313 63.200 0.032 0.000 0.956 146 S HN -0.046 8.266 8.310 0.003 0.000 0.490 147 E N 5.530 125.760 120.200 0.051 0.000 2.145 147 E HA 0.467 4.867 4.350 0.083 0.000 0.262 147 E C -1.917 174.812 176.600 0.214 0.000 0.883 147 E CA -3.477 53.005 56.400 0.136 0.000 0.748 147 E CB 0.153 29.976 29.700 0.205 0.000 1.140 147 E HN -0.173 8.223 8.360 0.059 0.000 0.417 148 P HA 0.053 4.546 4.420 0.122 0.000 0.240 148 P C -1.533 175.858 177.300 0.152 0.000 1.854 148 P CA -1.339 61.855 63.100 0.157 0.000 1.081 148 P CB -0.593 31.181 31.700 0.123 0.000 1.646 149 N N -1.464 117.345 118.700 0.182 0.000 2.846 149 N HA -0.375 4.505 4.740 -0.159 -0.235 0.262 149 N C -2.068 173.435 175.510 -0.011 0.000 1.137 149 N CA -0.193 52.851 53.050 -0.010 0.000 0.666 149 N CB -0.561 37.916 38.487 -0.016 0.000 0.945 149 N HN -0.258 8.218 8.380 0.306 0.087 0.567 150 F N -3.882 116.057 119.950 -0.019 0.000 2.394 150 F HA 0.275 4.871 4.527 -0.006 -0.073 0.340 150 F C -1.616 174.117 175.800 -0.112 0.000 1.105 150 F CA -1.920 56.052 58.000 -0.048 0.000 1.124 150 F CB 0.802 39.767 39.000 -0.058 0.000 1.145 150 F HN -0.500 7.610 8.300 -0.317 0.000 0.505 151 T N 4.949 119.450 114.554 -0.089 0.000 2.743 151 T HA 0.175 4.397 4.350 -0.214 0.000 0.292 151 T C -1.412 173.197 174.700 -0.152 0.000 0.972 151 T CA 0.285 62.308 62.100 -0.129 0.000 0.967 151 T CB 0.609 69.466 68.868 -0.018 0.000 0.926 151 T HN 0.382 8.499 8.240 0.021 0.136 0.459 152 A N 6.567 129.295 122.820 -0.153 0.000 2.566 152 A HA 0.844 5.209 4.320 -0.105 -0.108 0.292 152 A C -2.436 175.154 177.584 0.009 0.000 1.112 152 A CA -1.905 50.041 52.037 -0.152 0.000 0.707 152 A CB 3.801 22.580 19.000 -0.367 0.000 1.302 152 A HN -0.049 8.008 8.150 -0.155 0.000 0.409 153 I N -0.715 119.930 120.570 0.124 0.000 2.354 153 I HA 0.193 4.416 4.170 0.088 0.000 0.292 153 I C -1.694 174.381 176.117 -0.070 0.000 0.989 153 I CA -0.353 61.023 61.300 0.125 0.000 1.188 153 I CB 2.118 40.331 38.000 0.356 0.000 1.342 153 I HN 0.521 8.850 8.210 0.200 0.000 0.457 154 R N 5.969 126.317 120.500 -0.254 0.000 2.854 154 R HA 0.533 4.666 4.340 -0.347 0.000 0.271 154 R C -2.015 173.896 176.300 -0.649 0.000 0.994 154 R CA -2.554 53.329 56.100 -0.361 0.000 0.945 154 R CB 4.531 34.709 30.300 -0.204 0.000 1.194 154 R HN 0.787 8.926 8.270 -0.219 0.000 0.476 155 I N -0.018 120.173 120.570 -0.633 0.000 2.498 155 I HA 0.243 3.857 4.170 -0.927 0.000 0.301 155 I C -1.139 174.979 176.117 0.003 0.000 0.984 155 I CA -2.827 58.067 61.300 -0.676 0.000 1.204 155 I CB 0.512 37.849 38.000 -1.105 0.000 1.362 155 I HN 0.309 8.217 8.210 -0.505 0.000 0.471 156 F N 4.676 124.509 119.950 -0.195 0.000 2.405 156 F HA 0.150 4.668 4.527 -0.015 0.000 0.355 156 F C -1.223 174.657 175.800 0.134 0.000 1.121 156 F CA -1.606 56.391 58.000 -0.005 0.000 1.112 156 F CB 0.533 39.551 39.000 0.031 0.000 1.126 156 F HN 0.376 8.663 8.300 0.146 0.100 0.481 157 D N 2.693 123.272 120.400 0.298 0.000 2.523 157 D HA 0.054 4.899 4.640 0.341 0.000 0.236 157 D C -0.992 175.502 176.300 0.324 0.000 1.094 157 D CA -1.571 52.641 54.000 0.355 0.000 0.942 157 D CB 1.881 42.945 40.800 0.440 0.000 1.447 157 D HN -0.121 8.368 8.370 0.199 0.000 0.479 158 N N -1.130 117.689 118.700 0.197 0.000 2.476 158 N HA 0.404 5.164 4.740 0.032 0.000 0.275 158 N C -1.033 174.223 175.510 -0.424 0.000 1.190 158 N CA -2.249 50.795 53.050 -0.011 0.000 0.977 158 N CB -0.382 38.077 38.487 -0.047 0.000 1.200 158 N HN -0.047 8.446 8.380 0.188 0.000 0.515 159 P HA -0.169 1.366 4.420 -4.808 0.000 0.213 159 P C 1.226 177.784 177.300 -1.236 0.000 1.170 159 P CA 2.364 64.248 63.100 -2.026 0.000 0.889 159 P CB 0.352 31.438 31.700 -1.023 0.000 0.782 160 E N -2.260 117.573 120.200 -0.612 0.000 2.401 160 E HA -0.330 3.814 4.350 -0.342 0.000 0.204 160 E C 1.824 178.265 176.600 -0.266 0.000 1.036 160 E CA 2.107 58.294 56.400 -0.355 0.000 0.856 160 E CB -1.212 28.367 29.700 -0.203 0.000 0.770 160 E HN 0.448 8.511 8.360 -0.496 0.000 0.527 161 G N -2.161 106.476 108.800 -0.272 0.000 2.430 161 G HA2 -0.105 3.862 3.960 0.012 0.000 0.216 161 G HA3 -0.105 3.905 3.960 0.083 0.000 0.216 161 G C -1.445 173.520 174.900 0.108 0.000 1.146 161 G CA 0.138 45.229 45.100 -0.014 0.000 0.793 161 G HN -0.392 7.416 8.290 -0.433 0.223 0.537 162 W N -1.994 119.347 121.300 0.069 0.000 2.719 162 W HA 0.599 5.360 4.660 0.068 -0.060 0.352 162 W C -2.337 174.178 176.519 -0.006 0.000 1.085 162 W CA -2.199 55.172 57.345 0.043 0.000 1.187 162 W CB 2.056 31.530 29.460 0.023 0.000 1.417 162 W HN -0.094 7.621 8.180 -0.558 0.131 0.557 163 I N 0.422 121.181 120.570 0.315 0.000 2.498 163 I HA 0.219 4.412 4.170 0.039 0.000 0.301 163 I C 1.122 177.431 176.117 0.320 0.000 0.984 163 I CA -2.868 58.535 61.300 0.172 0.000 1.204 163 I CB 0.823 38.851 38.000 0.048 0.000 1.362 163 I HN -0.012 8.393 8.210 0.324 0.000 0.471 164 A N 5.984 128.924 122.820 0.200 0.000 1.829 164 A HA -0.271 4.216 4.320 0.279 0.000 0.216 164 A C 0.305 177.982 177.584 0.155 0.000 1.207 164 A CA 3.136 55.289 52.037 0.195 0.000 0.622 164 A CB -0.028 19.031 19.000 0.100 0.000 0.846 164 A HN 0.486 8.692 8.150 0.094 0.000 0.447 165 Q N -5.674 114.180 119.800 0.089 0.000 2.553 165 Q HA 0.100 4.525 4.340 0.142 0.000 0.293 165 Q C -0.630 175.414 176.000 0.072 0.000 1.038 165 Q CA -0.248 55.614 55.803 0.099 0.000 0.777 165 Q CB 2.227 31.008 28.738 0.072 0.000 1.487 165 Q HN -0.530 7.768 8.270 0.047 0.000 0.426 166 F N 1.428 121.381 119.950 0.005 0.000 2.453 166 F HA 0.223 4.746 4.527 -0.006 0.000 0.284 166 F C 1.094 176.890 175.800 -0.008 0.000 1.065 166 F CA 1.461 59.455 58.000 -0.010 0.000 1.411 166 F CB 1.779 40.758 39.000 -0.034 0.000 1.131 166 F HN 0.774 9.223 8.300 0.247 0.000 0.582 167 T N -2.211 112.500 114.554 0.262 0.000 3.018 167 T HA 0.048 4.507 4.350 0.181 0.000 0.246 167 T C 0.481 175.224 174.700 0.072 0.000 1.026 167 T CA 0.879 63.072 62.100 0.155 0.000 1.081 167 T CB 1.360 70.289 68.868 0.102 0.000 0.970 167 T HN -0.073 8.303 8.240 0.226 0.000 0.475 168 G N 0.578 109.411 108.800 0.055 0.000 2.195 168 G HA2 -0.354 3.619 3.960 0.020 0.000 0.224 168 G HA3 -0.354 3.616 3.960 0.016 0.000 0.224 168 G C -0.728 174.171 174.900 -0.001 0.000 0.990 168 G CA -0.128 44.985 45.100 0.021 0.000 0.639 168 G HN 0.071 8.405 8.290 0.074 0.000 0.514 169 D N 1.151 121.547 120.400 -0.007 0.000 2.304 169 D HA 0.063 4.681 4.640 -0.037 0.000 0.247 169 D C -0.613 175.638 176.300 -0.081 0.000 1.089 169 D CA -0.133 53.843 54.000 -0.039 0.000 0.910 169 D CB 1.108 41.886 40.800 -0.036 0.000 1.199 169 D HN -0.255 8.061 8.370 0.009 0.060 0.426 170 D N -1.152 119.184 120.400 -0.108 0.000 2.493 170 D HA 0.045 4.565 4.640 -0.201 0.000 0.235 170 D C -0.748 175.402 176.300 -0.251 0.000 1.117 170 D CA -1.144 52.749 54.000 -0.177 0.000 0.930 170 D CB -1.137 39.583 40.800 -0.134 0.000 1.010 170 D HN -0.025 8.291 8.370 -0.090 0.000 0.514 171 I N 0.906 121.267 120.570 -0.348 0.000 2.617 171 I HA -0.206 3.842 4.170 -0.203 0.000 0.256 171 I C 0.737 176.567 176.117 -0.478 0.000 1.167 171 I CA 1.651 62.758 61.300 -0.322 0.000 1.469 171 I CB 0.470 38.343 38.000 -0.212 0.000 1.098 171 I HN -0.776 7.408 8.210 -0.365 -0.194 0.436 172 A N 1.477 123.741 122.820 -0.926 0.000 1.908 172 A HA -0.355 3.273 4.320 -1.152 0.000 0.218 172 A C 1.340 178.719 177.584 -0.342 0.000 1.181 172 A CA 3.156 54.572 52.037 -1.035 0.000 0.627 172 A CB -1.092 17.162 19.000 -1.244 0.000 0.818 172 A HN 0.501 8.018 8.150 -1.012 0.025 0.445 173 S N -2.912 112.621 115.700 -0.278 0.000 2.559 173 S HA -0.262 4.140 4.470 -0.113 0.000 0.250 173 S C 0.702 175.177 174.600 -0.208 0.000 0.977 173 S CA 1.704 59.802 58.200 -0.169 0.000 0.958 173 S CB -0.770 62.345 63.200 -0.142 0.000 0.751 173 S HN -0.015 8.103 8.310 -0.317 0.001 0.534 174 A N 0.403 123.045 122.820 -0.296 0.000 1.930 174 A HA -0.053 4.003 4.320 -0.441 0.000 0.215 174 A C 0.814 177.942 177.584 -0.760 0.000 1.176 174 A CA 1.863 53.559 52.037 -0.569 0.000 0.632 174 A CB 0.690 19.220 19.000 -0.783 0.000 0.819 174 A HN -0.150 7.583 8.150 -0.270 0.255 0.445 175 Y N -5.432 114.832 120.300 -0.059 0.000 2.681 175 Y HA 0.300 4.821 4.550 -0.048 0.000 0.267 175 Y C -1.626 174.275 175.900 0.001 0.000 1.166 175 Y CA -1.940 56.148 58.100 -0.020 0.000 1.209 175 Y CB -0.828 37.655 38.460 0.038 0.000 1.161 175 Y HN -0.634 7.657 8.280 0.019 0.000 0.534 176 P HA -0.162 4.442 4.420 0.095 -0.127 0.223 176 P C -0.980 176.345 177.300 0.041 0.000 1.151 176 P CA 0.815 63.948 63.100 0.055 0.000 0.787 176 P CB 0.212 31.917 31.700 0.008 0.000 0.788 177 R N -1.999 118.515 120.500 0.024 0.000 2.265 177 R HA 0.086 4.435 4.340 0.015 0.000 0.314 177 R C -0.936 175.386 176.300 0.036 0.000 1.053 177 R CA -0.764 55.347 56.100 0.018 0.000 0.931 177 R CB 0.336 30.634 30.300 -0.004 0.000 1.024 177 R HN -0.145 8.082 8.270 0.008 0.047 0.457 178 L N 3.200 124.441 121.223 0.030 0.000 2.375 178 L HA 0.004 4.374 4.340 0.049 0.000 0.271 178 L C 0.862 177.753 176.870 0.035 0.000 1.107 178 L CA -0.571 54.290 54.840 0.036 0.000 0.806 178 L CB 0.696 42.768 42.059 0.022 0.000 1.146 178 L HN 0.268 8.511 8.230 0.022 0.000 0.447 179 A N 0.000 122.846 122.820 0.044 0.000 2.254 179 A HA 0.000 4.348 4.320 0.046 0.000 0.244 179 A CA 0.000 52.061 52.037 0.040 0.000 0.836 179 A CB 0.000 19.023 19.000 0.039 0.000 0.831 179 A HN 0.000 8.182 8.150 0.053 0.000 0.486