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 3ps2_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIKQRTLKRI VQATGVGLHT GKKVTLTLRP APANTGVIYR RTDLNPPVDF DATA SEQUENCE PADAKSVRDT MLCTCLVNEH DVRISTVEHL NAALAGLGID NIVIEVNAPE DATA SEQUENCE IPIMDGSAAP FVYLLLDAGI DELNCAKKFV RIKETVRVED GDKWAEFKPY DATA SEQUENCE NGFSLDFTID FNHPAIDSSN QRYAMNFSAD AFMRQISRAR TFGFMRDIEY DATA SEQUENCE LQSRGLCLGG SFDCAIVVDD YRVLNEDGLR FEDEFVRHKM LDAIGDLFMC DATA SEQUENCE GHNIIGAFTA YKSGHALNNK LLQAVLAKQE AWEYVTFQDD AELPLAFKAP 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 M HA 0.000 4.551 4.480 0.118 0.000 0.227 1 M C 0.000 176.371 176.300 0.118 0.000 1.140 1 M CA 0.000 55.360 55.300 0.099 0.000 0.988 1 M CB 0.000 32.647 32.600 0.078 0.000 1.302 2 I N 5.251 125.926 120.570 0.175 0.000 2.436 2 I HA 0.054 4.319 4.170 0.157 0.000 0.289 2 I C -1.120 175.106 176.117 0.183 0.000 1.083 2 I CA -1.305 60.115 61.300 0.201 0.000 1.372 2 I CB -0.828 37.358 38.000 0.310 0.000 1.408 2 I HN 0.502 8.840 8.210 0.214 0.000 0.516 3 K N 7.042 127.519 120.400 0.127 0.000 2.123 3 K HA 0.502 5.021 4.320 0.083 -0.149 0.248 3 K C -0.334 176.305 176.600 0.066 0.000 0.969 3 K CA -1.361 54.977 56.287 0.085 0.000 0.882 3 K CB 1.681 34.217 32.500 0.059 0.000 1.080 3 K HN 0.181 8.501 8.250 0.116 0.000 0.441 4 Q N -0.392 119.426 119.800 0.031 0.000 2.454 4 Q HA -0.045 4.476 4.340 -0.013 -0.189 0.247 4 Q C 0.220 176.223 176.000 0.005 0.000 1.028 4 Q CA 0.837 56.640 55.803 -0.001 0.000 0.910 4 Q CB 1.122 29.846 28.738 -0.023 0.000 1.276 4 Q HN -0.256 8.030 8.270 0.028 0.000 0.489 5 R N -1.475 119.022 120.500 -0.004 0.000 2.807 5 R HA 0.637 5.117 4.340 0.008 -0.135 0.276 5 R C -0.659 175.636 176.300 -0.008 0.000 0.979 5 R CA -1.144 54.958 56.100 0.003 0.000 0.928 5 R CB 4.312 34.621 30.300 0.015 0.000 1.191 5 R HN -0.085 8.397 8.270 -0.016 -0.222 0.471 6 T N -0.350 114.201 114.554 -0.005 0.000 2.669 6 T HA 0.505 4.972 4.350 -0.016 -0.127 0.283 6 T C -1.593 173.106 174.700 -0.003 0.000 1.019 6 T CA -2.960 59.134 62.100 -0.011 0.000 1.039 6 T CB 2.286 71.144 68.868 -0.017 0.000 1.374 6 T HN 0.027 8.267 8.240 0.001 0.000 0.523 7 L N -0.146 121.074 121.223 -0.005 0.000 2.399 7 L HA 0.456 5.007 4.340 0.009 -0.206 0.266 7 L C 0.223 177.096 176.870 0.006 0.000 1.114 7 L CA -0.373 54.469 54.840 0.004 0.000 0.804 7 L CB 0.628 42.689 42.059 0.002 0.000 1.146 7 L HN 0.410 8.633 8.230 -0.011 0.000 0.451 8 K N 1.139 121.546 120.400 0.012 0.000 2.137 8 K HA -0.111 4.215 4.320 0.010 0.000 0.202 8 K C 0.538 177.145 176.600 0.012 0.000 1.052 8 K CA 1.818 58.113 56.287 0.013 0.000 0.961 8 K CB 0.848 33.358 32.500 0.017 0.000 0.741 8 K HN -0.006 8.254 8.250 0.016 0.000 0.452 9 R N -3.118 117.391 120.500 0.015 0.000 2.836 9 R HA 0.185 4.533 4.340 0.012 0.000 0.269 9 R C -1.533 174.776 176.300 0.015 0.000 1.010 9 R CA -1.581 54.528 56.100 0.015 0.000 0.930 9 R CB 3.352 33.663 30.300 0.019 0.000 1.218 9 R HN -0.626 7.655 8.270 0.017 0.000 0.473 10 I N 1.469 122.048 120.570 0.014 0.000 2.496 10 I HA 0.052 4.423 4.170 0.013 -0.193 0.285 10 I C 0.416 176.547 176.117 0.024 0.000 1.080 10 I CA 0.346 61.655 61.300 0.015 0.000 1.404 10 I CB 0.548 38.556 38.000 0.012 0.000 1.403 10 I HN 0.206 8.423 8.210 0.013 0.000 0.539 11 V N 2.616 122.548 119.914 0.031 0.000 3.102 11 V HA 0.645 4.788 4.120 0.038 0.000 0.312 11 V C -2.415 173.708 176.094 0.048 0.000 1.135 11 V CA -2.344 59.981 62.300 0.042 0.000 1.022 11 V CB 3.561 35.417 31.823 0.055 0.000 1.056 11 V HN 0.176 8.383 8.190 0.029 0.000 0.436 12 Q N -0.376 119.456 119.800 0.054 0.000 2.377 12 Q HA 0.875 5.398 4.340 0.068 -0.142 0.279 12 Q C -1.902 174.139 176.000 0.068 0.000 1.049 12 Q CA -1.201 54.638 55.803 0.060 0.000 0.825 12 Q CB 3.994 32.760 28.738 0.046 0.000 1.401 12 Q HN 0.101 8.402 8.270 0.052 0.000 0.404 13 A N 1.842 124.712 122.820 0.084 0.000 2.532 13 A HA 0.508 4.866 4.320 0.063 0.000 0.290 13 A C -2.717 174.913 177.584 0.076 0.000 1.143 13 A CA -0.559 51.527 52.037 0.081 0.000 0.728 13 A CB 3.315 22.381 19.000 0.109 0.000 1.317 13 A HN 0.612 8.817 8.150 0.093 0.000 0.414 14 T N -0.441 114.149 114.554 0.059 0.000 2.907 14 T HA 0.958 5.530 4.350 0.062 -0.185 0.292 14 T C -0.001 174.727 174.700 0.047 0.000 1.043 14 T CA -2.258 59.873 62.100 0.052 0.000 1.003 14 T CB 1.952 70.841 68.868 0.035 0.000 1.084 14 T HN 0.062 8.331 8.240 0.048 0.000 0.483 15 G N 3.674 112.505 108.800 0.050 0.000 2.548 15 G HA2 0.271 4.247 3.960 0.026 0.000 0.301 15 G HA3 0.271 4.261 3.960 0.050 0.000 0.301 15 G C -3.359 171.566 174.900 0.042 0.000 1.349 15 G CA 0.234 45.359 45.100 0.042 0.000 0.792 15 G HN -0.124 8.198 8.290 0.054 0.000 0.481 16 V N -0.402 119.532 119.914 0.035 0.000 2.539 16 V HA 0.455 4.793 4.120 0.031 -0.199 0.292 16 V C -0.031 176.089 176.094 0.044 0.000 1.045 16 V CA -1.466 60.852 62.300 0.031 0.000 0.945 16 V CB 2.382 34.213 31.823 0.014 0.000 0.993 16 V HN 0.150 8.357 8.190 0.029 0.000 0.464 17 G N 3.526 112.354 108.800 0.047 0.000 2.370 17 G HA2 0.207 4.212 3.960 0.076 0.000 0.272 17 G HA3 0.207 4.370 3.960 0.071 -0.161 0.272 17 G C -0.494 174.432 174.900 0.043 0.000 1.208 17 G CA -0.700 44.438 45.100 0.063 0.000 0.856 17 G HN -0.036 8.279 8.290 0.041 0.000 0.500 18 L N 6.792 128.031 121.223 0.028 0.000 2.042 18 L HA -0.291 4.014 4.340 -0.059 0.000 0.210 18 L C 1.177 177.978 176.870 -0.115 0.000 1.076 18 L CA 2.871 57.670 54.840 -0.068 0.000 0.749 18 L CB 0.149 42.124 42.059 -0.139 0.000 0.893 18 L HN 0.539 8.829 8.230 0.051 -0.029 0.432 19 H N -2.540 116.517 119.070 -0.021 0.000 2.294 19 H HA -0.108 4.432 4.556 -0.027 0.000 0.306 19 H C 2.291 177.605 175.328 -0.024 0.000 1.065 19 H CA 4.764 60.797 56.048 -0.026 0.000 1.343 19 H CB 0.178 29.922 29.762 -0.031 0.000 1.396 19 H HN -0.294 8.521 8.280 0.166 -0.435 0.506 20 T N -3.279 111.346 114.554 0.119 0.000 3.014 20 T HA -0.077 4.304 4.350 0.052 0.000 0.263 20 T C 1.502 176.217 174.700 0.026 0.000 1.078 20 T CA 1.474 63.608 62.100 0.057 0.000 1.135 20 T CB 0.568 69.462 68.868 0.043 0.000 0.895 20 T HN -0.353 8.249 8.240 0.133 -0.282 0.480 21 G N 1.439 110.251 108.800 0.020 0.000 2.148 21 G HA2 -0.457 3.561 3.960 -0.001 0.000 0.254 21 G HA3 -0.457 3.500 3.960 -0.004 0.000 0.254 21 G C -0.698 174.208 174.900 0.009 0.000 0.981 21 G CA 0.351 45.453 45.100 0.004 0.000 0.670 21 G HN -0.225 8.082 8.290 0.028 0.000 0.528 22 K N 0.389 120.800 120.400 0.018 0.000 2.095 22 K HA 0.220 4.548 4.320 0.012 0.000 0.252 22 K C -0.243 176.370 176.600 0.022 0.000 0.977 22 K CA -1.804 54.493 56.287 0.017 0.000 0.900 22 K CB 1.467 33.978 32.500 0.018 0.000 1.060 22 K HN -0.554 7.669 8.250 0.025 0.043 0.449 23 K N 1.698 122.110 120.400 0.020 0.000 2.451 23 K HA 0.002 4.497 4.320 0.026 -0.159 0.280 23 K C -0.003 176.616 176.600 0.031 0.000 1.020 23 K CA 0.883 57.185 56.287 0.024 0.000 1.008 23 K CB 0.342 32.854 32.500 0.020 0.000 0.917 23 K HN 0.208 8.467 8.250 0.016 0.000 0.478 24 V N 7.568 127.507 119.914 0.041 0.000 2.531 24 V HA 0.196 4.342 4.120 0.043 0.000 0.301 24 V C -1.291 174.837 176.094 0.056 0.000 1.034 24 V CA -1.378 60.952 62.300 0.049 0.000 0.865 24 V CB 3.364 35.223 31.823 0.060 0.000 0.995 24 V HN 0.865 9.082 8.190 0.044 0.000 0.424 25 T N 8.872 123.457 114.554 0.052 0.000 2.744 25 T HA 0.299 4.815 4.350 0.058 -0.132 0.291 25 T C -1.488 173.251 174.700 0.065 0.000 0.957 25 T CA 0.882 63.015 62.100 0.054 0.000 1.002 25 T CB 0.717 69.610 68.868 0.042 0.000 0.919 25 T HN 0.280 8.856 8.240 0.046 -0.308 0.468 26 L N 9.453 130.725 121.223 0.081 0.000 2.295 26 L HA 0.781 5.343 4.340 0.082 -0.173 0.285 26 L C -1.776 175.137 176.870 0.073 0.000 1.035 26 L CA -1.526 53.369 54.840 0.091 0.000 0.806 26 L CB 3.080 45.224 42.059 0.141 0.000 1.214 26 L HN 0.735 9.017 8.230 0.086 0.000 0.426 27 T N 9.241 123.826 114.554 0.053 0.000 2.881 27 T HA 0.473 5.014 4.350 0.044 -0.165 0.291 27 T C -1.312 173.399 174.700 0.018 0.000 0.990 27 T CA -0.170 61.953 62.100 0.038 0.000 0.976 27 T CB 1.809 70.695 68.868 0.029 0.000 0.970 27 T HN 0.563 8.832 8.240 0.049 0.000 0.438 28 L N 6.354 127.587 121.223 0.017 0.000 2.309 28 L HA 0.631 5.098 4.340 -0.032 -0.146 0.282 28 L C -0.796 176.069 176.870 -0.009 0.000 1.036 28 L CA -1.055 53.780 54.840 -0.008 0.000 0.806 28 L CB 1.258 43.320 42.059 0.005 0.000 1.220 28 L HN 0.520 8.768 8.230 0.031 0.000 0.429 29 R N 1.231 121.715 120.500 -0.027 0.000 2.686 29 R HA 0.544 4.878 4.340 -0.010 0.000 0.286 29 R C -2.618 173.666 176.300 -0.027 0.000 0.969 29 R CA -3.184 52.903 56.100 -0.021 0.000 0.898 29 R CB 1.982 32.269 30.300 -0.022 0.000 1.183 29 R HN 0.371 8.614 8.270 -0.045 0.000 0.456 30 P HA 0.129 4.537 4.420 -0.021 0.000 0.269 30 P C -1.069 176.215 177.300 -0.027 0.000 1.215 30 P CA -0.351 62.737 63.100 -0.019 0.000 0.780 30 P CB 0.543 32.237 31.700 -0.010 0.000 0.898 31 A N 1.848 124.649 122.820 -0.031 0.000 2.587 31 A HA 0.345 4.646 4.320 -0.031 0.000 0.293 31 A C -3.156 174.409 177.584 -0.033 0.000 1.087 31 A CA -2.301 49.715 52.037 -0.036 0.000 0.692 31 A CB 1.315 20.286 19.000 -0.050 0.000 1.291 31 A HN -0.037 8.096 8.150 -0.029 0.000 0.407 32 P HA 0.102 4.508 4.420 -0.024 0.000 0.274 32 P C -1.017 176.262 177.300 -0.036 0.000 1.256 32 P CA -0.684 62.399 63.100 -0.029 0.000 0.795 32 P CB 1.022 32.706 31.700 -0.026 0.000 1.038 33 A N 0.158 122.959 122.820 -0.031 0.000 2.498 33 A HA -0.289 4.007 4.320 -0.041 0.000 0.239 33 A C 0.454 178.011 177.584 -0.045 0.000 1.068 33 A CA 1.266 53.281 52.037 -0.037 0.000 0.766 33 A CB -0.048 18.936 19.000 -0.028 0.000 1.003 33 A HN 0.151 8.285 8.150 -0.026 0.000 0.497 34 N N -2.036 116.630 118.700 -0.057 0.000 2.955 34 N HA -0.387 4.310 4.740 -0.071 0.000 0.230 34 N C 0.179 175.647 175.510 -0.070 0.000 0.891 34 N CA 2.839 55.851 53.050 -0.064 0.000 1.002 34 N CB -1.188 37.269 38.487 -0.051 0.000 1.063 34 N HN 0.437 9.114 8.380 -0.062 -0.335 0.601 35 T N -4.259 110.254 114.554 -0.068 0.000 2.995 35 T HA -0.164 4.150 4.350 -0.060 0.000 0.269 35 T C 0.535 175.180 174.700 -0.092 0.000 1.091 35 T CA 1.497 63.556 62.100 -0.068 0.000 1.128 35 T CB 0.484 69.318 68.868 -0.057 0.000 0.891 35 T HN -0.653 7.467 8.240 -0.063 0.082 0.492 36 G N 0.561 109.290 108.800 -0.118 0.000 2.598 36 G HA2 -0.324 3.766 3.960 -0.199 0.000 0.244 36 G HA3 -0.324 3.524 3.960 -0.187 0.000 0.244 36 G C -1.936 172.872 174.900 -0.152 0.000 1.302 36 G CA -0.477 44.522 45.100 -0.169 0.000 0.903 36 G HN -0.509 7.949 8.290 -0.112 -0.234 0.575 37 V N 1.467 121.273 119.914 -0.181 0.000 2.432 37 V HA 0.248 4.400 4.120 -0.181 -0.141 0.275 37 V C -0.726 175.286 176.094 -0.135 0.000 1.043 37 V CA -0.120 62.075 62.300 -0.175 0.000 0.925 37 V CB 0.695 32.413 31.823 -0.176 0.000 0.985 37 V HN 0.163 8.222 8.190 -0.219 0.000 0.466 38 I N 6.264 126.726 120.570 -0.180 0.000 2.447 38 I HA 0.311 4.491 4.170 0.015 0.000 0.287 38 I C -1.615 174.406 176.117 -0.161 0.000 1.023 38 I CA -2.641 58.610 61.300 -0.082 0.000 1.083 38 I CB 2.079 40.049 38.000 -0.050 0.000 1.245 38 I HN 0.270 8.339 8.210 -0.234 0.000 0.434 39 Y N 6.890 127.226 120.300 0.061 0.000 2.323 39 Y HA 0.466 5.209 4.550 0.034 -0.173 0.331 39 Y C -1.256 174.762 175.900 0.197 0.000 1.092 39 Y CA -0.847 57.298 58.100 0.075 0.000 1.150 39 Y CB 2.357 40.821 38.460 0.007 0.000 1.200 39 Y HN 0.177 8.679 8.280 0.370 0.000 0.472 40 R N 2.063 122.724 120.500 0.269 0.000 2.575 40 R HA 0.884 5.626 4.340 0.330 -0.203 0.293 40 R C -1.689 174.739 176.300 0.214 0.000 0.983 40 R CA -1.861 54.386 56.100 0.244 0.000 0.887 40 R CB 4.393 34.760 30.300 0.111 0.000 1.184 40 R HN 0.865 9.256 8.270 0.203 0.000 0.445 41 R N 5.960 126.618 120.500 0.264 0.000 2.312 41 R HA 0.644 5.235 4.340 0.132 -0.172 0.311 41 R C 0.255 176.623 176.300 0.113 0.000 1.004 41 R CA -0.665 55.541 56.100 0.177 0.000 0.902 41 R CB 1.410 31.843 30.300 0.222 0.000 1.073 41 R HN 0.179 8.663 8.270 0.356 0.000 0.457 42 T N 0.830 115.430 114.554 0.077 0.000 3.044 42 T HA 0.320 4.700 4.350 0.050 0.000 0.260 42 T C 0.261 174.986 174.700 0.042 0.000 1.019 42 T CA -0.341 61.791 62.100 0.053 0.000 0.921 42 T CB 0.519 69.412 68.868 0.043 0.000 1.053 42 T HN 0.356 8.640 8.240 0.073 0.000 0.533 43 D N 1.519 121.946 120.400 0.046 0.000 2.149 43 D HA -0.221 4.437 4.640 0.029 0.000 0.201 43 D C -0.129 176.191 176.300 0.032 0.000 0.972 43 D CA 1.914 55.934 54.000 0.034 0.000 0.835 43 D CB -1.090 39.728 40.800 0.031 0.000 0.966 43 D HN -0.101 8.301 8.370 0.054 0.000 0.476 44 L N 0.301 121.550 121.223 0.043 0.000 2.439 44 L HA 0.021 4.378 4.340 0.027 0.000 0.269 44 L C -0.810 176.076 176.870 0.025 0.000 1.179 44 L CA 0.291 55.152 54.840 0.036 0.000 0.828 44 L CB 0.603 42.693 42.059 0.051 0.000 1.106 44 L HN -0.501 7.762 8.230 0.056 0.000 0.467 45 N N 0.978 119.686 118.700 0.014 0.000 2.491 45 N HA 0.280 5.026 4.740 0.010 0.000 0.274 45 N C -1.798 173.712 175.510 0.000 0.000 1.023 45 N CA -2.436 50.619 53.050 0.008 0.000 0.902 45 N CB 1.438 39.929 38.487 0.006 0.000 1.267 45 N HN 0.097 8.483 8.380 0.011 0.000 0.503 46 P HA 0.512 4.934 4.420 0.002 0.000 0.274 46 P C -2.867 174.436 177.300 0.006 0.000 1.256 46 P CA -1.089 62.011 63.100 0.000 0.000 0.795 46 P CB -0.632 31.065 31.700 -0.006 0.000 1.038 47 P HA 0.055 4.731 4.420 0.037 -0.234 0.269 47 P C -1.424 175.876 177.300 0.000 0.000 1.215 47 P CA -0.224 62.889 63.100 0.021 0.000 0.780 47 P CB 1.116 32.830 31.700 0.022 0.000 0.898 48 V N 2.048 121.970 119.914 0.013 0.000 2.555 48 V HA 0.111 4.152 4.120 -0.132 0.000 0.302 48 V C -1.236 174.782 176.094 -0.128 0.000 1.038 48 V CA -1.062 61.177 62.300 -0.103 0.000 0.887 48 V CB 2.723 34.457 31.823 -0.148 0.000 0.991 48 V HN -0.137 8.093 8.190 0.067 0.000 0.434 49 D N 4.671 124.916 120.400 -0.258 0.000 2.185 49 D HA 0.374 5.164 4.640 0.027 -0.133 0.247 49 D C -1.055 175.014 176.300 -0.384 0.000 1.027 49 D CA -0.975 52.933 54.000 -0.153 0.000 0.861 49 D CB 2.461 43.213 40.800 -0.080 0.000 1.202 49 D HN 0.190 8.393 8.370 -0.279 0.000 0.453 50 F N 1.340 121.314 119.950 0.041 0.000 2.676 50 F HA 0.389 4.925 4.527 0.013 0.000 0.371 50 F C -2.751 173.085 175.800 0.060 0.000 1.141 50 F CA -2.377 55.647 58.000 0.040 0.000 1.133 50 F CB 1.908 40.934 39.000 0.043 0.000 1.376 50 F HN 0.510 9.007 8.300 0.328 0.000 0.491 51 P HA -0.069 4.392 4.420 0.067 0.000 0.267 51 P C -1.169 176.187 177.300 0.093 0.000 1.209 51 P CA -0.653 62.493 63.100 0.077 0.000 0.763 51 P CB 0.044 31.750 31.700 0.010 0.000 0.816 52 A N 4.223 127.096 122.820 0.089 0.000 2.537 52 A HA -0.232 4.135 4.320 0.078 0.000 0.260 52 A C -1.190 176.371 177.584 -0.038 0.000 1.082 52 A CA 1.378 53.443 52.037 0.047 0.000 0.765 52 A CB 0.374 19.388 19.000 0.024 0.000 1.019 52 A HN -0.184 8.016 8.150 0.084 0.000 0.507 53 D N 2.414 122.796 120.400 -0.030 0.000 2.977 53 D HA 0.022 4.679 4.640 -0.064 -0.055 0.220 53 D C -0.245 176.032 176.300 -0.038 0.000 1.267 53 D CA -0.727 53.248 54.000 -0.041 0.000 0.884 53 D CB 3.123 43.912 40.800 -0.018 0.000 1.667 53 D HN -0.463 7.897 8.370 -0.016 0.000 0.536 54 A N 5.375 128.166 122.820 -0.048 0.000 1.986 54 A HA -0.249 4.052 4.320 -0.031 0.000 0.220 54 A C 1.663 179.238 177.584 -0.015 0.000 1.171 54 A CA 2.770 54.787 52.037 -0.033 0.000 0.640 54 A CB 0.107 19.082 19.000 -0.042 0.000 0.811 54 A HN 0.650 8.764 8.150 -0.061 0.000 0.451 55 K N -3.399 116.994 120.400 -0.012 0.000 2.296 55 K HA -0.194 4.127 4.320 0.002 0.000 0.200 55 K C 1.418 178.018 176.600 0.001 0.000 1.048 55 K CA 2.464 58.750 56.287 -0.002 0.000 0.966 55 K CB 0.176 32.675 32.500 -0.000 0.000 0.754 55 K HN -0.342 8.157 8.250 -0.016 -0.258 0.466 56 S N -1.326 114.374 115.700 -0.000 0.000 2.575 56 S HA 0.004 4.483 4.470 0.015 0.000 0.215 56 S C -1.098 173.499 174.600 -0.006 0.000 0.966 56 S CA 0.006 58.213 58.200 0.011 0.000 0.911 56 S CB 0.468 63.689 63.200 0.035 0.000 0.780 56 S HN -0.541 7.624 8.310 -0.004 0.142 0.514 57 V N 2.869 122.771 119.914 -0.020 0.000 2.583 57 V HA -0.067 4.161 4.120 -0.067 -0.148 0.287 57 V C -0.369 175.707 176.094 -0.030 0.000 1.051 57 V CA 0.895 63.171 62.300 -0.041 0.000 1.010 57 V CB 0.611 32.415 31.823 -0.032 0.000 0.988 57 V HN -1.064 7.055 8.190 -0.014 0.062 0.478 58 R N 4.892 125.360 120.500 -0.052 0.000 2.538 58 R HA 0.376 4.707 4.340 -0.015 0.000 0.292 58 R C -2.337 173.930 176.300 -0.055 0.000 1.008 58 R CA -2.566 53.513 56.100 -0.036 0.000 0.896 58 R CB 3.366 33.646 30.300 -0.033 0.000 1.187 58 R HN 0.264 8.485 8.270 -0.080 0.000 0.440 59 D N 3.566 123.952 120.400 -0.022 0.000 2.422 59 D HA 0.053 4.639 4.640 -0.090 0.000 0.227 59 D C 0.012 176.308 176.300 -0.007 0.000 1.190 59 D CA -0.868 53.117 54.000 -0.024 0.000 0.905 59 D CB 0.321 41.157 40.800 0.060 0.000 1.034 59 D HN 0.229 8.600 8.370 0.002 0.000 0.507 60 T N 1.146 115.681 114.554 -0.031 0.000 2.816 60 T HA 0.097 4.455 4.350 0.013 0.000 0.282 60 T C 0.350 175.068 174.700 0.029 0.000 0.993 60 T CA -1.227 60.875 62.100 0.004 0.000 0.994 60 T CB 0.949 69.820 68.868 0.004 0.000 1.025 60 T HN -0.448 7.752 8.240 -0.067 0.000 0.529 61 M N -0.085 119.545 119.600 0.050 0.000 2.089 61 M HA -0.268 4.248 4.480 0.060 0.000 0.257 61 M C -1.005 175.323 176.300 0.047 0.000 1.071 61 M CA 3.144 58.479 55.300 0.058 0.000 1.096 61 M CB -0.011 32.628 32.600 0.066 0.000 1.330 61 M HN 0.050 8.372 8.290 0.053 0.000 0.403 62 L N -1.779 119.469 121.223 0.042 0.000 2.262 62 L HA 0.146 4.473 4.340 -0.021 0.000 0.288 62 L C -0.667 176.191 176.870 -0.019 0.000 1.035 62 L CA -0.774 54.058 54.840 -0.014 0.000 0.820 62 L CB -1.294 40.685 42.059 -0.133 0.000 1.204 62 L HN -0.323 7.954 8.230 0.077 0.000 0.424 63 C N 0.426 119.697 119.300 -0.049 0.000 0.168 63 C HA -0.411 4.024 4.460 -0.143 -0.060 0.017 63 C C -0.631 174.188 174.990 -0.285 0.000 0.171 63 C CA 1.468 60.391 59.018 -0.158 0.000 0.499 63 C CB -0.462 27.181 27.740 -0.162 0.000 3.212 63 C HN 0.911 9.134 8.230 -0.012 0.000 1.118 64 T N -1.646 112.703 114.554 -0.341 0.000 2.865 64 T HA 0.478 4.674 4.350 -0.256 0.000 0.294 64 T C -1.805 172.749 174.700 -0.242 0.000 1.119 64 T CA -1.443 60.467 62.100 -0.317 0.000 1.007 64 T CB 3.251 71.867 68.868 -0.421 0.000 1.225 64 T HN -0.117 8.179 8.240 -0.326 -0.251 0.515 65 C N -2.610 116.558 119.300 -0.220 0.000 3.241 65 C HA 0.869 5.257 4.460 -0.303 -0.110 0.312 65 C C -2.446 172.403 174.990 -0.235 0.000 1.350 65 C CA -3.523 55.345 59.018 -0.250 0.000 1.415 65 C CB 3.611 31.221 27.740 -0.217 0.000 1.770 65 C HN 0.228 8.342 8.230 -0.193 0.000 0.466 66 L N -0.372 120.667 121.223 -0.305 0.000 2.344 66 L HA 0.799 5.247 4.340 -0.119 -0.179 0.272 66 L C -0.941 175.877 176.870 -0.087 0.000 1.035 66 L CA -1.576 53.149 54.840 -0.192 0.000 0.807 66 L CB 2.584 44.519 42.059 -0.207 0.000 1.237 66 L HN 0.130 8.112 8.230 -0.414 0.000 0.442 67 V N -0.020 119.952 119.914 0.097 0.000 2.735 67 V HA 0.639 5.088 4.120 0.231 -0.190 0.310 67 V C -1.316 174.926 176.094 0.245 0.000 1.061 67 V CA -1.829 60.580 62.300 0.182 0.000 0.913 67 V CB 3.114 34.980 31.823 0.071 0.000 1.005 67 V HN -0.104 8.138 8.190 0.087 0.000 0.428 68 N N 4.569 123.402 118.700 0.221 0.000 2.643 68 N HA 0.202 4.928 4.740 -0.023 0.000 0.305 68 N C 1.095 176.570 175.510 -0.057 0.000 1.283 68 N CA -1.849 51.194 53.050 -0.010 0.000 0.946 68 N CB 1.513 39.853 38.487 -0.244 0.000 1.149 68 N HN -0.075 8.478 8.380 0.288 0.000 0.600 69 E N -1.075 119.016 120.200 -0.182 0.000 2.147 69 E HA -0.294 3.943 4.350 -0.188 0.000 0.199 69 E C 0.717 177.146 176.600 -0.284 0.000 1.005 69 E CA 3.097 59.325 56.400 -0.286 0.000 0.810 69 E CB -0.609 28.809 29.700 -0.471 0.000 0.736 69 E HN 0.427 8.659 8.360 -0.214 0.000 0.460 70 H N -2.065 116.997 119.070 -0.014 0.000 2.529 70 H HA 0.177 4.731 4.556 -0.004 0.000 0.277 70 H C -1.114 174.223 175.328 0.014 0.000 1.004 70 H CA -0.626 55.420 56.048 -0.003 0.000 1.167 70 H CB 0.425 30.180 29.762 -0.011 0.000 1.445 70 H HN -0.661 7.698 8.280 -0.135 -0.161 0.554 71 D N -5.449 115.020 120.400 0.114 0.000 3.090 71 D HA -0.392 4.298 4.640 0.082 0.000 0.215 71 D C -0.948 175.420 176.300 0.113 0.000 1.140 71 D CA 1.882 55.939 54.000 0.094 0.000 0.937 71 D CB -1.928 38.911 40.800 0.065 0.000 1.108 71 D HN -0.360 8.047 8.370 0.078 0.010 0.420 72 V N -1.425 118.587 119.914 0.163 0.000 2.811 72 V HA -0.127 4.073 4.120 0.133 0.000 0.302 72 V C -0.990 175.282 176.094 0.298 0.000 1.063 72 V CA 0.969 63.388 62.300 0.198 0.000 1.088 72 V CB 0.924 32.878 31.823 0.218 0.000 0.982 72 V HN -0.541 7.909 8.190 0.174 -0.156 0.485 73 R N 3.098 123.682 120.500 0.139 0.000 2.807 73 R HA 0.947 5.449 4.340 -0.079 -0.210 0.276 73 R C -1.432 174.630 176.300 -0.398 0.000 0.979 73 R CA -1.873 54.167 56.100 -0.100 0.000 0.928 73 R CB 3.878 34.106 30.300 -0.119 0.000 1.191 73 R HN 0.117 8.444 8.270 0.095 0.000 0.471 74 I N 1.565 121.678 120.570 -0.762 0.000 2.466 74 I HA 0.791 4.900 4.170 -0.451 -0.210 0.289 74 I C -2.249 173.584 176.117 -0.472 0.000 1.026 74 I CA -2.222 58.685 61.300 -0.655 0.000 1.078 74 I CB 3.362 40.820 38.000 -0.903 0.000 1.249 74 I HN -0.033 7.671 8.210 -0.843 0.000 0.429 75 S N 8.944 124.449 115.700 -0.324 0.000 2.664 75 S HA 0.603 5.014 4.470 -0.271 -0.104 0.304 75 S C -0.701 173.788 174.600 -0.185 0.000 1.099 75 S CA -0.882 57.170 58.200 -0.248 0.000 1.003 75 S CB 2.111 65.168 63.200 -0.240 0.000 1.092 75 S HN 0.183 8.327 8.310 -0.277 0.000 0.525 76 T N -0.176 114.284 114.554 -0.158 0.000 3.886 76 T HA -0.344 3.997 4.350 -0.201 -0.111 0.371 76 T C -0.055 174.520 174.700 -0.209 0.000 0.760 76 T CA 1.596 63.602 62.100 -0.156 0.000 1.966 76 T CB -2.386 66.461 68.868 -0.035 0.000 1.793 76 T HN 0.839 8.984 8.240 -0.158 0.000 0.798 77 V N -7.520 112.207 119.914 -0.311 0.000 3.590 77 V HA 0.079 4.014 4.120 -0.308 0.000 0.265 77 V C 0.659 176.622 176.094 -0.219 0.000 1.239 77 V CA 1.084 63.156 62.300 -0.380 0.000 1.117 77 V CB 0.681 32.020 31.823 -0.807 0.000 0.818 77 V HN -0.421 7.569 8.190 -0.333 0.000 0.451 78 E N 1.110 121.187 120.200 -0.206 0.000 2.216 78 E HA -0.278 4.056 4.350 -0.026 0.000 0.192 78 E C 1.090 177.757 176.600 0.112 0.000 0.988 78 E CA 2.518 58.879 56.400 -0.065 0.000 0.834 78 E CB -1.422 28.233 29.700 -0.075 0.000 0.772 78 E HN 0.578 8.770 8.360 -0.280 0.000 0.479 79 H N -0.427 118.713 119.070 0.116 0.000 2.333 79 H HA -0.191 4.492 4.556 0.211 0.000 0.302 79 H C 2.098 177.530 175.328 0.174 0.000 1.075 79 H CA 2.265 58.446 56.048 0.222 0.000 1.348 79 H CB 0.079 30.062 29.762 0.369 0.000 1.393 79 H HN -0.200 8.033 8.280 -0.078 0.000 0.509 80 L N -1.096 120.112 121.223 -0.025 0.000 2.042 80 L HA -0.357 3.566 4.340 -0.696 0.000 0.210 80 L C 0.945 177.779 176.870 -0.059 0.000 1.076 80 L CA 2.745 57.294 54.840 -0.485 0.000 0.749 80 L CB -0.483 41.085 42.059 -0.819 0.000 0.893 80 L HN -0.154 8.042 8.230 -0.058 0.000 0.432 81 N N -1.548 117.199 118.700 0.079 0.000 2.149 81 N HA -0.425 4.455 4.740 0.232 0.000 0.188 81 N C 1.762 177.360 175.510 0.145 0.000 1.019 81 N CA 3.639 56.804 53.050 0.193 0.000 0.857 81 N CB 0.132 38.748 38.487 0.215 0.000 0.997 81 N HN -0.306 8.114 8.380 0.068 0.000 0.426 82 A N -0.894 122.011 122.820 0.142 0.000 1.933 82 A HA -0.225 4.101 4.320 0.011 0.000 0.218 82 A C 1.663 179.170 177.584 -0.129 0.000 1.175 82 A CA 2.899 54.984 52.037 0.079 0.000 0.628 82 A CB -0.780 18.390 19.000 0.283 0.000 0.814 82 A HN -0.341 7.825 8.150 0.185 0.095 0.444 83 A N -1.587 121.291 122.820 0.097 0.000 1.969 83 A HA -0.261 4.123 4.320 0.106 0.000 0.218 83 A C 2.009 179.529 177.584 -0.107 0.000 1.169 83 A CA 2.801 54.894 52.037 0.094 0.000 0.635 83 A CB -0.923 18.260 19.000 0.306 0.000 0.810 83 A HN -0.512 7.674 8.150 0.199 0.083 0.445 84 L N -1.990 119.166 121.223 -0.112 0.000 2.017 84 L HA -0.455 3.831 4.340 -0.090 0.000 0.208 84 L C 2.124 178.718 176.870 -0.460 0.000 1.073 84 L CA 3.001 57.751 54.840 -0.150 0.000 0.745 84 L CB -0.576 41.515 42.059 0.052 0.000 0.894 84 L HN -0.350 7.745 8.230 -0.051 0.105 0.432 85 A N -1.659 120.662 122.820 -0.832 0.000 1.902 85 A HA -0.249 3.148 4.320 -1.539 0.000 0.217 85 A C 2.828 180.158 177.584 -0.424 0.000 1.181 85 A CA 2.755 54.137 52.037 -1.091 0.000 0.623 85 A CB -0.866 17.525 19.000 -1.016 0.000 0.818 85 A HN -0.479 7.258 8.150 -0.689 0.000 0.443 86 G N -0.995 107.477 108.800 -0.547 0.000 2.476 86 G HA2 -0.305 3.437 3.960 -0.363 0.000 0.218 86 G HA3 -0.305 3.050 3.960 -1.008 0.000 0.218 86 G C 0.924 175.750 174.900 -0.123 0.000 1.164 86 G CA 1.872 46.652 45.100 -0.533 0.000 0.768 86 G HN -0.222 7.623 8.290 -0.743 0.000 0.560 87 L N -3.043 118.117 121.223 -0.104 0.000 2.592 87 L HA 0.037 4.386 4.340 0.015 0.000 0.227 87 L C -0.223 176.641 176.870 -0.011 0.000 1.127 87 L CA -0.687 54.144 54.840 -0.016 0.000 0.884 87 L CB -0.272 41.790 42.059 0.004 0.000 1.065 87 L HN -0.651 7.486 8.230 -0.154 0.000 0.457 88 G N -0.471 108.297 108.800 -0.054 0.000 2.324 88 G HA2 -0.349 3.559 3.960 -0.087 0.000 0.292 88 G HA3 -0.349 3.628 3.960 0.029 0.000 0.292 88 G C -0.125 174.756 174.900 -0.032 0.000 1.079 88 G CA 0.462 45.541 45.100 -0.036 0.000 1.026 88 G HN -0.622 7.424 8.290 -0.113 0.176 0.506 89 I N -0.770 119.769 120.570 -0.052 0.000 2.331 89 I HA -0.037 4.132 4.170 -0.002 0.000 0.292 89 I C -1.644 174.511 176.117 0.063 0.000 0.998 89 I CA -2.043 59.256 61.300 -0.001 0.000 1.267 89 I CB -1.230 36.769 38.000 -0.002 0.000 1.386 89 I HN -0.182 7.964 8.210 -0.106 0.000 0.476 90 D N 4.311 124.720 120.400 0.016 0.000 2.394 90 D HA 0.177 4.833 4.640 0.026 0.000 0.226 90 D C -0.710 175.547 176.300 -0.073 0.000 0.990 90 D CA 1.525 55.512 54.000 -0.021 0.000 0.902 90 D CB 2.383 43.139 40.800 -0.072 0.000 1.038 90 D HN 0.126 8.493 8.370 -0.006 0.000 0.499 91 N N -1.803 116.862 118.700 -0.059 0.000 2.296 91 N HA 0.464 5.234 4.740 -0.098 -0.089 0.294 91 N C -1.747 173.723 175.510 -0.067 0.000 1.033 91 N CA -0.628 52.377 53.050 -0.075 0.000 0.839 91 N CB 3.484 41.931 38.487 -0.066 0.000 1.395 91 N HN -0.561 7.793 8.380 -0.042 0.000 0.479 92 I N 1.518 122.034 120.570 -0.090 0.000 2.763 92 I HA 0.410 4.679 4.170 -0.075 -0.144 0.292 92 I C -3.193 172.845 176.117 -0.132 0.000 1.610 92 I CA -0.215 61.027 61.300 -0.097 0.000 1.002 92 I CB 4.001 41.941 38.000 -0.101 0.000 1.416 92 I HN 0.556 8.704 8.210 -0.103 0.000 0.479 93 V N 6.721 126.568 119.914 -0.112 0.000 2.417 93 V HA 0.450 4.639 4.120 -0.147 -0.157 0.291 93 V C -1.442 174.571 176.094 -0.136 0.000 1.024 93 V CA -1.321 60.908 62.300 -0.120 0.000 0.861 93 V CB 2.074 33.857 31.823 -0.067 0.000 0.985 93 V HN -0.173 7.965 8.190 -0.087 0.000 0.436 94 I N 8.390 128.837 120.570 -0.204 0.000 2.354 94 I HA 0.368 4.593 4.170 -0.127 -0.131 0.286 94 I C -1.672 174.415 176.117 -0.050 0.000 1.007 94 I CA -0.987 60.202 61.300 -0.186 0.000 1.167 94 I CB 1.351 39.087 38.000 -0.440 0.000 1.320 94 I HN 0.914 8.974 8.210 -0.249 0.000 0.458 95 E N 7.447 127.648 120.200 0.001 0.000 2.195 95 E HA 0.943 5.551 4.350 0.064 -0.220 0.271 95 E C -0.790 175.846 176.600 0.060 0.000 0.923 95 E CA -2.188 54.238 56.400 0.044 0.000 0.790 95 E CB 3.300 33.020 29.700 0.033 0.000 1.155 95 E HN 0.564 8.922 8.360 -0.005 0.000 0.402 96 V N -3.023 116.934 119.914 0.072 0.000 2.841 96 V HA 0.866 5.236 4.120 0.062 -0.213 0.310 96 V C -1.044 175.084 176.094 0.056 0.000 1.090 96 V CA -3.399 58.940 62.300 0.064 0.000 0.930 96 V CB 3.542 35.405 31.823 0.066 0.000 1.014 96 V HN 0.257 8.497 8.190 0.082 0.000 0.425 97 N N 3.363 122.091 118.700 0.048 0.000 2.484 97 N HA 0.061 4.826 4.740 0.042 0.000 0.245 97 N C -1.540 173.991 175.510 0.035 0.000 1.184 97 N CA -1.417 51.657 53.050 0.040 0.000 0.884 97 N CB -1.511 36.996 38.487 0.034 0.000 1.182 97 N HN -0.093 8.316 8.380 0.048 0.000 0.493 98 A N -1.707 121.134 122.820 0.035 0.000 2.536 98 A HA 0.304 4.738 4.320 0.020 -0.102 0.293 98 A C -2.525 175.063 177.584 0.006 0.000 1.119 98 A CA -1.469 50.581 52.037 0.022 0.000 0.654 98 A CB 0.241 19.256 19.000 0.025 0.000 1.291 98 A HN -0.939 7.134 8.150 0.039 0.101 0.439 99 P HA 0.064 4.451 4.420 -0.056 0.000 0.237 99 P C -1.745 175.493 177.300 -0.104 0.000 1.178 99 P CA 0.710 63.772 63.100 -0.063 0.000 0.766 99 P CB 0.723 32.374 31.700 -0.082 0.000 0.876 100 E N -6.387 113.782 120.200 -0.052 0.000 2.413 100 E HA 0.239 4.646 4.350 -0.100 -0.117 0.277 100 E C -1.598 175.008 176.600 0.010 0.000 0.958 100 E CA -2.545 53.828 56.400 -0.044 0.000 0.779 100 E CB 2.808 32.516 29.700 0.014 0.000 1.278 100 E HN -0.695 7.594 8.360 -0.019 0.060 0.456 101 I N 0.224 120.802 120.570 0.013 0.000 2.496 101 I HA 0.167 4.393 4.170 0.093 0.000 0.285 101 I C -1.194 175.005 176.117 0.136 0.000 1.080 101 I CA -3.346 58.001 61.300 0.078 0.000 1.404 101 I CB -0.991 37.040 38.000 0.051 0.000 1.403 101 I HN -0.087 8.105 8.210 -0.029 0.000 0.539 102 P HA -0.158 4.456 4.420 0.125 -0.119 0.265 102 P C -0.971 176.466 177.300 0.227 0.000 1.187 102 P CA -0.180 63.024 63.100 0.174 0.000 0.766 102 P CB 0.544 32.347 31.700 0.171 0.000 0.820 103 I N 2.698 123.356 120.570 0.147 0.000 2.761 103 I HA -0.141 4.161 4.170 0.220 0.000 0.261 103 I C 0.605 176.787 176.117 0.108 0.000 1.198 103 I CA -0.893 60.500 61.300 0.154 0.000 1.482 103 I CB 1.319 39.368 38.000 0.082 0.000 1.100 103 I HN -0.001 8.273 8.210 0.105 0.000 0.445 104 M N -3.748 115.873 119.600 0.036 0.000 7.319 104 M HA -0.508 3.941 4.480 -0.050 0.000 0.313 104 M C -0.214 176.060 176.300 -0.043 0.000 0.480 104 M CA 2.461 57.726 55.300 -0.058 0.000 1.311 104 M CB -2.555 29.901 32.600 -0.240 0.000 0.421 104 M HN -0.201 8.093 8.290 0.050 0.026 0.747 105 D N -0.573 119.782 120.400 -0.075 0.000 2.340 105 D HA 0.052 4.909 4.640 -0.039 -0.241 0.217 105 D C 1.332 177.605 176.300 -0.044 0.000 1.081 105 D CA -0.959 53.009 54.000 -0.054 0.000 0.842 105 D CB 0.499 41.259 40.800 -0.067 0.000 0.934 105 D HN 0.145 8.443 8.370 -0.120 0.000 0.511 106 G N -1.013 107.780 108.800 -0.011 0.000 2.195 106 G HA2 -0.382 3.612 3.960 0.078 0.000 0.246 106 G HA3 -0.382 3.666 3.960 -0.054 -0.121 0.246 106 G C -0.344 174.506 174.900 -0.084 0.000 0.984 106 G CA 0.627 45.723 45.100 -0.007 0.000 0.633 106 G HN -0.077 8.161 8.290 0.012 0.060 0.525 107 S N -0.338 115.324 115.700 -0.063 0.000 2.786 107 S HA 0.534 5.026 4.470 -0.098 -0.081 0.302 107 S C -1.149 173.464 174.600 0.021 0.000 1.080 107 S CA -1.751 56.412 58.200 -0.062 0.000 0.925 107 S CB 2.661 65.840 63.200 -0.035 0.000 1.325 107 S HN -0.432 8.090 8.310 -0.055 -0.245 0.576 108 A N -2.422 120.445 122.820 0.078 0.000 2.303 108 A HA 0.195 4.842 4.320 0.545 0.000 0.217 108 A C 1.048 178.726 177.584 0.157 0.000 1.205 108 A CA 0.275 52.491 52.037 0.298 0.000 0.875 108 A CB 0.435 19.670 19.000 0.392 0.000 0.910 108 A HN 0.070 8.232 8.150 0.019 0.000 0.501 109 A N 0.263 123.090 122.820 0.012 0.000 1.902 109 A HA -0.085 4.219 4.320 -0.026 0.000 0.217 109 A C -1.454 176.160 177.584 0.049 0.000 1.181 109 A CA 4.279 56.317 52.037 0.001 0.000 0.623 109 A CB -2.415 16.594 19.000 0.015 0.000 0.818 109 A HN -0.227 7.914 8.150 -0.015 0.000 0.443 110 P HA -0.129 4.399 4.420 0.179 0.000 0.222 110 P C 1.075 178.362 177.300 -0.020 0.000 1.147 110 P CA 2.566 65.639 63.100 -0.045 0.000 0.790 110 P CB -0.250 31.276 31.700 -0.289 0.000 0.780 111 F N -3.736 116.304 119.950 0.150 0.000 2.293 111 F HA -0.137 4.466 4.527 0.127 0.000 0.297 111 F C 1.752 177.610 175.800 0.097 0.000 1.089 111 F CA 2.471 60.548 58.000 0.130 0.000 1.377 111 F CB -0.784 38.301 39.000 0.142 0.000 1.051 111 F HN -0.475 7.696 8.300 -0.174 0.025 0.511 112 V N 0.847 120.881 119.914 0.200 0.000 2.255 112 V HA -0.623 3.556 4.120 0.098 0.000 0.247 112 V C 1.704 177.776 176.094 -0.036 0.000 1.051 112 V CA 4.759 67.073 62.300 0.024 0.000 1.018 112 V CB -0.171 31.550 31.823 -0.169 0.000 0.641 112 V HN -0.659 7.536 8.190 0.173 0.099 0.445 113 Y N -3.036 117.318 120.300 0.091 0.000 2.224 113 Y HA -0.378 4.207 4.550 0.058 0.000 0.289 113 Y C 2.230 178.175 175.900 0.074 0.000 1.146 113 Y CA 3.837 61.975 58.100 0.063 0.000 1.182 113 Y CB -0.767 37.712 38.460 0.032 0.000 0.983 113 Y HN -0.907 7.368 8.280 -0.009 0.000 0.524 114 L N -0.110 121.262 121.223 0.249 0.000 2.046 114 L HA -0.256 4.185 4.340 0.168 0.000 0.208 114 L C 1.749 178.707 176.870 0.146 0.000 1.077 114 L CA 2.642 57.597 54.840 0.192 0.000 0.747 114 L CB -0.303 41.895 42.059 0.230 0.000 0.896 114 L HN -0.776 7.615 8.230 0.269 0.000 0.432 115 L N -2.725 118.582 121.223 0.140 0.000 2.093 115 L HA -0.485 3.904 4.340 0.082 0.000 0.208 115 L C 2.371 179.286 176.870 0.074 0.000 1.085 115 L CA 2.893 57.789 54.840 0.093 0.000 0.755 115 L CB -0.457 41.652 42.059 0.082 0.000 0.904 115 L HN -0.386 7.942 8.230 0.163 0.000 0.435 116 L N -1.533 119.738 121.223 0.080 0.000 2.083 116 L HA -0.502 3.871 4.340 0.054 0.000 0.209 116 L C 2.370 179.285 176.870 0.076 0.000 1.083 116 L CA 2.805 57.687 54.840 0.070 0.000 0.752 116 L CB -0.617 41.487 42.059 0.075 0.000 0.899 116 L HN -0.432 7.851 8.230 0.087 0.000 0.433 117 D N -1.760 118.695 120.400 0.092 0.000 2.144 117 D HA -0.244 4.439 4.640 0.071 0.000 0.199 117 D C 1.978 178.313 176.300 0.058 0.000 0.984 117 D CA 3.362 57.408 54.000 0.076 0.000 0.834 117 D CB -0.408 40.441 40.800 0.083 0.000 0.955 117 D HN -0.371 8.066 8.370 0.111 0.000 0.465 118 A N -3.450 119.404 122.820 0.057 0.000 2.066 118 A HA -0.036 4.308 4.320 0.039 0.000 0.218 118 A C 0.126 177.731 177.584 0.035 0.000 1.157 118 A CA 0.884 52.947 52.037 0.043 0.000 0.670 118 A CB 0.279 19.303 19.000 0.040 0.000 0.804 118 A HN -0.850 7.220 8.150 0.066 0.119 0.453 119 G N -3.117 105.706 108.800 0.038 0.000 2.846 119 G HA2 -0.332 3.649 3.960 0.035 0.000 0.660 119 G HA3 -0.332 3.646 3.960 0.030 0.000 0.660 119 G C -1.562 173.354 174.900 0.027 0.000 1.464 119 G CA -0.564 44.555 45.100 0.032 0.000 0.891 119 G HN -0.674 7.515 8.290 0.044 0.128 0.552 120 I N 0.373 120.958 120.570 0.025 0.000 2.493 120 I HA 0.390 4.736 4.170 0.019 -0.164 0.298 120 I C -1.026 175.104 176.117 0.020 0.000 0.998 120 I CA -1.374 59.940 61.300 0.022 0.000 1.137 120 I CB 3.161 41.177 38.000 0.026 0.000 1.310 120 I HN 0.069 8.295 8.210 0.027 0.000 0.445 121 D N 7.543 127.953 120.400 0.016 0.000 2.473 121 D HA 0.209 4.859 4.640 0.016 0.000 0.253 121 D C -1.278 175.031 176.300 0.014 0.000 1.233 121 D CA -1.202 52.807 54.000 0.014 0.000 0.908 121 D CB 2.380 43.185 40.800 0.010 0.000 1.170 121 D HN 0.314 8.692 8.370 0.014 0.000 0.558 122 E N 4.342 124.554 120.200 0.019 0.000 2.324 122 E HA 0.030 4.532 4.350 0.022 -0.139 0.271 122 E C -0.467 176.143 176.600 0.016 0.000 1.028 122 E CA 0.506 56.919 56.400 0.022 0.000 0.890 122 E CB 0.554 30.272 29.700 0.030 0.000 1.004 122 E HN 0.212 8.585 8.360 0.021 0.000 0.431 123 L N 4.125 125.356 121.223 0.013 0.000 2.325 123 L HA 0.252 4.596 4.340 0.006 0.000 0.279 123 L C 0.199 177.076 176.870 0.012 0.000 1.054 123 L CA -1.129 53.715 54.840 0.007 0.000 0.804 123 L CB 1.532 43.590 42.059 -0.002 0.000 1.200 123 L HN 0.054 8.292 8.230 0.013 0.000 0.436 124 N N 4.110 122.816 118.700 0.010 0.000 2.971 124 N HA -0.059 4.692 4.740 0.019 0.000 0.294 124 N C -1.361 174.155 175.510 0.009 0.000 1.210 124 N CA 0.588 53.645 53.050 0.013 0.000 1.157 124 N CB -0.947 37.546 38.487 0.010 0.000 1.450 124 N HN 0.320 8.704 8.380 0.007 0.000 0.527 125 C N 1.658 120.966 119.300 0.012 0.000 3.113 125 C HA 0.181 4.644 4.460 0.005 0.000 0.376 125 C C -2.581 172.420 174.990 0.018 0.000 1.077 125 C CA -1.160 57.862 59.018 0.006 0.000 1.253 125 C CB 3.077 30.812 27.740 -0.008 0.000 1.637 125 C HN 0.004 8.199 8.230 0.018 0.046 0.535 126 A N 6.000 128.832 122.820 0.020 0.000 2.511 126 A HA -0.025 4.472 4.320 0.073 -0.133 0.242 126 A C -1.280 176.330 177.584 0.043 0.000 1.069 126 A CA 0.509 52.574 52.037 0.047 0.000 0.763 126 A CB 0.544 19.566 19.000 0.036 0.000 1.001 126 A HN 0.313 8.469 8.150 0.010 0.000 0.498 127 K N 4.608 125.066 120.400 0.096 0.000 2.258 127 K HA 0.077 4.388 4.320 -0.015 0.000 0.284 127 K C -0.676 175.970 176.600 0.076 0.000 1.051 127 K CA -0.497 55.816 56.287 0.044 0.000 0.923 127 K CB 0.873 33.401 32.500 0.046 0.000 1.046 127 K HN -0.244 8.096 8.250 0.149 0.000 0.474 128 K N 5.309 125.697 120.400 -0.021 0.000 2.183 128 K HA 0.236 4.782 4.320 0.136 -0.144 0.274 128 K C -0.908 175.668 176.600 -0.040 0.000 1.009 128 K CA -0.590 55.709 56.287 0.019 0.000 0.888 128 K CB 1.246 33.620 32.500 -0.210 0.000 1.078 128 K HN 0.198 8.433 8.250 -0.024 0.000 0.459 129 F N 1.293 121.284 119.950 0.068 0.000 2.507 129 F HA 0.309 4.941 4.527 -0.001 -0.105 0.327 129 F C -0.072 175.752 175.800 0.040 0.000 1.068 129 F CA -1.873 56.141 58.000 0.023 0.000 0.965 129 F CB 3.219 42.230 39.000 0.018 0.000 1.192 129 F HN -0.026 8.593 8.300 0.532 0.000 0.476 130 V N 1.498 121.476 119.914 0.107 0.000 2.320 130 V HA 0.060 4.324 4.120 0.045 -0.116 0.265 130 V C -1.222 174.898 176.094 0.044 0.000 1.048 130 V CA -0.485 61.807 62.300 -0.013 0.000 0.865 130 V CB 0.447 32.091 31.823 -0.298 0.000 1.043 130 V HN 0.317 8.536 8.190 0.048 0.000 0.474 131 R N 8.797 129.373 120.500 0.127 0.000 2.202 131 R HA 0.179 4.727 4.340 0.126 -0.133 0.334 131 R C -0.570 175.803 176.300 0.121 0.000 1.036 131 R CA -1.152 55.020 56.100 0.121 0.000 0.878 131 R CB 1.402 31.765 30.300 0.106 0.000 1.067 131 R HN 0.306 8.669 8.270 0.156 0.000 0.457 132 I N 7.354 127.981 120.570 0.095 0.000 2.668 132 I HA -0.254 3.981 4.170 0.108 0.000 0.285 132 I C 0.084 176.280 176.117 0.132 0.000 1.168 132 I CA 0.458 61.823 61.300 0.108 0.000 1.424 132 I CB -1.606 36.468 38.000 0.125 0.000 1.377 132 I HN 0.160 8.424 8.210 0.090 0.000 0.560 133 K N 7.579 128.054 120.400 0.124 0.000 2.365 133 K HA 0.129 4.498 4.320 0.082 0.000 0.195 133 K C -0.021 176.632 176.600 0.088 0.000 1.079 133 K CA 0.482 56.821 56.287 0.086 0.000 0.979 133 K CB 1.729 34.254 32.500 0.041 0.000 0.929 133 K HN 0.376 8.612 8.250 0.143 0.099 0.523 134 E N -1.939 118.325 120.200 0.107 0.000 2.336 134 E HA 0.221 4.623 4.350 0.087 0.000 0.267 134 E C -1.776 174.902 176.600 0.129 0.000 0.906 134 E CA -1.291 55.169 56.400 0.100 0.000 0.781 134 E CB 2.805 32.554 29.700 0.081 0.000 1.261 134 E HN -0.746 7.689 8.360 0.125 0.000 0.436 135 T N -1.104 113.517 114.554 0.113 0.000 2.870 135 T HA -0.021 4.606 4.350 0.160 -0.181 0.300 135 T C 0.023 174.798 174.700 0.124 0.000 0.989 135 T CA 0.031 62.206 62.100 0.124 0.000 1.139 135 T CB 0.624 69.541 68.868 0.081 0.000 0.920 135 T HN 0.070 8.365 8.240 0.092 0.000 0.537 136 V N 6.191 126.203 119.914 0.163 0.000 2.577 136 V HA 0.203 4.395 4.120 0.120 0.000 0.303 136 V C -2.115 174.074 176.094 0.159 0.000 1.042 136 V CA -0.744 61.649 62.300 0.156 0.000 0.872 136 V CB 3.040 34.974 31.823 0.184 0.000 0.998 136 V HN 0.301 8.612 8.190 0.202 0.000 0.423 137 R N 7.016 127.585 120.500 0.115 0.000 2.686 137 R HA 0.602 5.178 4.340 0.147 -0.148 0.286 137 R C -1.526 174.842 176.300 0.113 0.000 0.969 137 R CA -1.473 54.694 56.100 0.112 0.000 0.898 137 R CB 2.848 33.173 30.300 0.042 0.000 1.183 137 R HN 0.202 8.529 8.270 0.095 0.000 0.456 138 V N 0.604 120.604 119.914 0.144 0.000 2.876 138 V HA 0.643 4.826 4.120 0.105 0.000 0.312 138 V C -2.113 174.075 176.094 0.157 0.000 1.085 138 V CA -1.977 60.401 62.300 0.129 0.000 0.945 138 V CB 3.874 35.773 31.823 0.127 0.000 1.017 138 V HN 0.546 8.841 8.190 0.175 0.000 0.428 139 E N 2.099 122.376 120.200 0.128 0.000 2.392 139 E HA 0.469 5.059 4.350 0.202 -0.118 0.269 139 E C -2.201 174.462 176.600 0.106 0.000 0.924 139 E CA -1.484 55.005 56.400 0.150 0.000 0.784 139 E CB 4.034 33.814 29.700 0.133 0.000 1.292 139 E HN 0.277 8.699 8.360 0.102 0.000 0.447 140 D N 0.402 120.864 120.400 0.103 0.000 2.328 140 D HA 0.167 4.846 4.640 0.064 0.000 0.243 140 D C -0.390 175.952 176.300 0.069 0.000 1.324 140 D CA -0.670 53.373 54.000 0.071 0.000 0.966 140 D CB 0.982 41.814 40.800 0.053 0.000 1.324 140 D HN 0.091 8.433 8.370 0.126 0.104 0.549 141 G N 7.372 116.213 108.800 0.068 0.000 2.561 141 G HA2 -0.449 3.546 3.960 0.058 0.000 0.289 141 G HA3 -0.449 3.546 3.960 0.057 0.000 0.289 141 G C -0.417 174.547 174.900 0.106 0.000 1.169 141 G CA 1.435 46.576 45.100 0.068 0.000 0.980 141 G HN 0.244 8.572 8.290 0.063 0.000 0.550 142 D N 3.886 124.358 120.400 0.120 0.000 2.349 142 D HA -0.049 4.715 4.640 0.206 0.000 0.224 142 D C 0.181 176.680 176.300 0.331 0.000 1.029 142 D CA 0.215 54.341 54.000 0.210 0.000 0.879 142 D CB -0.437 40.483 40.800 0.201 0.000 0.906 142 D HN 0.281 8.707 8.370 0.092 0.000 0.528 143 K N -0.550 119.963 120.400 0.188 0.000 2.118 143 K HA 0.244 4.722 4.320 0.053 -0.126 0.264 143 K C -0.810 175.940 176.600 0.250 0.000 1.000 143 K CA -0.210 56.140 56.287 0.105 0.000 0.929 143 K CB 1.803 34.277 32.500 -0.043 0.000 1.021 143 K HN -0.596 7.665 8.250 0.128 0.065 0.463 144 W N -2.165 119.152 121.300 0.028 0.000 3.153 144 W HA 0.693 5.504 4.660 -0.012 -0.158 0.316 144 W C -3.334 173.129 176.519 -0.093 0.000 1.255 144 W CA -1.578 55.758 57.345 -0.015 0.000 1.192 144 W CB 2.958 32.413 29.460 -0.009 0.000 1.400 144 W HN 0.215 8.246 8.180 -0.249 0.000 0.568 145 A N -1.076 121.847 122.820 0.171 0.000 2.520 145 A HA 0.948 5.231 4.320 -0.353 -0.176 0.298 145 A C -2.758 174.896 177.584 0.117 0.000 1.051 145 A CA -0.547 51.443 52.037 -0.079 0.000 0.690 145 A CB 3.826 22.751 19.000 -0.125 0.000 1.281 145 A HN 0.458 8.774 8.150 0.278 0.000 0.402 146 E N 0.308 120.501 120.200 -0.011 0.000 2.413 146 E HA 1.040 5.636 4.350 0.163 -0.148 0.277 146 E C -2.398 174.201 176.600 -0.000 0.000 0.958 146 E CA -2.043 54.415 56.400 0.096 0.000 0.779 146 E CB 4.071 33.869 29.700 0.163 0.000 1.278 146 E HN 0.374 8.583 8.360 -0.250 0.000 0.456 147 F N 0.057 120.105 119.950 0.163 0.000 2.495 147 F HA 0.768 5.643 4.527 0.237 -0.206 0.327 147 F C -0.983 174.917 175.800 0.165 0.000 1.103 147 F CA -1.634 56.492 58.000 0.210 0.000 0.949 147 F CB 4.033 43.181 39.000 0.246 0.000 1.142 147 F HN 0.106 8.624 8.300 0.364 0.000 0.457 148 K N 2.530 123.185 120.400 0.425 0.000 2.375 148 K HA 0.539 5.009 4.320 0.251 0.000 0.249 148 K C -2.556 174.243 176.600 0.331 0.000 0.942 148 K CA -3.159 53.301 56.287 0.289 0.000 0.806 148 K CB 2.448 35.057 32.500 0.183 0.000 1.227 148 K HN 0.161 8.695 8.250 0.474 0.000 0.430 149 P HA -0.136 4.436 4.420 0.253 0.000 0.264 149 P C -1.411 176.095 177.300 0.343 0.000 1.183 149 P CA 0.532 63.784 63.100 0.253 0.000 0.763 149 P CB 0.112 31.915 31.700 0.171 0.000 0.807 150 Y N 4.219 124.624 120.300 0.175 0.000 2.288 150 Y HA -0.082 4.550 4.550 0.136 0.000 0.319 150 Y C -2.150 173.859 175.900 0.180 0.000 1.349 150 Y CA -0.421 57.780 58.100 0.169 0.000 1.287 150 Y CB 2.133 40.710 38.460 0.195 0.000 1.296 150 Y HN -0.230 8.234 8.280 0.307 0.000 0.431 151 N N 7.724 126.135 118.700 -0.482 0.000 2.971 151 N HA 0.024 4.696 4.740 -0.114 0.000 0.294 151 N C -1.370 173.832 175.510 -0.512 0.000 1.210 151 N CA -0.956 51.889 53.050 -0.340 0.000 1.157 151 N CB -1.508 36.852 38.487 -0.212 0.000 1.450 151 N HN 0.340 8.417 8.380 -0.505 0.000 0.527 152 G N 0.059 108.715 108.800 -0.240 0.000 2.333 152 G HA2 -0.028 3.962 3.960 0.050 0.000 0.288 152 G HA3 -0.028 3.911 3.960 -0.036 0.000 0.288 152 G C -3.642 171.595 174.900 0.562 0.000 1.286 152 G CA 0.003 45.135 45.100 0.053 0.000 0.865 152 G HN -0.552 7.704 8.290 0.006 0.038 0.506 153 F N 0.000 120.126 119.950 0.292 0.000 2.553 153 F HA 0.933 5.960 4.527 0.453 -0.227 0.335 153 F C -2.071 173.901 175.800 0.287 0.000 1.148 153 F CA -3.106 55.079 58.000 0.309 0.000 0.963 153 F CB 3.035 42.086 39.000 0.085 0.000 1.217 153 F HN 0.161 8.689 8.300 0.379 0.000 0.441 154 S N 6.845 122.515 115.700 -0.049 0.000 2.542 154 S HA 0.779 5.267 4.470 -0.211 -0.145 0.293 154 S C -2.011 172.432 174.600 -0.262 0.000 1.089 154 S CA -2.154 55.913 58.200 -0.222 0.000 0.961 154 S CB 3.062 66.108 63.200 -0.256 0.000 1.062 154 S HN 0.056 8.453 8.310 0.145 0.000 0.483 155 L N 0.765 121.888 121.223 -0.166 0.000 2.385 155 L HA 0.558 5.166 4.340 0.163 -0.170 0.273 155 L C -1.561 175.353 176.870 0.074 0.000 0.990 155 L CA 0.085 54.957 54.840 0.054 0.000 0.821 155 L CB 3.572 45.693 42.059 0.103 0.000 1.279 155 L HN 0.256 8.401 8.230 -0.143 0.000 0.412 156 D N 2.961 123.402 120.400 0.067 0.000 2.420 156 D HA 0.298 4.956 4.640 0.030 0.000 0.255 156 D C -2.145 174.155 176.300 0.000 0.000 1.185 156 D CA -0.928 53.074 54.000 0.003 0.000 0.904 156 D CB 1.916 42.667 40.800 -0.082 0.000 1.102 156 D HN 0.089 8.491 8.370 0.052 0.000 0.534 157 F N 6.856 126.806 119.950 -0.001 0.000 2.436 157 F HA 0.345 4.825 4.527 -0.078 0.000 0.340 157 F C -1.932 173.855 175.800 -0.021 0.000 1.113 157 F CA -0.894 57.103 58.000 -0.007 0.000 1.022 157 F CB 4.076 43.133 39.000 0.094 0.000 1.128 157 F HN 0.538 9.018 8.300 0.299 0.000 0.466 158 T N 9.042 123.515 114.554 -0.136 0.000 2.881 158 T HA 0.595 5.204 4.350 0.113 -0.192 0.291 158 T C -1.980 172.617 174.700 -0.171 0.000 0.990 158 T CA -0.263 61.822 62.100 -0.024 0.000 0.976 158 T CB 2.105 70.973 68.868 -0.001 0.000 0.970 158 T HN 0.149 8.067 8.240 -0.537 0.000 0.438 159 I N 4.618 125.149 120.570 -0.065 0.000 2.569 159 I HA 0.386 4.326 4.170 -0.384 0.000 0.296 159 I C -2.664 173.198 176.117 -0.424 0.000 1.028 159 I CA -2.846 58.274 61.300 -0.301 0.000 1.082 159 I CB 4.203 42.014 38.000 -0.315 0.000 1.264 159 I HN -0.282 7.944 8.210 0.027 0.000 0.429 160 D N 7.612 127.727 120.400 -0.474 0.000 2.374 160 D HA -0.041 4.478 4.640 -0.202 0.000 0.240 160 D C -1.160 174.935 176.300 -0.341 0.000 1.229 160 D CA -0.141 53.669 54.000 -0.316 0.000 0.895 160 D CB -0.248 40.400 40.800 -0.255 0.000 1.046 160 D HN 0.094 8.160 8.370 -0.507 0.000 0.498 161 F N 3.291 123.203 119.950 -0.063 0.000 2.436 161 F HA 0.150 4.622 4.527 -0.092 0.000 0.340 161 F C -0.455 175.303 175.800 -0.069 0.000 1.113 161 F CA -0.827 57.117 58.000 -0.095 0.000 1.022 161 F CB 2.336 41.230 39.000 -0.178 0.000 1.128 161 F HN -0.688 7.594 8.300 -0.031 0.000 0.466 162 N N 0.839 119.628 118.700 0.148 0.000 2.204 162 N HA 0.049 4.818 4.740 0.049 0.000 0.219 162 N C -0.960 174.563 175.510 0.022 0.000 1.151 162 N CA 0.046 53.129 53.050 0.056 0.000 0.867 162 N CB 0.912 39.407 38.487 0.014 0.000 1.043 162 N HN 0.171 8.652 8.380 0.169 0.000 0.516 163 H N 2.099 121.128 119.070 -0.068 0.000 2.652 163 H HA 0.212 4.703 4.556 -0.109 0.000 0.349 163 H C -0.456 174.811 175.328 -0.103 0.000 1.099 163 H CA -0.164 55.806 56.048 -0.130 0.000 1.417 163 H CB 1.687 31.298 29.762 -0.252 0.000 1.457 163 H HN -0.286 8.018 8.280 0.140 0.060 0.568 164 P HA -0.034 4.345 4.420 -0.069 0.000 0.226 164 P C -0.921 176.407 177.300 0.046 0.000 1.153 164 P CA 1.297 64.324 63.100 -0.121 0.000 0.777 164 P CB 0.277 31.889 31.700 -0.148 0.000 0.794 165 A N -3.818 119.160 122.820 0.263 0.000 2.345 165 A HA 0.102 4.496 4.320 0.123 0.000 0.225 165 A C -0.930 176.652 177.584 -0.004 0.000 1.243 165 A CA -0.190 51.948 52.037 0.168 0.000 0.875 165 A CB 1.116 20.245 19.000 0.215 0.000 0.929 165 A HN -0.381 8.135 8.150 0.689 0.048 0.502 166 I N -1.065 119.458 120.570 -0.078 0.000 2.439 166 I HA 0.065 4.154 4.170 -0.134 0.000 0.283 166 I C -1.411 174.691 176.117 -0.025 0.000 1.023 166 I CA -0.831 60.364 61.300 -0.175 0.000 1.100 166 I CB 0.890 38.580 38.000 -0.516 0.000 1.238 166 I HN -0.801 7.337 8.210 -0.015 0.062 0.445 167 D N 6.088 126.502 120.400 0.024 0.000 2.329 167 D HA 0.156 4.818 4.640 0.037 0.000 0.246 167 D C 1.440 177.778 176.300 0.064 0.000 1.111 167 D CA -0.759 53.268 54.000 0.045 0.000 0.941 167 D CB 2.541 43.371 40.800 0.050 0.000 1.169 167 D HN 0.054 8.446 8.370 0.035 0.000 0.441 168 S N 4.580 120.315 115.700 0.058 0.000 2.419 168 S HA -0.279 4.236 4.470 0.075 0.000 0.233 168 S C 1.415 176.058 174.600 0.071 0.000 1.016 168 S CA 2.601 60.840 58.200 0.065 0.000 0.974 168 S CB -0.223 63.007 63.200 0.050 0.000 0.786 168 S HN 0.409 8.748 8.310 0.048 0.000 0.492 169 S N 1.906 117.646 115.700 0.066 0.000 2.507 169 S HA -0.121 4.386 4.470 0.062 0.000 0.235 169 S C 0.282 174.937 174.600 0.091 0.000 0.988 169 S CA 1.652 59.893 58.200 0.068 0.000 0.944 169 S CB 0.072 63.307 63.200 0.059 0.000 0.762 169 S HN -0.444 8.152 8.310 0.060 -0.250 0.526 170 N N -0.299 118.466 118.700 0.108 0.000 2.610 170 N HA 0.244 5.073 4.740 0.148 0.000 0.307 170 N C -1.445 174.176 175.510 0.184 0.000 1.813 170 N CA 0.086 53.221 53.050 0.142 0.000 0.901 170 N CB 0.747 39.317 38.487 0.138 0.000 1.354 170 N HN -0.487 7.769 8.380 0.102 0.186 0.491 171 Q N -3.000 116.904 119.800 0.172 0.000 2.246 171 Q HA 0.101 4.597 4.340 0.260 0.000 0.222 171 Q C -1.724 174.387 176.000 0.184 0.000 0.851 171 Q CA 0.156 56.074 55.803 0.192 0.000 0.945 171 Q CB 2.565 31.383 28.738 0.133 0.000 1.122 171 Q HN -0.322 8.034 8.270 0.144 0.000 0.508 172 R N -0.567 120.041 120.500 0.181 0.000 2.532 172 R HA 0.724 5.385 4.340 0.202 -0.200 0.297 172 R C -1.923 174.512 176.300 0.226 0.000 0.984 172 R CA -0.793 55.413 56.100 0.178 0.000 0.884 172 R CB 2.538 32.900 30.300 0.104 0.000 1.182 172 R HN -0.703 7.670 8.270 0.173 0.000 0.442 173 Y N 6.614 126.975 120.300 0.101 0.000 2.477 173 Y HA 0.174 4.742 4.550 0.031 0.000 0.347 173 Y C -2.950 172.987 175.900 0.062 0.000 0.981 173 Y CA -0.700 57.434 58.100 0.056 0.000 1.033 173 Y CB 4.755 43.230 38.460 0.024 0.000 1.245 173 Y HN 0.048 8.527 8.280 0.332 0.000 0.455 174 A N 6.680 129.238 122.820 -0.437 0.000 2.486 174 A HA 1.099 5.583 4.320 -0.073 -0.207 0.300 174 A C -2.106 175.249 177.584 -0.381 0.000 1.048 174 A CA -1.132 50.759 52.037 -0.244 0.000 0.696 174 A CB 2.951 21.854 19.000 -0.161 0.000 1.278 174 A HN 0.258 7.886 8.150 -0.869 0.000 0.405 175 M N 1.033 120.533 119.600 -0.167 0.000 2.520 175 M HA 0.342 4.718 4.480 -0.173 0.000 0.280 175 M C -2.558 173.702 176.300 -0.066 0.000 1.232 175 M CA -0.642 54.585 55.300 -0.122 0.000 0.892 175 M CB 4.247 36.848 32.600 0.003 0.000 1.728 175 M HN 0.490 8.725 8.290 -0.092 0.000 0.475 176 N N 1.259 119.936 118.700 -0.039 0.000 2.414 176 N HA 0.218 5.068 4.740 0.007 -0.106 0.256 176 N C -0.135 175.399 175.510 0.040 0.000 1.029 176 N CA -0.312 52.745 53.050 0.011 0.000 0.948 176 N CB 0.048 38.557 38.487 0.038 0.000 1.102 176 N HN 0.126 8.478 8.380 -0.047 0.000 0.496 177 F N 6.687 126.580 119.950 -0.096 0.000 2.595 177 F HA -0.134 4.400 4.527 0.010 0.000 0.359 177 F C -1.789 174.006 175.800 -0.008 0.000 1.147 177 F CA 1.901 59.884 58.000 -0.028 0.000 1.341 177 F CB 1.493 40.520 39.000 0.045 0.000 1.104 177 F HN 0.319 8.695 8.300 0.127 0.000 0.603 178 S N 2.198 117.474 115.700 -0.707 0.000 2.608 178 S HA 0.230 4.841 4.470 -0.188 -0.253 0.285 178 S C -0.718 173.562 174.600 -0.534 0.000 1.108 178 S CA -1.481 56.477 58.200 -0.405 0.000 0.858 178 S CB 3.414 66.528 63.200 -0.144 0.000 1.077 178 S HN -0.428 7.158 8.310 -1.207 0.000 0.450 179 A N 2.693 125.372 122.820 -0.235 0.000 1.927 179 A HA -0.399 3.978 4.320 -0.142 -0.142 0.220 179 A C 0.876 178.424 177.584 -0.060 0.000 1.185 179 A CA 3.399 55.370 52.037 -0.110 0.000 0.639 179 A CB -0.184 18.824 19.000 0.013 0.000 0.820 179 A HN 0.918 9.017 8.150 -0.085 0.000 0.451 180 D N -2.067 118.293 120.400 -0.066 0.000 2.097 180 D HA -0.309 4.317 4.640 -0.023 0.000 0.197 180 D C 1.800 178.063 176.300 -0.062 0.000 0.984 180 D CA 3.178 57.152 54.000 -0.043 0.000 0.826 180 D CB -0.792 39.989 40.800 -0.033 0.000 0.973 180 D HN -0.171 8.149 8.370 -0.071 0.007 0.460 181 A N -0.518 122.240 122.820 -0.103 0.000 1.933 181 A HA -0.225 4.053 4.320 -0.071 0.000 0.218 181 A C 1.941 179.468 177.584 -0.096 0.000 1.175 181 A CA 2.799 54.777 52.037 -0.098 0.000 0.628 181 A CB -0.597 18.335 19.000 -0.115 0.000 0.814 181 A HN -0.569 7.501 8.150 -0.133 0.000 0.444 182 F N 0.163 119.942 119.950 -0.284 0.000 2.113 182 F HA -0.367 4.054 4.527 -0.176 0.000 0.297 182 F C 1.147 176.873 175.800 -0.124 0.000 1.103 182 F CA 3.624 61.493 58.000 -0.218 0.000 1.248 182 F CB 0.459 39.296 39.000 -0.272 0.000 0.999 182 F HN -0.123 8.114 8.300 -0.104 0.000 0.475 183 M N -3.328 116.236 119.600 -0.061 0.000 2.175 183 M HA -0.456 3.898 4.480 -0.209 0.000 0.264 183 M C 1.668 177.865 176.300 -0.173 0.000 1.063 183 M CA 4.043 59.264 55.300 -0.132 0.000 1.119 183 M CB -0.019 32.569 32.600 -0.019 0.000 1.377 183 M HN -0.630 7.698 8.290 0.062 0.000 0.415 184 R N -4.968 115.457 120.500 -0.124 0.000 2.175 184 R HA -0.076 4.240 4.340 -0.040 0.000 0.202 184 R C 1.930 178.180 176.300 -0.083 0.000 1.018 184 R CA 2.122 58.182 56.100 -0.067 0.000 1.029 184 R CB 0.819 31.101 30.300 -0.031 0.000 0.959 184 R HN -0.749 7.454 8.270 -0.111 0.000 0.480 185 Q N -2.870 116.826 119.800 -0.172 0.000 2.349 185 Q HA 0.025 4.179 4.340 -0.309 0.000 0.209 185 Q C 2.146 177.851 176.000 -0.491 0.000 0.920 185 Q CA 1.912 57.546 55.803 -0.282 0.000 0.901 185 Q CB 1.051 29.712 28.738 -0.127 0.000 1.021 185 Q HN -0.204 7.962 8.270 -0.174 0.000 0.519 186 I N -0.308 119.993 120.570 -0.449 0.000 3.718 186 I HA 0.122 3.988 4.170 -0.505 0.000 0.297 186 I C 1.995 177.800 176.117 -0.520 0.000 1.220 186 I CA 0.631 61.621 61.300 -0.516 0.000 1.381 186 I CB 0.342 38.059 38.000 -0.471 0.000 1.238 186 I HN -0.281 7.663 8.210 -0.443 0.000 0.448 187 S N 2.173 117.453 115.700 -0.699 0.000 2.400 187 S HA -0.370 3.678 4.470 -0.702 0.000 0.232 187 S C 1.508 175.990 174.600 -0.197 0.000 1.025 187 S CA 3.909 61.762 58.200 -0.579 0.000 0.993 187 S CB -0.439 62.456 63.200 -0.508 0.000 0.808 187 S HN 0.133 8.004 8.310 -0.733 0.000 0.478 188 R N 0.230 120.688 120.500 -0.069 0.000 2.310 188 R HA 0.068 4.400 4.340 -0.013 0.000 0.202 188 R C -0.860 175.497 176.300 0.095 0.000 0.933 188 R CA -0.015 56.103 56.100 0.030 0.000 1.054 188 R CB -0.224 30.110 30.300 0.057 0.000 0.985 188 R HN 0.024 8.240 8.270 -0.052 0.023 0.489 189 A N 0.081 122.981 122.820 0.133 0.000 2.451 189 A HA 0.004 4.598 4.320 0.208 -0.149 0.266 189 A C -0.777 176.880 177.584 0.121 0.000 1.119 189 A CA -0.427 51.703 52.037 0.155 0.000 0.786 189 A CB 0.377 19.419 19.000 0.070 0.000 1.061 189 A HN -0.307 7.823 8.150 0.045 0.047 0.503 190 R N 4.657 125.145 120.500 -0.020 0.000 2.528 190 R HA 0.066 4.467 4.340 -0.135 -0.141 0.271 190 R C -0.018 175.979 176.300 -0.505 0.000 1.056 190 R CA -0.867 55.133 56.100 -0.166 0.000 1.117 190 R CB 1.523 31.731 30.300 -0.153 0.000 1.085 190 R HN -0.093 8.455 8.270 -0.054 -0.311 0.530 191 T N -1.137 112.911 114.554 -0.843 0.000 2.748 191 T HA -0.116 3.217 4.350 -1.695 0.000 0.304 191 T C -1.222 173.290 174.700 -0.314 0.000 1.041 191 T CA 0.698 62.191 62.100 -1.011 0.000 1.033 191 T CB 1.125 69.690 68.868 -0.505 0.000 0.995 191 T HN -0.194 7.589 8.240 -0.587 0.105 0.536 192 F N -2.093 117.760 119.950 -0.161 0.000 2.643 192 F HA 1.188 5.892 4.527 -0.047 -0.205 0.314 192 F C -1.341 174.502 175.800 0.071 0.000 1.096 192 F CA -3.163 54.831 58.000 -0.011 0.000 0.953 192 F CB 3.529 42.610 39.000 0.135 0.000 1.345 192 F HN -0.031 7.721 8.300 -0.913 0.000 0.468 193 G N -2.048 106.936 108.800 0.307 0.000 2.623 193 G HA2 0.091 4.200 3.960 0.249 0.000 0.290 193 G HA3 0.091 4.129 3.960 0.130 0.000 0.290 193 G C -3.061 172.000 174.900 0.268 0.000 1.437 193 G CA -0.325 44.911 45.100 0.227 0.000 0.798 193 G HN 0.126 8.620 8.290 0.341 0.000 0.488 194 F N 0.503 120.501 119.950 0.080 0.000 2.411 194 F HA 0.547 5.245 4.527 0.040 -0.147 0.350 194 F C 0.061 175.884 175.800 0.038 0.000 1.114 194 F CA -2.158 55.873 58.000 0.051 0.000 1.135 194 F CB 2.125 41.156 39.000 0.052 0.000 1.120 194 F HN 0.164 8.676 8.300 0.354 0.000 0.495 195 M N 8.665 127.972 119.600 -0.489 0.000 2.117 195 M HA -0.348 4.008 4.480 -0.207 0.000 0.262 195 M C 0.870 176.944 176.300 -0.376 0.000 1.065 195 M CA 2.973 58.059 55.300 -0.357 0.000 1.114 195 M CB -0.026 32.405 32.600 -0.281 0.000 1.361 195 M HN 0.169 8.108 8.290 -0.586 0.000 0.408 196 R N -1.416 118.685 120.500 -0.665 0.000 2.075 196 R HA -0.275 4.110 4.340 -0.199 -0.164 0.232 196 R C 1.642 177.910 176.300 -0.054 0.000 1.126 196 R CA 2.612 58.528 56.100 -0.307 0.000 0.963 196 R CB -1.326 28.810 30.300 -0.273 0.000 0.858 196 R HN 0.286 7.802 8.270 -1.258 0.000 0.435 197 D N -0.376 120.050 120.400 0.043 0.000 2.104 197 D HA -0.263 4.487 4.640 0.184 0.000 0.194 197 D C 2.575 178.953 176.300 0.130 0.000 0.994 197 D CA 3.507 57.610 54.000 0.171 0.000 0.830 197 D CB -0.881 40.074 40.800 0.257 0.000 0.959 197 D HN -0.173 8.216 8.370 0.031 0.000 0.452 198 I N -0.264 120.330 120.570 0.041 0.000 2.179 198 I HA -0.574 3.604 4.170 0.014 0.000 0.242 198 I C 1.653 177.763 176.117 -0.012 0.000 1.088 198 I CA 4.295 65.594 61.300 -0.001 0.000 1.357 198 I CB -0.020 37.946 38.000 -0.058 0.000 1.051 198 I HN -0.585 7.629 8.210 0.008 0.000 0.409 199 E N -0.184 120.000 120.200 -0.026 0.000 2.086 199 E HA -0.457 3.865 4.350 -0.047 0.000 0.200 199 E C 2.469 179.089 176.600 0.034 0.000 1.012 199 E CA 3.219 59.609 56.400 -0.016 0.000 0.812 199 E CB -0.242 29.446 29.700 -0.020 0.000 0.743 199 E HN -0.263 8.065 8.360 -0.054 0.000 0.453 200 Y N 0.542 120.823 120.300 -0.030 0.000 2.145 200 Y HA -0.332 4.213 4.550 -0.009 0.000 0.286 200 Y C 1.924 177.819 175.900 -0.008 0.000 1.145 200 Y CA 3.257 61.352 58.100 -0.009 0.000 1.148 200 Y CB 0.147 38.614 38.460 0.012 0.000 0.981 200 Y HN -0.554 7.762 8.280 0.211 0.091 0.507 201 L N -2.681 118.540 121.223 -0.004 0.000 2.083 201 L HA -0.531 3.703 4.340 -0.177 0.000 0.209 201 L C 2.444 179.235 176.870 -0.132 0.000 1.083 201 L CA 3.190 57.975 54.840 -0.092 0.000 0.752 201 L CB -0.642 41.421 42.059 0.007 0.000 0.899 201 L HN -0.234 8.072 8.230 0.126 0.000 0.433 202 Q N -2.329 117.414 119.800 -0.096 0.000 2.291 202 Q HA -0.174 4.314 4.340 -0.084 -0.198 0.205 202 Q C 2.607 178.542 176.000 -0.109 0.000 0.970 202 Q CA 2.434 58.182 55.803 -0.092 0.000 0.876 202 Q CB 0.084 28.776 28.738 -0.078 0.000 0.935 202 Q HN -0.081 8.148 8.270 -0.069 0.000 0.455 203 S N -1.554 114.057 115.700 -0.148 0.000 2.461 203 S HA -0.149 4.258 4.470 -0.105 0.000 0.228 203 S C 0.697 175.180 174.600 -0.195 0.000 1.005 203 S CA 2.369 60.478 58.200 -0.151 0.000 0.942 203 S CB 0.050 63.165 63.200 -0.140 0.000 0.776 203 S HN -0.436 7.642 8.310 -0.165 0.134 0.514 204 R N 0.039 120.376 120.500 -0.272 0.000 2.359 204 R HA 0.162 4.379 4.340 -0.204 0.000 0.231 204 R C -0.019 176.203 176.300 -0.130 0.000 0.913 204 R CA -1.006 54.952 56.100 -0.237 0.000 1.075 204 R CB -0.917 29.175 30.300 -0.347 0.000 1.087 204 R HN -0.791 7.150 8.270 -0.311 0.142 0.515 205 G N -0.879 107.859 108.800 -0.103 0.000 2.136 205 G HA2 -0.413 3.513 3.960 -0.056 0.000 0.242 205 G HA3 -0.413 3.516 3.960 -0.051 0.000 0.242 205 G C -0.796 174.080 174.900 -0.040 0.000 0.989 205 G CA 0.475 45.538 45.100 -0.061 0.000 0.682 205 G HN -0.475 7.569 8.290 -0.114 0.178 0.522 206 L N -2.624 118.568 121.223 -0.051 0.000 2.304 206 L HA 0.419 4.766 4.340 0.011 0.000 0.268 206 L C 0.155 176.999 176.870 -0.044 0.000 1.010 206 L CA -1.932 52.896 54.840 -0.019 0.000 0.813 206 L CB 2.439 44.495 42.059 -0.006 0.000 1.315 206 L HN -0.271 7.780 8.230 -0.078 0.132 0.445 207 C N -1.391 117.870 119.300 -0.064 0.000 4.268 207 C HA -0.336 4.129 4.460 -0.205 -0.129 0.299 207 C C 1.375 176.311 174.990 -0.089 0.000 1.429 207 C CA 1.000 59.942 59.018 -0.127 0.000 2.018 207 C CB -1.857 25.815 27.740 -0.113 0.000 1.277 207 C HN 0.750 8.953 8.230 -0.046 0.000 0.767 208 L N -1.185 120.005 121.223 -0.055 0.000 2.291 208 L HA -0.137 4.171 4.340 -0.054 0.000 0.214 208 L C 1.442 178.284 176.870 -0.046 0.000 1.120 208 L CA 2.038 56.852 54.840 -0.045 0.000 0.799 208 L CB -0.558 41.487 42.059 -0.023 0.000 0.925 208 L HN -0.172 8.039 8.230 -0.035 -0.002 0.446 209 G N -2.986 105.786 108.800 -0.046 0.000 2.985 209 G HA2 0.096 4.037 3.960 -0.032 0.000 0.209 209 G HA3 0.096 4.239 3.960 -0.027 -0.199 0.209 209 G C -0.153 174.712 174.900 -0.059 0.000 1.165 209 G CA -0.587 44.490 45.100 -0.040 0.000 0.776 209 G HN -0.423 7.701 8.290 -0.050 0.136 0.541 210 G N 0.548 109.298 108.800 -0.084 0.000 2.365 210 G HA2 -0.036 3.869 3.960 -0.092 0.000 0.249 210 G HA3 -0.036 3.856 3.960 -0.114 0.000 0.249 210 G C -1.607 173.216 174.900 -0.128 0.000 1.288 210 G CA 0.269 45.307 45.100 -0.103 0.000 0.887 210 G HN -0.656 7.521 8.290 -0.088 0.061 0.524 211 S N 2.769 118.388 115.700 -0.135 0.000 2.636 211 S HA 0.224 4.520 4.470 -0.291 0.000 0.268 211 S C 0.422 174.934 174.600 -0.147 0.000 1.159 211 S CA -1.306 56.784 58.200 -0.183 0.000 0.815 211 S CB 2.015 65.162 63.200 -0.088 0.000 1.130 211 S HN -0.563 7.682 8.310 -0.108 0.000 0.471 212 F N 0.528 120.458 119.950 -0.034 0.000 2.269 212 F HA -0.070 4.433 4.527 -0.039 0.000 0.301 212 F C 1.626 177.398 175.800 -0.047 0.000 1.082 212 F CA 1.905 59.882 58.000 -0.039 0.000 1.360 212 F CB -0.257 38.720 39.000 -0.037 0.000 1.041 212 F HN 0.508 8.705 8.300 -0.173 0.000 0.512 213 D N -1.018 119.454 120.400 0.119 0.000 2.371 213 D HA -0.045 4.623 4.640 0.048 0.000 0.221 213 D C 0.274 176.581 176.300 0.011 0.000 0.986 213 D CA 2.299 56.328 54.000 0.049 0.000 0.899 213 D CB -0.129 40.686 40.800 0.026 0.000 0.902 213 D HN -0.280 8.112 8.370 0.094 0.035 0.530 214 C N -6.153 113.150 119.300 0.006 0.000 3.642 214 C HA 0.501 5.039 4.460 -0.014 -0.087 0.305 214 C C -1.821 173.156 174.990 -0.021 0.000 1.492 214 C CA -2.909 56.102 59.018 -0.011 0.000 1.809 214 C CB 1.782 29.515 27.740 -0.012 0.000 2.639 214 C HN -0.577 7.502 8.230 0.010 0.157 0.672 215 A N -0.698 122.115 122.820 -0.011 0.000 2.594 215 A HA 0.235 4.634 4.320 -0.058 -0.115 0.296 215 A C -2.469 175.131 177.584 0.028 0.000 1.056 215 A CA -0.302 51.722 52.037 -0.022 0.000 0.693 215 A CB 2.367 21.349 19.000 -0.030 0.000 1.278 215 A HN -0.943 7.217 8.150 0.016 0.000 0.408 216 I N 0.672 121.247 120.570 0.007 0.000 2.471 216 I HA -0.121 4.234 4.170 0.045 -0.158 0.286 216 I C -0.965 175.236 176.117 0.139 0.000 1.079 216 I CA 0.886 62.208 61.300 0.037 0.000 1.398 216 I CB 0.552 38.483 38.000 -0.114 0.000 1.403 216 I HN -0.008 8.184 8.210 -0.030 0.000 0.530 217 V N 6.992 127.009 119.914 0.171 0.000 2.540 217 V HA 0.610 4.996 4.120 0.147 -0.178 0.302 217 V C -1.409 174.779 176.094 0.157 0.000 1.035 217 V CA -1.864 60.534 62.300 0.163 0.000 0.873 217 V CB 2.939 34.843 31.823 0.135 0.000 0.992 217 V HN 0.351 8.991 8.190 0.194 -0.334 0.428 218 V N 1.104 121.086 119.914 0.113 0.000 2.735 218 V HA 0.966 5.297 4.120 0.111 -0.144 0.310 218 V C -1.137 175.008 176.094 0.085 0.000 1.061 218 V CA -3.748 58.605 62.300 0.088 0.000 0.913 218 V CB 3.441 35.208 31.823 -0.093 0.000 1.005 218 V HN -0.032 8.229 8.190 0.118 0.000 0.428 219 D N 4.435 124.900 120.400 0.108 0.000 2.399 219 D HA 0.033 4.543 4.640 -0.217 0.000 0.288 219 D C 0.385 176.878 176.300 0.321 0.000 1.197 219 D CA -0.482 53.542 54.000 0.040 0.000 1.081 219 D CB 0.397 41.219 40.800 0.038 0.000 1.139 219 D HN -0.145 8.308 8.370 0.138 0.000 0.554 220 D N -3.816 116.630 120.400 0.076 0.000 2.264 220 D HA -0.205 4.494 4.640 0.099 0.000 0.208 220 D C -0.001 175.951 176.300 -0.580 0.000 0.966 220 D CA 2.792 56.625 54.000 -0.278 0.000 0.864 220 D CB 0.223 40.487 40.800 -0.893 0.000 0.933 220 D HN 0.314 8.662 8.370 -0.036 0.000 0.499 221 Y N -5.117 115.264 120.300 0.135 0.000 2.512 221 Y HA 0.122 4.612 4.550 -0.100 0.000 0.268 221 Y C -1.317 174.666 175.900 0.138 0.000 1.102 221 Y CA 0.315 58.434 58.100 0.031 0.000 1.261 221 Y CB 2.989 41.466 38.460 0.028 0.000 1.250 221 Y HN -0.540 8.049 8.280 0.085 -0.258 0.506 222 R N -4.150 116.563 120.500 0.355 0.000 2.716 222 R HA 0.310 4.803 4.340 0.256 0.000 0.271 222 R C -2.331 174.085 176.300 0.195 0.000 1.028 222 R CA -1.587 54.666 56.100 0.255 0.000 0.883 222 R CB 2.879 33.283 30.300 0.175 0.000 1.250 222 R HN -0.321 8.429 8.270 0.343 -0.275 0.465 223 V N 1.025 121.021 119.914 0.138 0.000 2.585 223 V HA -0.234 4.079 4.120 0.115 -0.125 0.296 223 V C -0.246 175.888 176.094 0.068 0.000 1.035 223 V CA 1.471 63.833 62.300 0.103 0.000 1.084 223 V CB 0.228 32.100 31.823 0.081 0.000 0.953 223 V HN 0.339 8.609 8.190 0.133 0.000 0.483 224 L N 4.970 126.242 121.223 0.083 0.000 2.416 224 L HA -0.007 4.347 4.340 0.023 0.000 0.216 224 L C 0.263 177.023 176.870 -0.183 0.000 1.098 224 L CA 0.266 55.131 54.840 0.042 0.000 0.840 224 L CB 0.125 42.315 42.059 0.218 0.000 0.981 224 L HN 0.228 8.532 8.230 0.123 0.000 0.462 225 N N -0.496 118.103 118.700 -0.167 0.000 2.411 225 N HA -0.137 4.170 4.740 -0.722 0.000 0.265 225 N C 1.143 176.476 175.510 -0.295 0.000 1.266 225 N CA 0.770 53.608 53.050 -0.353 0.000 0.889 225 N CB 0.095 38.498 38.487 -0.140 0.000 1.069 225 N HN -0.514 7.848 8.380 -0.030 0.000 0.476 226 E N 4.204 124.176 120.200 -0.380 0.000 2.108 226 E HA -0.384 3.837 4.350 -0.215 0.000 0.203 226 E C 0.108 176.612 176.600 -0.160 0.000 1.022 226 E CA 2.599 58.854 56.400 -0.241 0.000 0.823 226 E CB 0.171 29.732 29.700 -0.232 0.000 0.744 226 E HN 0.543 8.581 8.360 -0.537 0.000 0.456 227 D N -3.771 116.536 120.400 -0.155 0.000 2.340 227 D HA 0.011 4.586 4.640 -0.107 0.000 0.220 227 D C 0.151 176.383 176.300 -0.113 0.000 1.039 227 D CA -0.236 53.691 54.000 -0.121 0.000 0.866 227 D CB 0.378 41.107 40.800 -0.118 0.000 0.913 227 D HN -0.020 8.233 8.370 -0.175 0.012 0.523 228 G N 0.708 109.441 108.800 -0.112 0.000 2.525 228 G HA2 -0.380 3.535 3.960 -0.076 0.000 0.248 228 G HA3 -0.380 3.532 3.960 -0.081 0.000 0.248 228 G C -1.777 173.050 174.900 -0.122 0.000 1.238 228 G CA -0.382 44.663 45.100 -0.093 0.000 0.926 228 G HN -0.352 7.707 8.290 -0.123 0.157 0.574 229 L N 0.314 121.464 121.223 -0.123 0.000 2.334 229 L HA 0.345 4.653 4.340 -0.209 -0.093 0.275 229 L C 1.149 177.880 176.870 -0.232 0.000 1.036 229 L CA -0.841 53.893 54.840 -0.176 0.000 0.807 229 L CB 1.265 43.242 42.059 -0.136 0.000 1.231 229 L HN 0.057 8.230 8.230 -0.096 0.000 0.438 230 R N 0.054 120.343 120.500 -0.352 0.000 2.148 230 R HA -0.140 3.892 4.340 -0.514 0.000 0.223 230 R C 0.313 176.056 176.300 -0.928 0.000 1.088 230 R CA 2.285 58.000 56.100 -0.643 0.000 0.985 230 R CB 0.759 30.585 30.300 -0.791 0.000 0.880 230 R HN 0.143 8.511 8.270 -0.330 -0.296 0.451 231 F N -5.393 114.490 119.950 -0.111 0.000 2.599 231 F HA 0.280 4.772 4.527 -0.058 0.000 0.311 231 F C 0.012 175.775 175.800 -0.063 0.000 1.076 231 F CA -2.253 55.699 58.000 -0.080 0.000 0.937 231 F CB 2.681 41.623 39.000 -0.096 0.000 1.282 231 F HN -0.876 7.300 8.300 -0.207 0.000 0.460 232 E N 0.615 120.916 120.200 0.169 0.000 2.153 232 E HA -0.259 4.142 4.350 0.084 0.000 0.194 232 E C -0.145 176.537 176.600 0.137 0.000 0.988 232 E CA 2.421 58.890 56.400 0.115 0.000 0.811 232 E CB 0.093 29.854 29.700 0.101 0.000 0.746 232 E HN 0.327 8.802 8.360 0.191 0.000 0.466 233 D N -5.048 115.442 120.400 0.151 0.000 3.035 233 D HA 0.100 4.847 4.640 0.178 0.000 0.290 233 D C -0.561 175.786 176.300 0.078 0.000 1.360 233 D CA -1.711 52.372 54.000 0.140 0.000 0.862 233 D CB -1.878 39.005 40.800 0.139 0.000 1.078 233 D HN -0.142 8.313 8.370 0.169 0.017 0.487 234 E N 1.534 121.770 120.200 0.059 0.000 2.150 234 E HA -0.348 4.070 4.350 0.114 0.000 0.193 234 E C 0.591 177.125 176.600 -0.109 0.000 0.985 234 E CA 3.250 59.648 56.400 -0.004 0.000 0.814 234 E CB 0.082 29.716 29.700 -0.111 0.000 0.752 234 E HN -0.759 7.578 8.360 0.052 0.054 0.466 235 F N -2.661 117.227 119.950 -0.102 0.000 2.051 235 F HA -0.331 4.070 4.527 -0.210 0.000 0.296 235 F C 2.205 178.071 175.800 0.109 0.000 1.122 235 F CA 3.670 61.534 58.000 -0.226 0.000 1.201 235 F CB -0.370 38.151 39.000 -0.798 0.000 0.978 235 F HN -0.291 7.979 8.300 -0.017 0.021 0.472 236 V N -1.159 118.954 119.914 0.332 0.000 2.490 236 V HA -0.565 3.706 4.120 0.252 0.000 0.250 236 V C 1.232 177.309 176.094 -0.029 0.000 1.061 236 V CA 3.322 65.752 62.300 0.216 0.000 1.064 236 V CB -0.133 31.840 31.823 0.249 0.000 0.670 236 V HN -0.090 8.300 8.190 0.334 0.000 0.461 237 R N -1.538 118.878 120.500 -0.139 0.000 2.081 237 R HA -0.437 3.551 4.340 -0.587 0.000 0.235 237 R C 2.198 178.376 176.300 -0.203 0.000 1.131 237 R CA 3.915 59.780 56.100 -0.391 0.000 0.960 237 R CB -0.338 29.624 30.300 -0.563 0.000 0.856 237 R HN -0.661 7.542 8.270 -0.093 0.011 0.436 238 H N -0.320 118.696 119.070 -0.089 0.000 2.423 238 H HA -0.213 4.295 4.556 -0.079 0.000 0.297 238 H C 2.004 177.315 175.328 -0.028 0.000 1.075 238 H CA 3.362 59.397 56.048 -0.021 0.000 1.342 238 H CB 0.009 29.837 29.762 0.110 0.000 1.395 238 H HN -0.321 8.050 8.280 0.152 0.000 0.530 239 K N -1.581 118.800 120.400 -0.031 0.000 2.148 239 K HA -0.263 3.948 4.320 -0.182 0.000 0.204 239 K C 2.236 178.443 176.600 -0.655 0.000 1.050 239 K CA 2.314 58.394 56.287 -0.345 0.000 0.942 239 K CB -0.724 31.469 32.500 -0.512 0.000 0.724 239 K HN -0.425 7.786 8.250 0.086 0.091 0.446 240 M N 0.605 119.892 119.600 -0.521 0.000 2.288 240 M HA -0.203 4.092 4.480 -0.309 0.000 0.266 240 M C 1.443 177.680 176.300 -0.104 0.000 1.072 240 M CA 3.352 58.482 55.300 -0.283 0.000 1.132 240 M CB -0.020 32.526 32.600 -0.090 0.000 1.386 240 M HN -0.651 7.284 8.290 -0.418 0.104 0.432 241 L N 0.348 121.478 121.223 -0.155 0.000 2.046 241 L HA -0.496 3.937 4.340 0.155 0.000 0.208 241 L C 1.300 178.156 176.870 -0.023 0.000 1.077 241 L CA 3.413 58.224 54.840 -0.048 0.000 0.747 241 L CB -0.174 41.745 42.059 -0.233 0.000 0.896 241 L HN -0.342 7.662 8.230 -0.235 0.085 0.432 242 D N -1.669 118.631 120.400 -0.167 0.000 2.144 242 D HA -0.302 4.417 4.640 0.130 0.000 0.200 242 D C 1.925 178.256 176.300 0.053 0.000 0.978 242 D CA 3.162 57.164 54.000 0.004 0.000 0.833 242 D CB -0.469 40.309 40.800 -0.037 0.000 0.961 242 D HN -0.198 7.983 8.370 -0.315 0.000 0.470 243 A N 0.453 123.266 122.820 -0.012 0.000 1.902 243 A HA -0.218 4.129 4.320 0.045 0.000 0.217 243 A C 1.948 179.536 177.584 0.006 0.000 1.181 243 A CA 2.982 55.027 52.037 0.013 0.000 0.623 243 A CB -0.376 18.656 19.000 0.053 0.000 0.818 243 A HN -0.437 7.577 8.150 -0.090 0.083 0.443 244 I N -2.564 118.054 120.570 0.079 0.000 2.226 244 I HA -0.567 3.699 4.170 0.160 0.000 0.245 244 I C 2.038 178.237 176.117 0.138 0.000 1.100 244 I CA 3.818 65.207 61.300 0.149 0.000 1.374 244 I CB -0.292 37.860 38.000 0.253 0.000 1.057 244 I HN -0.182 8.081 8.210 0.090 0.000 0.413 245 G N -0.857 108.034 108.800 0.152 0.000 2.402 245 G HA2 -0.388 3.680 3.960 0.181 0.000 0.216 245 G HA3 -0.388 3.830 3.960 0.178 -0.152 0.216 245 G C 0.163 175.157 174.900 0.156 0.000 1.162 245 G CA 1.966 47.168 45.100 0.170 0.000 0.777 245 G HN -0.433 7.950 8.290 0.155 0.000 0.539 246 D N 1.683 122.168 120.400 0.141 0.000 2.084 246 D HA -0.142 4.566 4.640 0.113 0.000 0.194 246 D C 2.949 179.304 176.300 0.090 0.000 0.990 246 D CA 2.813 56.887 54.000 0.124 0.000 0.826 246 D CB -0.172 40.720 40.800 0.152 0.000 0.971 246 D HN -0.341 8.115 8.370 0.144 0.000 0.453 247 L N -1.026 120.248 121.223 0.084 0.000 2.131 247 L HA -0.328 4.056 4.340 0.073 0.000 0.210 247 L C 1.554 178.475 176.870 0.084 0.000 1.092 247 L CA 2.633 57.521 54.840 0.080 0.000 0.759 247 L CB -0.142 41.971 42.059 0.091 0.000 0.903 247 L HN -0.273 8.000 8.230 0.072 0.000 0.435 248 F N -1.416 118.501 119.950 -0.056 0.000 2.802 248 F HA -0.001 4.447 4.527 -0.131 0.000 0.300 248 F C 1.133 176.892 175.800 -0.068 0.000 1.168 248 F CA -0.445 57.500 58.000 -0.092 0.000 1.433 248 F CB -0.029 38.916 39.000 -0.092 0.000 1.115 248 F HN -0.568 7.882 8.300 0.249 0.000 0.582 249 M N 0.076 119.627 119.600 -0.081 0.000 2.549 249 M HA -0.271 4.132 4.480 -0.129 0.000 0.260 249 M C 0.573 176.748 176.300 -0.208 0.000 1.076 249 M CA 0.751 55.973 55.300 -0.129 0.000 1.090 249 M CB -1.371 31.199 32.600 -0.050 0.000 1.418 249 M HN -0.449 7.662 8.290 0.001 0.180 0.486 250 C N -6.776 112.378 119.300 -0.244 0.000 2.618 250 C HA 0.020 4.378 4.460 -0.169 0.000 0.264 250 C C 1.111 175.896 174.990 -0.342 0.000 1.334 250 C CA -0.434 58.451 59.018 -0.221 0.000 1.731 250 C CB 0.405 28.039 27.740 -0.177 0.000 1.852 250 C HN -0.636 7.415 8.230 -0.225 0.044 0.566 251 G N 1.662 110.040 108.800 -0.703 0.000 2.162 251 G HA2 -0.387 2.752 3.960 -1.368 0.000 0.260 251 G HA3 -0.387 3.105 3.960 -0.780 0.000 0.260 251 G C -1.363 172.915 174.900 -1.037 0.000 0.976 251 G CA 0.518 45.014 45.100 -1.008 0.000 0.655 251 G HN -0.219 7.407 8.290 -0.833 0.164 0.533 252 H N -0.203 118.593 119.070 -0.456 0.000 2.717 252 H HA 0.261 4.679 4.556 -0.230 0.000 0.366 252 H C -1.767 173.465 175.328 -0.160 0.000 1.132 252 H CA -1.242 54.657 56.048 -0.247 0.000 1.180 252 H CB 3.412 33.064 29.762 -0.183 0.000 1.678 252 H HN -0.808 7.181 8.280 -0.403 0.049 0.537 253 N N 1.062 119.662 118.700 -0.167 0.000 2.492 253 N HA -0.036 4.507 4.740 -0.329 0.000 0.262 253 N C -1.061 174.238 175.510 -0.352 0.000 1.202 253 N CA 0.861 53.656 53.050 -0.424 0.000 0.926 253 N CB 0.595 38.509 38.487 -0.956 0.000 1.078 253 N HN 0.193 8.400 8.380 -0.289 0.000 0.454 254 I N 1.554 121.881 120.570 -0.404 0.000 2.359 254 I HA 0.213 4.441 4.170 -0.181 -0.167 0.294 254 I C -0.199 175.904 176.117 -0.023 0.000 0.987 254 I CA -0.822 60.316 61.300 -0.271 0.000 1.225 254 I CB 1.719 39.475 38.000 -0.407 0.000 1.366 254 I HN 0.163 8.032 8.210 -0.569 0.000 0.466 255 I N 6.655 127.327 120.570 0.170 0.000 2.291 255 I HA 0.193 4.827 4.170 0.590 -0.111 0.290 255 I C -1.128 175.208 176.117 0.365 0.000 1.050 255 I CA -0.623 60.913 61.300 0.393 0.000 1.245 255 I CB 0.045 38.250 38.000 0.342 0.000 1.405 255 I HN 0.320 8.595 8.210 0.108 0.000 0.478 256 G N 6.195 115.363 108.800 0.613 0.000 2.321 256 G HA2 0.301 4.769 3.960 0.623 0.000 0.296 256 G HA3 0.301 4.621 3.960 0.601 0.000 0.296 256 G C -3.419 171.992 174.900 0.852 0.000 1.287 256 G CA 0.807 46.319 45.100 0.688 0.000 0.846 256 G HN 0.212 8.970 8.290 0.780 0.000 0.508 257 A N -0.769 122.437 122.820 0.643 0.000 2.267 257 A HA 0.758 5.183 4.320 0.175 0.000 0.315 257 A C -2.219 175.475 177.584 0.183 0.000 1.297 257 A CA -2.170 50.026 52.037 0.265 0.000 0.865 257 A CB 2.044 21.041 19.000 -0.006 0.000 1.165 257 A HN 0.220 8.751 8.150 0.634 0.000 0.513 258 F N 7.739 127.599 119.950 -0.149 0.000 2.404 258 F HA 0.575 4.768 4.527 -0.817 -0.156 0.345 258 F C -1.613 174.036 175.800 -0.252 0.000 1.110 258 F CA -0.892 56.810 58.000 -0.496 0.000 1.130 258 F CB 2.916 41.623 39.000 -0.487 0.000 1.129 258 F HN 0.528 8.949 8.300 0.201 0.000 0.500 259 T N 9.871 123.863 114.554 -0.937 0.000 2.921 259 T HA 0.430 4.584 4.350 -0.574 -0.148 0.297 259 T C -2.180 171.878 174.700 -1.070 0.000 1.013 259 T CA -0.542 61.141 62.100 -0.694 0.000 0.990 259 T CB 2.783 71.542 68.868 -0.180 0.000 1.023 259 T HN 0.257 7.872 8.240 -1.043 0.000 0.447 260 A N 5.238 127.404 122.820 -1.091 0.000 2.488 260 A HA 0.611 4.291 4.320 -1.307 -0.144 0.298 260 A C -3.237 173.603 177.584 -1.240 0.000 1.044 260 A CA -1.004 50.280 52.037 -1.255 0.000 0.693 260 A CB 3.744 22.071 19.000 -1.121 0.000 1.272 260 A HN 0.560 8.195 8.150 -0.858 0.000 0.402 261 Y N 3.925 123.277 120.300 -1.579 0.000 2.326 261 Y HA 0.305 4.455 4.550 -0.875 -0.124 0.331 261 Y C -0.726 174.727 175.900 -0.745 0.000 0.962 261 Y CA -2.251 55.166 58.100 -1.139 0.000 1.167 261 Y CB 2.891 40.576 38.460 -1.291 0.000 1.148 261 Y HN 0.434 7.775 8.280 -1.564 0.000 0.463 262 K N 6.213 126.014 120.400 -0.998 0.000 3.077 262 K HA -0.513 3.453 4.320 -0.589 0.000 0.264 262 K C -1.418 174.905 176.600 -0.462 0.000 1.008 262 K CA 1.393 57.246 56.287 -0.724 0.000 0.740 262 K CB -2.373 29.634 32.500 -0.821 0.000 1.273 262 K HN 0.836 8.431 8.250 -0.914 0.106 0.477 263 S N -2.578 112.818 115.700 -0.507 0.000 2.652 263 S HA 0.033 4.384 4.470 -0.199 0.000 0.270 263 S C -0.725 173.894 174.600 0.032 0.000 1.243 263 S CA -0.381 57.667 58.200 -0.254 0.000 0.999 263 S CB 1.623 64.631 63.200 -0.320 0.000 0.973 263 S HN -0.425 7.423 8.310 -0.770 0.000 0.544 264 G N -0.546 108.286 108.800 0.053 0.000 2.682 264 G HA2 0.208 4.177 3.960 0.014 0.000 0.303 264 G HA3 0.208 4.162 3.960 -0.011 0.000 0.303 264 G C -0.394 174.514 174.900 0.014 0.000 1.341 264 G CA -0.991 44.117 45.100 0.014 0.000 0.784 264 G HN -0.218 8.094 8.290 0.037 0.000 0.497 265 H N 0.850 119.986 119.070 0.110 0.000 2.289 265 H HA -0.331 4.487 4.556 0.087 -0.210 0.294 265 H C 2.335 177.706 175.328 0.072 0.000 1.095 265 H CA 4.185 60.282 56.048 0.081 0.000 1.256 265 H CB -0.130 29.663 29.762 0.050 0.000 1.359 265 H HN 0.466 8.548 8.280 -0.329 0.000 0.487 266 A N -1.497 121.433 122.820 0.183 0.000 1.883 266 A HA -0.282 4.107 4.320 0.114 0.000 0.217 266 A C 2.282 179.929 177.584 0.105 0.000 1.186 266 A CA 2.907 55.015 52.037 0.120 0.000 0.624 266 A CB -0.852 18.202 19.000 0.091 0.000 0.822 266 A HN -0.055 8.203 8.150 0.181 0.000 0.444 267 L N -2.073 119.208 121.223 0.097 0.000 2.131 267 L HA -0.215 4.179 4.340 0.090 0.000 0.206 267 L C 1.806 178.758 176.870 0.137 0.000 1.087 267 L CA 2.412 57.308 54.840 0.093 0.000 0.767 267 L CB -0.241 41.849 42.059 0.051 0.000 0.917 267 L HN -0.674 7.610 8.230 0.089 0.000 0.441 268 N N -0.069 118.730 118.700 0.165 0.000 2.069 268 N HA -0.396 4.520 4.740 0.293 0.000 0.191 268 N C 2.133 177.751 175.510 0.180 0.000 1.031 268 N CA 3.436 56.616 53.050 0.217 0.000 0.852 268 N CB -0.711 37.892 38.487 0.192 0.000 1.018 268 N HN 0.279 8.750 8.380 0.152 0.000 0.423 269 N N 0.069 118.854 118.700 0.141 0.000 2.188 269 N HA -0.309 4.489 4.740 0.097 0.000 0.184 269 N C 1.355 176.923 175.510 0.098 0.000 1.018 269 N CA 3.184 56.297 53.050 0.105 0.000 0.858 269 N CB 0.170 38.708 38.487 0.085 0.000 0.989 269 N HN -0.324 8.142 8.380 0.143 0.000 0.426 270 K N 0.300 120.763 120.400 0.105 0.000 2.097 270 K HA -0.287 4.081 4.320 0.079 0.000 0.206 270 K C 2.356 179.025 176.600 0.115 0.000 1.049 270 K CA 3.017 59.361 56.287 0.095 0.000 0.933 270 K CB -0.112 32.442 32.500 0.091 0.000 0.717 270 K HN -0.651 7.578 8.250 0.111 0.087 0.442 271 L N -0.063 121.255 121.223 0.157 0.000 2.017 271 L HA -0.271 4.180 4.340 0.185 0.000 0.208 271 L C 1.249 178.232 176.870 0.188 0.000 1.073 271 L CA 3.005 57.968 54.840 0.205 0.000 0.745 271 L CB -0.487 41.751 42.059 0.298 0.000 0.894 271 L HN -0.370 7.961 8.230 0.168 0.000 0.432 272 L N -1.433 119.892 121.223 0.169 0.000 2.013 272 L HA -0.469 3.928 4.340 0.094 0.000 0.212 272 L C 1.596 178.468 176.870 0.003 0.000 1.073 272 L CA 3.515 58.406 54.840 0.085 0.000 0.753 272 L CB -0.504 41.590 42.059 0.059 0.000 0.890 272 L HN -0.456 7.881 8.230 0.178 0.000 0.432 273 Q N -2.520 117.294 119.800 0.025 0.000 2.119 273 Q HA -0.395 3.932 4.340 -0.022 0.000 0.201 273 Q C 2.419 178.433 176.000 0.024 0.000 0.972 273 Q CA 3.135 58.942 55.803 0.008 0.000 0.847 273 Q CB -0.165 28.588 28.738 0.025 0.000 0.903 273 Q HN -0.201 8.097 8.270 0.048 0.000 0.433 274 A N 0.046 122.899 122.820 0.056 0.000 1.902 274 A HA -0.257 4.104 4.320 0.068 0.000 0.217 274 A C 2.151 179.779 177.584 0.074 0.000 1.181 274 A CA 3.069 55.150 52.037 0.073 0.000 0.623 274 A CB -0.785 18.272 19.000 0.096 0.000 0.818 274 A HN -0.523 7.670 8.150 0.071 0.000 0.443 275 V N -1.374 118.570 119.914 0.051 0.000 2.295 275 V HA -0.495 3.678 4.120 0.089 0.000 0.246 275 V C 2.419 178.472 176.094 -0.068 0.000 1.049 275 V CA 4.135 66.442 62.300 0.012 0.000 1.024 275 V CB -0.049 31.732 31.823 -0.070 0.000 0.648 275 V HN -0.302 7.923 8.190 0.057 0.000 0.447 276 L N -2.550 118.551 121.223 -0.204 0.000 2.275 276 L HA -0.252 3.679 4.340 -0.682 0.000 0.215 276 L C 2.091 179.056 176.870 0.157 0.000 1.119 276 L CA 2.131 56.813 54.840 -0.263 0.000 0.790 276 L CB -0.785 41.095 42.059 -0.298 0.000 0.919 276 L HN -0.534 7.593 8.230 -0.172 0.000 0.443 277 A N -2.000 120.890 122.820 0.116 0.000 2.016 277 A HA -0.126 4.270 4.320 0.127 0.000 0.217 277 A C -0.528 177.151 177.584 0.159 0.000 1.162 277 A CA 1.478 53.592 52.037 0.128 0.000 0.662 277 A CB -0.039 19.009 19.000 0.079 0.000 0.812 277 A HN -0.378 7.783 8.150 0.070 0.031 0.450 278 K N -0.726 119.791 120.400 0.196 0.000 2.263 278 K HA 0.050 4.431 4.320 0.103 0.000 0.282 278 K C 0.562 177.257 176.600 0.159 0.000 1.089 278 K CA -0.838 55.542 56.287 0.155 0.000 0.907 278 K CB -0.271 32.310 32.500 0.134 0.000 1.148 278 K HN -0.727 7.648 8.250 0.208 0.000 0.470 279 Q N 7.060 126.875 119.800 0.025 0.000 2.096 279 Q HA -0.401 3.777 4.340 -0.270 0.000 0.204 279 Q C 1.283 177.107 176.000 -0.295 0.000 0.982 279 Q CA 4.058 59.754 55.803 -0.177 0.000 0.850 279 Q CB 0.083 28.736 28.738 -0.141 0.000 0.901 279 Q HN 0.596 8.882 8.270 0.026 0.000 0.422 280 E N -2.041 118.081 120.200 -0.131 0.000 2.427 280 E HA -0.216 4.036 4.350 -0.163 0.000 0.196 280 E C 0.227 176.788 176.600 -0.065 0.000 1.028 280 E CA 1.740 58.071 56.400 -0.115 0.000 0.864 280 E CB -0.925 28.743 29.700 -0.053 0.000 0.813 280 E HN 0.267 8.573 8.360 -0.068 0.013 0.514 281 A N -2.081 120.753 122.820 0.023 0.000 2.206 281 A HA 0.015 4.496 4.320 0.099 -0.102 0.211 281 A C -1.254 176.468 177.584 0.230 0.000 1.158 281 A CA 0.704 52.826 52.037 0.141 0.000 0.761 281 A CB 0.433 19.559 19.000 0.210 0.000 0.801 281 A HN -0.173 7.837 8.150 0.044 0.166 0.473 282 W N -6.727 114.525 121.300 -0.079 0.000 2.826 282 W HA 0.746 5.492 4.660 -0.095 -0.143 0.410 282 W C -2.684 173.743 176.519 -0.153 0.000 1.128 282 W CA -1.245 56.027 57.345 -0.121 0.000 1.176 282 W CB 2.073 31.429 29.460 -0.175 0.000 1.475 282 W HN -0.790 7.219 8.180 -0.198 0.053 0.588 283 E N -4.796 115.397 120.200 -0.012 0.000 2.401 283 E HA 0.173 4.080 4.350 -0.739 0.000 0.283 283 E C -2.795 173.805 176.600 -0.000 0.000 1.053 283 E CA -0.945 55.283 56.400 -0.287 0.000 0.842 283 E CB 2.681 32.261 29.700 -0.200 0.000 1.222 283 E HN -0.322 8.229 8.360 0.318 0.000 0.429 284 Y N 1.084 121.406 120.300 0.036 0.000 2.411 284 Y HA 0.726 5.572 4.550 0.103 -0.234 0.333 284 Y C 0.996 176.880 175.900 -0.027 0.000 1.186 284 Y CA 0.095 58.224 58.100 0.048 0.000 1.381 284 Y CB 0.912 39.368 38.460 -0.006 0.000 1.273 284 Y HN 0.220 8.429 8.280 -0.119 0.000 0.546 285 V N -1.033 118.973 119.914 0.154 0.000 2.971 285 V HA 0.616 4.685 4.120 -0.085 0.000 0.309 285 V C -1.814 174.205 176.094 -0.125 0.000 1.130 285 V CA -2.388 59.870 62.300 -0.071 0.000 0.964 285 V CB 3.798 35.491 31.823 -0.217 0.000 1.029 285 V HN 0.201 8.532 8.190 0.235 0.000 0.427 286 T N -1.164 113.223 114.554 -0.280 0.000 2.916 286 T HA 0.501 4.836 4.350 -0.024 0.000 0.292 286 T C -0.508 173.909 174.700 -0.471 0.000 1.055 286 T CA -1.764 60.215 62.100 -0.202 0.000 1.009 286 T CB 2.674 71.523 68.868 -0.032 0.000 1.118 286 T HN -0.192 7.877 8.240 -0.286 0.000 0.497 287 F N 2.957 122.950 119.950 0.072 0.000 2.366 287 F HA 0.300 4.833 4.527 0.009 0.000 0.366 287 F C 0.024 175.848 175.800 0.041 0.000 1.096 287 F CA -1.361 56.655 58.000 0.026 0.000 1.060 287 F CB 0.301 39.293 39.000 -0.012 0.000 1.282 287 F HN 0.440 8.886 8.300 0.244 0.000 0.450 288 Q N 3.140 123.026 119.800 0.142 0.000 2.016 288 Q HA -0.252 4.146 4.340 0.098 0.000 0.200 288 Q C 0.234 176.305 176.000 0.118 0.000 0.978 288 Q CA 1.801 57.666 55.803 0.104 0.000 0.833 288 Q CB 0.248 29.021 28.738 0.058 0.000 0.895 288 Q HN 0.390 8.713 8.270 0.088 0.000 0.427 289 D N -1.054 119.423 120.400 0.130 0.000 2.339 289 D HA -0.024 4.664 4.640 0.081 0.000 0.256 289 D C 0.465 176.837 176.300 0.119 0.000 1.214 289 D CA 0.255 54.320 54.000 0.108 0.000 0.877 289 D CB 0.779 41.635 40.800 0.094 0.000 1.111 289 D HN -0.276 8.175 8.370 0.134 0.000 0.478 290 D N 7.487 127.931 120.400 0.074 0.000 2.219 290 D HA -0.193 4.477 4.640 0.050 0.000 0.205 290 D C 1.235 177.519 176.300 -0.027 0.000 0.970 290 D CA 2.760 56.782 54.000 0.037 0.000 0.851 290 D CB -0.207 40.616 40.800 0.038 0.000 0.943 290 D HN 0.458 8.867 8.370 0.065 0.000 0.488 291 A N -0.828 121.987 122.820 -0.008 0.000 2.067 291 A HA -0.157 4.139 4.320 -0.040 0.000 0.217 291 A C 1.203 178.751 177.584 -0.060 0.000 1.156 291 A CA 2.162 54.181 52.037 -0.029 0.000 0.683 291 A CB -0.403 18.595 19.000 -0.004 0.000 0.808 291 A HN -0.380 8.028 8.150 0.016 -0.248 0.455 292 E N -2.909 117.270 120.200 -0.035 0.000 2.338 292 E HA -0.248 4.099 4.350 -0.006 0.000 0.197 292 E C 0.023 176.422 176.600 -0.334 0.000 1.007 292 E CA 0.390 56.776 56.400 -0.024 0.000 0.849 292 E CB -0.008 29.826 29.700 0.223 0.000 0.774 292 E HN -0.683 7.663 8.360 0.015 0.022 0.506 293 L N 1.401 122.274 121.223 -0.583 0.000 2.540 293 L HA -0.045 3.118 4.340 -1.962 0.000 0.276 293 L C -2.124 174.448 176.870 -0.496 0.000 1.212 293 L CA -1.487 52.770 54.840 -0.972 0.000 0.893 293 L CB 0.377 42.093 42.059 -0.572 0.000 1.138 293 L HN -0.990 6.848 8.230 -0.388 0.159 0.491 294 P HA 0.059 4.388 4.420 -0.152 0.000 0.272 294 P C 0.674 177.911 177.300 -0.104 0.000 1.223 294 P CA -0.077 62.922 63.100 -0.167 0.000 0.784 294 P CB 0.738 32.407 31.700 -0.052 0.000 0.923 295 L N 3.462 124.637 121.223 -0.079 0.000 1.997 295 L HA -0.498 3.819 4.340 -0.040 0.000 0.216 295 L C 2.108 178.950 176.870 -0.047 0.000 1.074 295 L CA 3.935 58.747 54.840 -0.048 0.000 0.763 295 L CB -0.137 41.905 42.059 -0.029 0.000 0.890 295 L HN 0.640 8.823 8.230 -0.078 0.000 0.434 296 A N -3.165 119.584 122.820 -0.118 0.000 1.986 296 A HA -0.243 4.223 4.320 -0.058 -0.181 0.220 296 A C 0.829 178.325 177.584 -0.147 0.000 1.171 296 A CA 2.431 54.349 52.037 -0.197 0.000 0.640 296 A CB -0.316 18.430 19.000 -0.424 0.000 0.811 296 A HN 0.157 8.223 8.150 -0.127 0.008 0.451 297 F N -5.710 114.380 119.950 0.234 0.000 2.750 297 F HA 0.174 4.912 4.527 0.352 0.000 0.297 297 F C -0.211 175.685 175.800 0.160 0.000 1.138 297 F CA -0.912 57.246 58.000 0.264 0.000 1.346 297 F CB -0.770 38.434 39.000 0.341 0.000 0.965 297 F HN -0.816 7.462 8.300 0.014 0.031 0.514 298 K N 0.798 121.319 120.400 0.202 0.000 2.202 298 K HA 0.059 4.455 4.320 0.127 0.000 0.264 298 K C -0.168 176.511 176.600 0.133 0.000 1.010 298 K CA -0.544 55.820 56.287 0.128 0.000 0.940 298 K CB 0.601 33.135 32.500 0.057 0.000 0.983 298 K HN -0.742 7.593 8.250 0.141 0.000 0.475 299 A N 2.584 125.468 122.820 0.106 0.000 2.536 299 A HA -0.011 4.371 4.320 0.103 0.000 0.234 299 A C -1.018 176.605 177.584 0.064 0.000 1.076 299 A CA -0.898 51.192 52.037 0.088 0.000 0.769 299 A CB -1.127 17.915 19.000 0.070 0.000 1.020 299 A HN 0.197 8.405 8.150 0.096 0.000 0.508 300 P HA 0.000 4.438 4.420 0.030 0.000 0.216 300 P CA 0.000 63.121 63.100 0.036 0.000 0.800 300 P CB 0.000 31.720 31.700 0.034 0.000 0.726