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 2vg4_1_B DATA FIRST_RESID 13 DATA SEQUENCE FPQLPPAPDD YPTFPDTSTW PVVFPELPAA PYGGPCRPPQ HTSKAAAPRI DATA SEQUENCE PADRLPNHVA IVMDGNGRWA TQRGLARTEG HKMGEAVVID IACGAIELGI DATA SEQUENCE KWLSLYAFST ENWKRSPEEV RFLMGFNRDV VRRRRDTLKK LGVRIRWVGS DATA SEQUENCE RPRLWRSVIN ELAVAEEMTK SNDVITINYC VNYGGRTEIT EATREIAREV DATA SEQUENCE AAGRLNPERI TESTIARHLQ RPDIPDVDLF LRTSGEQRSS NFMLWQAAYA DATA SEQUENCE EYIFQDKLWP DYDRRDLWAA CEEYASRTRR FGSA 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 13 F HA 0.000 4.515 4.527 -0.020 0.000 0.279 13 F C 0.000 175.787 175.800 -0.022 0.000 0.967 13 F CA 0.000 57.987 58.000 -0.022 0.000 1.383 13 F CB 0.000 38.982 39.000 -0.030 0.000 1.145 14 P HA 0.022 4.487 4.420 0.075 0.000 0.235 14 P C -0.791 176.526 177.300 0.027 0.000 1.177 14 P CA -0.104 63.047 63.100 0.084 0.000 0.785 14 P CB 0.594 32.341 31.700 0.079 0.000 0.885 15 Q N -1.045 118.739 119.800 -0.026 0.000 2.300 15 Q HA -0.156 4.381 4.340 -0.070 -0.238 0.280 15 Q C 0.098 176.055 176.000 -0.071 0.000 1.033 15 Q CA 0.540 56.288 55.803 -0.093 0.000 0.903 15 Q CB 0.073 28.678 28.738 -0.221 0.000 1.195 15 Q HN -0.240 7.970 8.270 -0.035 0.039 0.386 16 L N 6.683 127.874 121.223 -0.053 0.000 2.361 16 L HA 0.155 4.470 4.340 -0.042 0.000 0.278 16 L C -1.136 175.688 176.870 -0.075 0.000 1.113 16 L CA -1.397 53.414 54.840 -0.047 0.000 0.849 16 L CB -0.432 41.614 42.059 -0.023 0.000 1.155 16 L HN -0.249 7.957 8.230 -0.039 0.000 0.452 17 P HA 0.000 4.365 4.420 -0.092 0.000 0.271 17 P C -2.344 174.906 177.300 -0.083 0.000 1.212 17 P CA -0.775 62.276 63.100 -0.083 0.000 0.788 17 P CB -0.472 31.189 31.700 -0.065 0.000 0.865 18 P HA -0.150 4.242 4.420 -0.046 0.000 0.260 18 P C -1.046 176.227 177.300 -0.045 0.000 1.185 18 P CA 0.647 63.716 63.100 -0.052 0.000 0.763 18 P CB 0.069 31.741 31.700 -0.046 0.000 0.776 19 A N 5.411 128.211 122.820 -0.033 0.000 2.386 19 A HA 0.078 4.315 4.320 -0.137 0.000 0.246 19 A C -1.356 176.211 177.584 -0.027 0.000 1.089 19 A CA -1.323 50.670 52.037 -0.074 0.000 0.790 19 A CB -0.634 18.329 19.000 -0.061 0.000 1.042 19 A HN -0.119 8.028 8.150 -0.005 0.000 0.497 20 P HA -0.032 4.398 4.420 0.018 0.000 0.270 20 P C -1.310 176.037 177.300 0.078 0.000 1.221 20 P CA -0.283 62.836 63.100 0.032 0.000 0.788 20 P CB 0.840 32.582 31.700 0.071 0.000 0.904 21 D N -3.221 117.218 120.400 0.065 0.000 2.194 21 D HA -0.231 4.447 4.640 0.063 0.000 0.204 21 D C 0.777 177.122 176.300 0.075 0.000 0.964 21 D CA 2.619 56.656 54.000 0.062 0.000 0.846 21 D CB 0.471 41.296 40.800 0.041 0.000 0.962 21 D HN 0.175 8.576 8.370 0.052 0.000 0.490 22 D N -4.195 116.255 120.400 0.084 0.000 2.340 22 D HA -0.222 4.445 4.640 0.045 0.000 0.220 22 D C -0.392 175.965 176.300 0.094 0.000 1.039 22 D CA 0.059 54.100 54.000 0.069 0.000 0.866 22 D CB -0.832 39.999 40.800 0.052 0.000 0.913 22 D HN -0.026 8.395 8.370 0.085 0.000 0.523 23 Y N 2.437 122.737 120.300 -0.000 0.000 2.426 23 Y HA -0.103 4.442 4.550 -0.010 0.000 0.344 23 Y C -2.049 173.843 175.900 -0.014 0.000 1.256 23 Y CA -0.691 57.406 58.100 -0.005 0.000 1.451 23 Y CB 0.343 38.807 38.460 0.007 0.000 1.342 23 Y HN -0.967 7.412 8.280 0.258 0.056 0.600 24 P HA 0.140 4.452 4.420 -0.181 0.000 0.274 24 P C -1.764 175.480 177.300 -0.093 0.000 1.237 24 P CA -0.278 62.658 63.100 -0.272 0.000 0.793 24 P CB 1.036 32.474 31.700 -0.436 0.000 0.977 25 T N -4.200 110.322 114.554 -0.053 0.000 2.889 25 T HA 0.798 5.402 4.350 0.065 -0.216 0.278 25 T C -0.725 174.024 174.700 0.081 0.000 0.995 25 T CA -2.114 59.994 62.100 0.013 0.000 0.966 25 T CB 3.093 71.939 68.868 -0.037 0.000 1.237 25 T HN -0.236 7.958 8.240 -0.077 0.000 0.591 26 F N -2.241 117.637 119.950 -0.120 0.000 2.714 26 F HA 0.264 4.731 4.527 -0.101 0.000 0.313 26 F C -3.403 172.315 175.800 -0.136 0.000 1.104 26 F CA -1.237 56.706 58.000 -0.095 0.000 1.005 26 F CB 3.409 42.397 39.000 -0.019 0.000 1.268 26 F HN -0.455 7.864 8.300 0.032 0.000 0.449 27 P HA 0.264 3.244 4.420 -2.401 0.000 0.296 27 P C -2.509 174.418 177.300 -0.622 0.000 1.310 27 P CA -0.956 61.300 63.100 -1.407 0.000 0.900 27 P CB 1.805 32.711 31.700 -1.322 0.000 1.111 28 D N 0.372 120.491 120.400 -0.468 0.000 2.411 28 D HA 0.167 4.684 4.640 -0.207 0.000 0.225 28 D C 0.587 176.784 176.300 -0.173 0.000 1.156 28 D CA -1.369 52.492 54.000 -0.231 0.000 0.874 28 D CB 0.643 41.363 40.800 -0.132 0.000 1.034 28 D HN 0.405 8.476 8.370 -0.499 0.000 0.502 29 T N 2.749 117.221 114.554 -0.135 0.000 3.317 29 T HA -0.003 4.318 4.350 -0.048 0.000 0.250 29 T C 0.541 175.249 174.700 0.013 0.000 1.106 29 T CA 0.462 62.529 62.100 -0.054 0.000 0.986 29 T CB -0.464 68.379 68.868 -0.042 0.000 1.010 29 T HN 0.264 8.419 8.240 -0.140 0.000 0.560 30 S N 1.307 117.006 115.700 -0.002 0.000 2.522 30 S HA -0.028 4.460 4.470 0.030 0.000 0.227 30 S C -0.430 174.204 174.600 0.057 0.000 0.986 30 S CA 1.127 59.341 58.200 0.023 0.000 0.929 30 S CB 0.557 63.758 63.200 0.002 0.000 0.769 30 S HN -0.134 8.237 8.310 -0.030 -0.079 0.529 31 T N -1.628 112.970 114.554 0.074 0.000 2.838 31 T HA 0.172 4.603 4.350 0.136 0.000 0.292 31 T C -2.115 172.717 174.700 0.220 0.000 1.113 31 T CA -0.655 61.519 62.100 0.122 0.000 1.008 31 T CB 1.642 70.555 68.868 0.076 0.000 1.259 31 T HN -0.792 7.440 8.240 0.054 0.041 0.520 32 W N 0.250 121.577 121.300 0.045 0.000 3.042 32 W HA 0.377 5.153 4.660 0.072 -0.073 0.337 32 W C -1.905 174.662 176.519 0.080 0.000 1.086 32 W CA -1.261 56.125 57.345 0.068 0.000 1.236 32 W CB 1.655 31.159 29.460 0.073 0.000 1.381 32 W HN 0.065 8.422 8.180 0.294 0.000 0.472 33 P HA 0.002 3.382 4.420 -1.733 0.000 0.272 33 P C -1.714 175.403 177.300 -0.304 0.000 1.240 33 P CA -0.528 62.034 63.100 -0.896 0.000 0.791 33 P CB 0.752 31.997 31.700 -0.757 0.000 0.978 34 V N 0.519 120.299 119.914 -0.224 0.000 2.521 34 V HA 0.002 4.100 4.120 -0.037 0.000 0.286 34 V C 0.137 176.263 176.094 0.052 0.000 1.034 34 V CA -0.570 61.699 62.300 -0.053 0.000 1.045 34 V CB -0.165 31.604 31.823 -0.089 0.000 0.974 34 V HN 0.024 8.039 8.190 -0.293 0.000 0.480 35 V N 8.669 128.619 119.914 0.060 0.000 2.901 35 V HA -0.262 3.917 4.120 0.099 0.000 0.307 35 V C -1.072 175.186 176.094 0.273 0.000 1.084 35 V CA 1.943 64.311 62.300 0.113 0.000 1.184 35 V CB 0.144 32.000 31.823 0.054 0.000 0.941 35 V HN 0.184 8.391 8.190 0.027 0.000 0.493 36 F N 6.618 126.626 119.950 0.098 0.000 2.404 36 F HA 0.274 4.932 4.527 0.219 0.000 0.354 36 F C -1.489 174.326 175.800 0.024 0.000 1.122 36 F CA -4.181 53.872 58.000 0.088 0.000 1.080 36 F CB 1.797 40.771 39.000 -0.043 0.000 1.131 36 F HN -0.146 8.332 8.300 0.296 0.000 0.471 37 P HA -0.075 4.215 4.420 -0.217 0.000 0.267 37 P C -1.793 175.280 177.300 -0.379 0.000 1.200 37 P CA -0.362 62.504 63.100 -0.390 0.000 0.772 37 P CB 0.633 32.079 31.700 -0.424 0.000 0.855 38 E N 0.468 120.549 120.200 -0.199 0.000 2.324 38 E HA -0.083 4.221 4.350 -0.078 0.000 0.271 38 E C -0.546 175.945 176.600 -0.182 0.000 1.028 38 E CA 0.169 56.492 56.400 -0.128 0.000 0.890 38 E CB -0.118 29.536 29.700 -0.076 0.000 1.004 38 E HN 0.179 8.441 8.360 -0.163 0.000 0.431 39 L N 5.643 126.789 121.223 -0.128 0.000 2.322 39 L HA 0.341 4.532 4.340 -0.248 0.000 0.279 39 L C -1.061 175.782 176.870 -0.045 0.000 1.036 39 L CA -2.458 52.303 54.840 -0.132 0.000 0.807 39 L CB 0.144 42.178 42.059 -0.042 0.000 1.226 39 L HN 0.082 8.274 8.230 -0.063 0.000 0.433 40 P HA -0.028 4.392 4.420 0.001 0.000 0.274 40 P C -1.520 175.811 177.300 0.052 0.000 1.264 40 P CA -0.532 62.582 63.100 0.024 0.000 0.795 40 P CB 0.514 32.256 31.700 0.070 0.000 1.064 41 A N -1.049 121.797 122.820 0.044 0.000 2.371 41 A HA -0.036 4.306 4.320 0.037 0.000 0.257 41 A C 0.283 177.901 177.584 0.057 0.000 1.089 41 A CA -0.202 51.859 52.037 0.040 0.000 0.794 41 A CB 0.605 19.617 19.000 0.020 0.000 1.029 41 A HN -0.060 8.112 8.150 0.037 0.000 0.488 42 A N 1.861 124.714 122.820 0.056 0.000 2.522 42 A HA 0.088 4.456 4.320 0.079 0.000 0.256 42 A C -1.182 176.448 177.584 0.078 0.000 1.086 42 A CA -1.886 50.192 52.037 0.070 0.000 0.763 42 A CB -0.243 18.796 19.000 0.064 0.000 1.024 42 A HN 0.115 8.293 8.150 0.047 0.000 0.502 43 P HA -0.103 4.371 4.420 0.089 0.000 0.258 43 P C -1.472 176.014 177.300 0.310 0.000 1.563 43 P CA 0.556 63.745 63.100 0.149 0.000 1.241 43 P CB -2.099 29.694 31.700 0.155 0.000 1.811 44 Y N 1.869 122.176 120.300 0.012 0.000 2.692 44 Y HA -0.293 4.262 4.550 0.008 0.000 0.468 44 Y C -0.470 175.435 175.900 0.008 0.000 1.379 44 Y CA 0.380 58.485 58.100 0.008 0.000 2.286 44 Y CB -0.769 37.694 38.460 0.006 0.000 1.142 44 Y HN -0.022 8.257 8.280 0.033 0.021 0.552 45 G N -1.887 107.010 108.800 0.162 0.000 2.387 45 G HA2 0.155 4.206 3.960 0.159 0.000 0.294 45 G HA3 0.155 4.293 3.960 0.212 -0.051 0.294 45 G C -1.967 172.987 174.900 0.091 0.000 1.509 45 G CA 0.184 45.385 45.100 0.167 0.000 0.806 45 G HN -0.457 7.901 8.290 0.114 0.000 0.546 46 G N -1.325 107.517 108.800 0.071 0.000 3.019 46 G HA2 0.388 4.369 3.960 0.034 0.000 0.152 46 G HA3 0.388 4.373 3.960 0.041 0.000 0.152 46 G C -2.260 172.665 174.900 0.042 0.000 1.320 46 G CA -0.949 44.178 45.100 0.045 0.000 1.013 46 G HN 0.114 8.447 8.290 0.073 0.000 0.593 47 P HA -0.291 4.305 4.420 0.031 -0.158 0.264 47 P C -0.872 176.460 177.300 0.053 0.000 1.156 47 P CA 0.517 63.638 63.100 0.034 0.000 0.756 47 P CB 0.247 31.960 31.700 0.021 0.000 0.764 48 C N 3.140 122.483 119.300 0.071 0.000 2.539 48 C HA -0.083 4.438 4.460 0.101 0.000 0.392 48 C C 0.027 175.088 174.990 0.119 0.000 1.269 48 C CA -0.442 58.639 59.018 0.104 0.000 2.250 48 C CB 1.508 29.321 27.740 0.123 0.000 2.584 48 C HN -0.143 8.127 8.230 0.067 0.000 0.589 49 R N 4.055 124.635 120.500 0.134 0.000 2.446 49 R HA 0.033 4.406 4.340 0.055 0.000 0.314 49 R C -1.953 174.473 176.300 0.209 0.000 1.003 49 R CA -1.686 54.469 56.100 0.092 0.000 1.018 49 R CB 0.319 30.563 30.300 -0.094 0.000 0.945 49 R HN 0.490 8.846 8.270 0.144 0.000 0.419 50 P HA 0.036 4.584 4.420 0.214 0.000 0.262 50 P C -2.002 175.465 177.300 0.280 0.000 1.182 50 P CA -1.091 62.130 63.100 0.202 0.000 0.761 50 P CB -0.119 31.672 31.700 0.151 0.000 0.795 51 P HA -0.130 4.557 4.420 0.445 0.000 0.262 51 P C -0.122 177.343 177.300 0.274 0.000 1.182 51 P CA 0.027 63.285 63.100 0.264 0.000 0.761 51 P CB 0.454 32.144 31.700 -0.017 0.000 0.795 52 Q N 1.844 121.840 119.800 0.325 0.000 2.469 52 Q HA -0.176 4.503 4.340 0.266 -0.179 0.279 52 Q C -0.002 176.144 176.000 0.243 0.000 1.097 52 Q CA 0.286 56.248 55.803 0.264 0.000 0.951 52 Q CB 0.665 29.543 28.738 0.233 0.000 1.297 52 Q HN -0.102 8.438 8.270 0.450 0.000 0.465 53 H N 2.565 121.728 119.070 0.154 0.000 2.895 53 H HA -0.087 4.688 4.556 0.103 -0.157 0.371 53 H C 2.090 177.461 175.328 0.071 0.000 1.219 53 H CA 1.266 57.369 56.048 0.091 0.000 1.431 53 H CB 1.173 30.944 29.762 0.016 0.000 1.414 53 H HN 0.399 8.901 8.280 0.371 0.000 0.617 54 T N 4.024 118.118 114.554 -0.767 0.000 2.685 54 T HA -0.321 3.867 4.350 -0.270 0.000 0.268 54 T C 0.724 175.331 174.700 -0.155 0.000 1.034 54 T CA 3.913 65.746 62.100 -0.444 0.000 1.149 54 T CB -0.037 68.503 68.868 -0.546 0.000 0.860 54 T HN 0.291 7.633 8.240 -1.496 0.000 0.449 55 S N -2.370 113.333 115.700 0.005 0.000 2.575 55 S HA 0.027 4.531 4.470 0.056 0.000 0.215 55 S C -0.143 174.539 174.600 0.137 0.000 0.966 55 S CA 0.042 58.314 58.200 0.120 0.000 0.911 55 S CB 0.503 63.825 63.200 0.203 0.000 0.780 55 S HN -0.655 7.698 8.310 0.110 0.024 0.514 56 K N -4.987 115.507 120.400 0.157 0.000 3.500 56 K HA -0.464 4.100 4.320 0.157 -0.150 0.313 56 K C -1.047 175.652 176.600 0.165 0.000 1.338 56 K CA 1.288 57.662 56.287 0.146 0.000 0.963 56 K CB -2.642 29.915 32.500 0.095 0.000 1.267 56 K HN -0.405 7.784 8.250 0.167 0.161 0.448 57 A N -0.356 122.594 122.820 0.217 0.000 2.483 57 A HA -0.103 4.310 4.320 0.155 0.000 0.238 57 A C -1.476 176.286 177.584 0.296 0.000 1.070 57 A CA 0.595 52.771 52.037 0.231 0.000 0.770 57 A CB 0.962 20.128 19.000 0.277 0.000 1.008 57 A HN -0.429 7.796 8.150 0.244 0.072 0.497 58 A N 0.470 123.362 122.820 0.121 0.000 2.356 58 A HA 0.299 4.682 4.320 0.105 0.000 0.323 58 A C -0.902 176.332 177.584 -0.583 0.000 1.119 58 A CA -1.362 50.644 52.037 -0.051 0.000 0.790 58 A CB 2.425 21.378 19.000 -0.078 0.000 1.273 58 A HN 0.032 8.215 8.150 0.054 0.000 0.452 59 A N 1.200 123.472 122.820 -0.913 0.000 2.561 59 A HA -0.001 2.383 4.320 -3.227 0.000 0.234 59 A C -1.628 175.394 177.584 -0.936 0.000 1.055 59 A CA -0.780 50.286 52.037 -1.618 0.000 0.756 59 A CB -0.814 17.644 19.000 -0.903 0.000 0.986 59 A HN 0.190 8.038 8.150 -0.503 0.000 0.505 60 P HA -0.026 4.156 4.420 -0.397 0.000 0.272 60 P C -1.403 175.646 177.300 -0.419 0.000 1.230 60 P CA -0.662 62.153 63.100 -0.476 0.000 0.788 60 P CB 0.790 32.294 31.700 -0.326 0.000 0.949 61 R N 0.332 120.607 120.500 -0.375 0.000 2.248 61 R HA -0.075 4.022 4.340 -0.652 -0.148 0.328 61 R C -0.929 175.156 176.300 -0.358 0.000 1.067 61 R CA -0.028 55.752 56.100 -0.532 0.000 0.924 61 R CB 0.105 30.040 30.300 -0.609 0.000 1.013 61 R HN 0.239 8.320 8.270 -0.315 0.000 0.454 62 I N 5.421 125.815 120.570 -0.293 0.000 2.569 62 I HA 0.257 4.460 4.170 0.055 0.000 0.290 62 I C -2.448 173.821 176.117 0.252 0.000 1.088 62 I CA -3.785 57.518 61.300 0.005 0.000 1.047 62 I CB 3.161 41.171 38.000 0.017 0.000 1.237 62 I HN -0.105 8.104 8.210 -0.367 -0.220 0.421 63 P HA -0.041 4.637 4.420 0.430 0.000 0.266 63 P C -0.181 177.241 177.300 0.202 0.000 1.193 63 P CA -0.076 63.223 63.100 0.331 0.000 0.770 63 P CB 0.743 32.529 31.700 0.142 0.000 0.836 64 A N 1.094 124.012 122.820 0.163 0.000 2.070 64 A HA -0.235 4.166 4.320 0.135 0.000 0.220 64 A C -0.155 177.488 177.584 0.097 0.000 1.159 64 A CA 2.460 54.571 52.037 0.122 0.000 0.656 64 A CB 0.127 19.182 19.000 0.093 0.000 0.800 64 A HN 0.341 8.576 8.150 0.141 0.000 0.453 65 D N -8.604 111.842 120.400 0.075 0.000 2.369 65 D HA -0.043 4.639 4.640 0.071 0.000 0.211 65 D C 0.680 177.019 176.300 0.065 0.000 1.077 65 D CA 0.181 54.218 54.000 0.061 0.000 0.842 65 D CB -0.669 40.148 40.800 0.029 0.000 0.947 65 D HN -0.188 8.183 8.370 0.066 0.040 0.509 66 R N -2.214 118.335 120.500 0.081 0.000 2.308 66 R HA 0.175 4.533 4.340 0.030 0.000 0.202 66 R C -0.474 175.915 176.300 0.149 0.000 0.898 66 R CA -0.396 55.745 56.100 0.067 0.000 1.046 66 R CB 1.204 31.533 30.300 0.048 0.000 1.026 66 R HN -0.729 7.443 8.270 0.093 0.154 0.512 67 L N 0.926 122.259 121.223 0.184 0.000 2.472 67 L HA 0.108 4.612 4.340 0.274 0.000 0.260 67 L C -1.924 175.139 176.870 0.321 0.000 1.209 67 L CA -1.274 53.711 54.840 0.242 0.000 0.817 67 L CB -0.057 42.098 42.059 0.160 0.000 1.106 67 L HN -0.941 7.380 8.230 0.152 0.000 0.479 68 P HA 0.150 4.748 4.420 -0.010 -0.184 0.271 68 P C -0.820 176.534 177.300 0.090 0.000 1.226 68 P CA -0.280 62.815 63.100 -0.008 0.000 0.765 68 P CB 0.539 32.068 31.700 -0.285 0.000 0.835 69 N N 3.298 122.070 118.700 0.121 0.000 2.135 69 N HA -0.222 4.638 4.740 0.200 0.000 0.186 69 N C -1.105 174.571 175.510 0.277 0.000 1.027 69 N CA 1.521 54.683 53.050 0.187 0.000 0.849 69 N CB 1.381 39.960 38.487 0.153 0.000 1.002 69 N HN -0.025 8.589 8.380 0.114 -0.166 0.425 70 H N -3.863 115.237 119.070 0.050 0.000 2.524 70 H HA 0.234 5.050 4.556 0.181 -0.151 0.353 70 H C -2.253 173.053 175.328 -0.037 0.000 1.136 70 H CA -1.474 54.606 56.048 0.053 0.000 1.193 70 H CB 2.886 32.614 29.762 -0.057 0.000 1.558 70 H HN -0.715 8.037 8.280 0.165 -0.373 0.515 71 V N 4.992 124.777 119.914 -0.215 0.000 2.623 71 V HA 0.498 4.622 4.120 -0.348 -0.213 0.304 71 V C -2.204 173.629 176.094 -0.435 0.000 1.054 71 V CA -1.107 61.008 62.300 -0.308 0.000 0.882 71 V CB 4.168 35.917 31.823 -0.123 0.000 1.002 71 V HN -0.367 7.804 8.190 -0.031 0.000 0.424 72 A N 6.976 129.515 122.820 -0.469 0.000 2.287 72 A HA 0.795 5.080 4.320 -0.318 -0.156 0.317 72 A C -1.927 175.366 177.584 -0.484 0.000 1.220 72 A CA -2.061 49.713 52.037 -0.437 0.000 0.835 72 A CB 2.423 21.141 19.000 -0.471 0.000 1.180 72 A HN 0.637 8.523 8.150 -0.439 0.000 0.500 73 I N 4.536 124.928 120.570 -0.297 0.000 2.406 73 I HA 0.209 4.244 4.170 -0.461 -0.141 0.290 73 I C -1.621 174.231 176.117 -0.440 0.000 0.999 73 I CA -1.101 59.964 61.300 -0.392 0.000 1.124 73 I CB 2.776 40.579 38.000 -0.327 0.000 1.289 73 I HN 0.410 8.524 8.210 -0.160 0.000 0.441 74 V N 7.287 126.933 119.914 -0.446 0.000 2.348 74 V HA 0.121 4.009 4.120 -0.387 0.000 0.270 74 V C -1.438 174.404 176.094 -0.421 0.000 1.037 74 V CA -0.644 61.451 62.300 -0.341 0.000 0.872 74 V CB 0.558 32.344 31.823 -0.062 0.000 1.002 74 V HN -0.098 7.819 8.190 -0.455 0.000 0.464 75 M N 8.389 127.605 119.600 -0.639 0.000 2.201 75 M HA 0.140 4.029 4.480 -0.985 0.000 0.345 75 M C -0.961 175.082 176.300 -0.430 0.000 1.352 75 M CA 0.349 55.099 55.300 -0.918 0.000 1.218 75 M CB 0.046 31.677 32.600 -1.616 0.000 1.512 75 M HN 0.383 8.296 8.290 -0.628 0.000 0.447 76 D N 4.004 124.297 120.400 -0.178 0.000 2.252 76 D HA 0.263 4.857 4.640 -0.076 0.000 0.245 76 D C -0.299 176.033 176.300 0.053 0.000 1.009 76 D CA -1.032 52.940 54.000 -0.047 0.000 0.870 76 D CB 3.177 43.975 40.800 -0.003 0.000 1.251 76 D HN -0.155 8.143 8.370 -0.119 0.000 0.460 77 G N 2.409 111.231 108.800 0.038 0.000 2.204 77 G HA2 -0.374 3.654 3.960 0.112 0.000 0.244 77 G HA3 -0.374 3.620 3.960 0.056 0.000 0.244 77 G C 0.254 175.205 174.900 0.085 0.000 1.062 77 G CA 0.515 45.660 45.100 0.076 0.000 0.798 77 G HN 0.380 8.676 8.290 0.009 0.000 0.496 78 N N -0.076 118.599 118.700 -0.041 0.000 2.333 78 N HA -0.156 4.562 4.740 -0.036 0.000 0.178 78 N C 1.425 176.827 175.510 -0.180 0.000 1.018 78 N CA 2.077 55.025 53.050 -0.171 0.000 0.882 78 N CB -0.308 37.884 38.487 -0.491 0.000 0.984 78 N HN 0.067 8.398 8.380 -0.082 0.000 0.434 79 G N 0.939 109.622 108.800 -0.194 0.000 2.394 79 G HA2 -0.266 3.674 3.960 -0.034 0.000 0.214 79 G HA3 -0.266 3.646 3.960 -0.080 0.000 0.214 79 G C 1.146 176.061 174.900 0.025 0.000 1.176 79 G CA 1.725 46.785 45.100 -0.066 0.000 0.786 79 G HN 0.346 8.520 8.290 -0.194 0.000 0.533 80 R N 0.918 121.444 120.500 0.043 0.000 2.117 80 R HA -0.287 4.068 4.340 0.026 0.000 0.243 80 R C 1.997 178.350 176.300 0.089 0.000 1.143 80 R CA 3.557 59.690 56.100 0.055 0.000 0.968 80 R CB -0.383 29.953 30.300 0.060 0.000 0.863 80 R HN 0.183 8.473 8.270 0.033 0.000 0.444 81 W N 0.020 121.295 121.300 -0.042 0.000 2.311 81 W HA -0.357 4.292 4.660 -0.018 0.000 0.326 81 W C 1.927 178.417 176.519 -0.049 0.000 1.239 81 W CA 3.786 61.111 57.345 -0.033 0.000 1.258 81 W CB -0.265 29.179 29.460 -0.026 0.000 1.165 81 W HN -0.731 7.624 8.180 0.293 0.000 0.466 82 A N -3.194 119.796 122.820 0.284 0.000 1.883 82 A HA -0.407 3.942 4.320 0.050 0.000 0.217 82 A C 2.010 179.538 177.584 -0.093 0.000 1.186 82 A CA 3.233 55.332 52.037 0.103 0.000 0.624 82 A CB -0.629 18.465 19.000 0.157 0.000 0.822 82 A HN -0.548 7.834 8.150 0.386 0.000 0.444 83 T N -2.547 111.973 114.554 -0.056 0.000 3.023 83 T HA -0.129 4.341 4.350 -0.073 -0.164 0.266 83 T C 1.505 176.144 174.700 -0.102 0.000 1.093 83 T CA 2.529 64.587 62.100 -0.070 0.000 1.129 83 T CB -0.229 68.616 68.868 -0.039 0.000 0.899 83 T HN -0.488 7.740 8.240 -0.019 0.000 0.491 84 Q N 0.142 119.863 119.800 -0.132 0.000 2.557 84 Q HA -0.164 4.109 4.340 -0.111 0.000 0.217 84 Q C 0.893 176.772 176.000 -0.202 0.000 0.978 84 Q CA 1.553 57.266 55.803 -0.150 0.000 0.950 84 Q CB -0.613 28.032 28.738 -0.155 0.000 0.991 84 Q HN -0.618 7.574 8.270 -0.130 0.000 0.533 85 R N -3.918 116.446 120.500 -0.226 0.000 2.517 85 R HA 0.190 4.400 4.340 -0.217 0.000 0.265 85 R C 0.174 176.379 176.300 -0.159 0.000 0.921 85 R CA 0.010 55.967 56.100 -0.238 0.000 1.054 85 R CB 1.270 31.339 30.300 -0.384 0.000 1.340 85 R HN -0.406 7.627 8.270 -0.210 0.111 0.551 86 G N -0.185 108.539 108.800 -0.128 0.000 2.218 86 G HA2 -0.291 3.617 3.960 -0.087 0.000 0.216 86 G HA3 -0.291 3.622 3.960 -0.079 0.000 0.216 86 G C -0.274 174.577 174.900 -0.082 0.000 0.994 86 G CA -0.132 44.914 45.100 -0.091 0.000 0.637 86 G HN -0.549 7.547 8.290 -0.129 0.117 0.505 87 L N -3.437 117.731 121.223 -0.092 0.000 2.469 87 L HA 0.382 4.679 4.340 -0.072 0.000 0.253 87 L C -1.066 175.766 176.870 -0.063 0.000 1.143 87 L CA -1.106 53.691 54.840 -0.073 0.000 0.804 87 L CB 0.462 42.486 42.059 -0.060 0.000 1.214 87 L HN -0.751 7.357 8.230 -0.114 0.053 0.476 88 A N -1.949 120.826 122.820 -0.075 0.000 2.304 88 A HA 0.137 4.419 4.320 -0.062 0.000 0.271 88 A C 1.431 178.974 177.584 -0.068 0.000 1.091 88 A CA -0.789 51.200 52.037 -0.079 0.000 0.812 88 A CB 0.795 19.726 19.000 -0.115 0.000 1.056 88 A HN 0.149 8.245 8.150 -0.089 0.000 0.489 89 R N -0.603 119.870 120.500 -0.045 0.000 2.139 89 R HA -0.391 3.943 4.340 -0.010 0.000 0.243 89 R C 1.620 177.926 176.300 0.010 0.000 1.145 89 R CA 3.903 60.000 56.100 -0.006 0.000 0.976 89 R CB -0.677 29.654 30.300 0.051 0.000 0.866 89 R HN 0.401 8.647 8.270 -0.040 0.000 0.449 90 T N -4.117 110.360 114.554 -0.128 0.000 2.788 90 T HA -0.276 3.987 4.350 -0.144 0.000 0.268 90 T C 1.672 176.158 174.700 -0.356 0.000 1.044 90 T CA 3.999 65.851 62.100 -0.413 0.000 1.139 90 T CB -0.858 67.311 68.868 -1.166 0.000 0.867 90 T HN 0.002 8.111 8.240 -0.187 0.019 0.454 91 E N 0.895 120.933 120.200 -0.270 0.000 2.130 91 E HA -0.304 3.861 4.350 -0.309 0.000 0.196 91 E C 2.494 179.052 176.600 -0.069 0.000 0.998 91 E CA 2.724 59.010 56.400 -0.189 0.000 0.806 91 E CB -0.915 28.740 29.700 -0.075 0.000 0.738 91 E HN -0.360 7.855 8.360 -0.241 0.000 0.459 92 G N -2.617 106.199 108.800 0.027 0.000 2.421 92 G HA2 -0.196 4.059 3.960 0.124 0.000 0.217 92 G HA3 -0.196 3.716 3.960 -0.080 0.000 0.217 92 G C 1.259 176.077 174.900 -0.137 0.000 1.143 92 G CA 1.371 46.470 45.100 -0.000 0.000 0.784 92 G HN -0.654 7.638 8.290 0.023 0.012 0.541 93 H N 2.066 121.145 119.070 0.015 0.000 2.352 93 H HA -0.268 4.387 4.556 0.165 0.000 0.299 93 H C 3.089 178.541 175.328 0.206 0.000 1.097 93 H CA 3.584 59.710 56.048 0.129 0.000 1.311 93 H CB -0.171 29.712 29.762 0.201 0.000 1.377 93 H HN -0.664 7.520 8.280 -0.020 0.083 0.504 94 K N -0.945 119.545 120.400 0.149 0.000 2.074 94 K HA -0.363 4.343 4.320 0.644 0.000 0.209 94 K C 2.245 179.105 176.600 0.434 0.000 1.048 94 K CA 3.570 60.044 56.287 0.312 0.000 0.926 94 K CB -0.178 32.176 32.500 -0.244 0.000 0.713 94 K HN -0.489 7.763 8.250 0.003 0.000 0.444 95 M N -5.033 114.603 119.600 0.060 0.000 2.374 95 M HA -0.087 4.406 4.480 0.022 0.000 0.264 95 M C 1.734 178.013 176.300 -0.035 0.000 1.067 95 M CA 1.420 56.653 55.300 -0.111 0.000 1.103 95 M CB -1.200 30.979 32.600 -0.701 0.000 1.402 95 M HN -0.573 7.560 8.290 -0.083 0.108 0.444 96 G N -2.667 106.218 108.800 0.141 0.000 2.712 96 G HA2 -0.129 4.155 3.960 0.541 0.000 0.212 96 G HA3 -0.129 3.923 3.960 0.154 0.000 0.212 96 G C -0.080 175.071 174.900 0.417 0.000 1.142 96 G CA 0.604 45.904 45.100 0.333 0.000 0.789 96 G HN -0.331 7.916 8.290 0.189 0.156 0.535 97 E N 2.658 123.097 120.200 0.397 0.000 2.051 97 E HA -0.390 4.143 4.350 0.306 0.000 0.192 97 E C 1.054 177.804 176.600 0.251 0.000 0.991 97 E CA 3.409 60.004 56.400 0.325 0.000 0.799 97 E CB -0.053 29.845 29.700 0.330 0.000 0.748 97 E HN -0.485 8.106 8.360 0.447 0.038 0.449 98 A N -3.511 119.430 122.820 0.203 0.000 2.168 98 A HA -0.139 4.370 4.320 0.315 0.000 0.215 98 A C 1.862 179.534 177.584 0.147 0.000 1.152 98 A CA 2.382 54.528 52.037 0.181 0.000 0.716 98 A CB -0.771 18.229 19.000 -0.001 0.000 0.794 98 A HN 0.144 8.412 8.150 0.196 0.000 0.465 99 V N -1.563 118.382 119.914 0.052 0.000 2.599 99 V HA -0.311 3.738 4.120 -0.118 0.000 0.245 99 V C 1.585 177.733 176.094 0.090 0.000 1.046 99 V CA 3.275 65.499 62.300 -0.127 0.000 1.065 99 V CB 0.085 31.495 31.823 -0.689 0.000 0.703 99 V HN -0.495 7.588 8.190 0.071 0.149 0.464 100 V N 0.954 121.079 119.914 0.352 0.000 2.252 100 V HA -0.513 3.927 4.120 0.533 0.000 0.249 100 V C 2.054 178.294 176.094 0.244 0.000 1.056 100 V CA 4.563 67.098 62.300 0.391 0.000 1.022 100 V CB -0.667 31.341 31.823 0.310 0.000 0.641 100 V HN -0.533 7.895 8.190 0.397 0.000 0.445 101 I N -2.909 117.794 120.570 0.222 0.000 2.761 101 I HA -0.295 3.924 4.170 0.081 0.000 0.261 101 I C 1.655 177.890 176.117 0.197 0.000 1.198 101 I CA 1.772 63.161 61.300 0.147 0.000 1.482 101 I CB -1.578 36.476 38.000 0.089 0.000 1.100 101 I HN -0.636 7.724 8.210 0.250 0.000 0.445 102 D N 0.406 121.000 120.400 0.323 0.000 2.277 102 D HA -0.159 4.738 4.640 0.428 0.000 0.208 102 D C 2.097 178.477 176.300 0.135 0.000 0.962 102 D CA 2.895 57.082 54.000 0.313 0.000 0.865 102 D CB 0.261 41.209 40.800 0.246 0.000 0.939 102 D HN -0.525 7.911 8.370 0.313 0.121 0.510 103 I N -0.753 119.885 120.570 0.114 0.000 3.427 103 I HA -0.143 4.043 4.170 0.026 0.000 0.288 103 I C 0.830 177.013 176.117 0.109 0.000 1.249 103 I CA -0.047 61.308 61.300 0.091 0.000 1.421 103 I CB -0.432 37.667 38.000 0.166 0.000 1.086 103 I HN -0.532 7.634 8.210 0.144 0.131 0.448 104 A N 1.074 123.961 122.820 0.113 0.000 1.832 104 A HA -0.220 4.153 4.320 0.089 0.000 0.214 104 A C 1.649 179.283 177.584 0.082 0.000 1.200 104 A CA 3.506 55.594 52.037 0.085 0.000 0.610 104 A CB -1.103 17.929 19.000 0.054 0.000 0.842 104 A HN -0.318 7.807 8.150 0.124 0.100 0.444 105 C N -2.680 116.668 119.300 0.079 0.000 2.391 105 C HA -0.499 4.019 4.460 0.097 0.000 0.276 105 C C 2.316 177.395 174.990 0.148 0.000 1.217 105 C CA 5.799 64.881 59.018 0.107 0.000 1.766 105 C CB -0.577 27.236 27.740 0.121 0.000 2.046 105 C HN -0.413 7.857 8.230 0.065 0.000 0.475 106 G N -3.677 105.200 108.800 0.128 0.000 2.448 106 G HA2 -0.221 3.725 3.960 -0.023 0.000 0.218 106 G HA3 -0.221 3.885 3.960 0.244 0.000 0.218 106 G C -0.032 175.042 174.900 0.290 0.000 1.135 106 G CA 1.475 46.665 45.100 0.150 0.000 0.784 106 G HN -0.434 7.897 8.290 0.097 0.017 0.543 107 A N 0.936 123.872 122.820 0.193 0.000 2.030 107 A HA -0.121 4.351 4.320 0.254 0.000 0.215 107 A C 1.236 178.915 177.584 0.159 0.000 1.164 107 A CA 2.173 54.327 52.037 0.195 0.000 0.697 107 A CB -0.003 19.080 19.000 0.139 0.000 0.827 107 A HN -0.526 7.585 8.150 0.145 0.126 0.457 108 I N -1.698 118.950 120.570 0.130 0.000 2.315 108 I HA -0.470 3.743 4.170 0.071 0.000 0.248 108 I C 1.583 177.762 176.117 0.105 0.000 1.117 108 I CA 3.798 65.154 61.300 0.094 0.000 1.404 108 I CB 0.041 38.086 38.000 0.075 0.000 1.071 108 I HN -0.671 7.615 8.210 0.128 0.000 0.419 109 E N -2.261 118.036 120.200 0.161 0.000 2.268 109 E HA -0.374 4.031 4.350 0.090 0.000 0.195 109 E C 2.028 178.674 176.600 0.077 0.000 0.995 109 E CA 2.679 59.166 56.400 0.146 0.000 0.836 109 E CB 0.155 30.019 29.700 0.274 0.000 0.763 109 E HN -0.691 7.790 8.360 0.202 0.000 0.491 110 L N -3.730 117.570 121.223 0.129 0.000 2.200 110 L HA -0.121 4.162 4.340 -0.095 0.000 0.200 110 L C 0.419 177.307 176.870 0.030 0.000 1.072 110 L CA 1.230 56.089 54.840 0.032 0.000 0.787 110 L CB 1.343 43.483 42.059 0.135 0.000 0.957 110 L HN -0.840 7.362 8.230 0.199 0.147 0.459 111 G N -3.639 105.204 108.800 0.071 0.000 2.977 111 G HA2 -0.114 3.885 3.960 0.064 0.000 0.211 111 G HA3 -0.114 3.879 3.960 0.054 0.000 0.211 111 G C -0.194 174.753 174.900 0.079 0.000 0.994 111 G CA -0.924 44.215 45.100 0.065 0.000 0.795 111 G HN -0.511 7.836 8.290 0.094 0.000 0.518 112 I N 1.962 122.591 120.570 0.099 0.000 3.076 112 I HA -0.406 3.837 4.170 0.122 0.000 0.321 112 I C 0.184 176.349 176.117 0.080 0.000 1.216 112 I CA -0.520 60.845 61.300 0.110 0.000 1.460 112 I CB -1.625 36.447 38.000 0.120 0.000 1.313 112 I HN -0.481 7.796 8.210 0.111 0.000 0.546 113 K N 2.066 122.528 120.400 0.104 0.000 2.365 113 K HA 0.298 4.576 4.320 -0.070 0.000 0.195 113 K C -0.502 175.999 176.600 -0.166 0.000 1.079 113 K CA -0.099 56.183 56.287 -0.008 0.000 0.979 113 K CB 2.024 34.566 32.500 0.070 0.000 0.929 113 K HN -0.207 8.142 8.250 0.165 0.000 0.523 114 W N -2.729 118.616 121.300 0.075 0.000 2.864 114 W HA 0.395 5.228 4.660 0.056 -0.139 0.343 114 W C -1.208 175.457 176.519 0.243 0.000 1.109 114 W CA -0.559 56.849 57.345 0.105 0.000 1.192 114 W CB 3.924 33.373 29.460 -0.017 0.000 1.426 114 W HN -0.215 8.182 8.180 0.363 0.000 0.529 115 L N 2.161 123.683 121.223 0.500 0.000 2.795 115 L HA 0.486 5.188 4.340 0.238 -0.220 0.260 115 L C -2.589 174.444 176.870 0.271 0.000 0.935 115 L CA 0.362 55.378 54.840 0.295 0.000 0.985 115 L CB 3.724 45.875 42.059 0.153 0.000 1.433 115 L HN 0.100 8.626 8.230 0.494 0.000 0.447 116 S N 6.413 122.234 115.700 0.200 0.000 2.454 116 S HA 0.598 5.350 4.470 0.199 -0.162 0.306 116 S C -1.306 173.368 174.600 0.124 0.000 1.100 116 S CA -1.305 57.007 58.200 0.187 0.000 1.087 116 S CB 1.631 64.913 63.200 0.136 0.000 1.019 116 S HN 0.219 8.568 8.310 0.065 0.000 0.480 117 L N 2.647 123.890 121.223 0.033 0.000 2.334 117 L HA 0.546 4.903 4.340 -0.216 -0.146 0.273 117 L C -1.196 175.499 176.870 -0.292 0.000 1.013 117 L CA -1.078 53.646 54.840 -0.193 0.000 0.816 117 L CB 2.588 44.440 42.059 -0.345 0.000 1.278 117 L HN -0.240 8.001 8.230 0.018 0.000 0.431 118 Y N 2.542 122.367 120.300 -0.793 0.000 2.931 118 Y HA 0.106 4.063 4.550 -0.988 0.000 0.330 118 Y C -0.897 174.658 175.900 -0.575 0.000 1.115 118 Y CA -1.849 55.642 58.100 -1.014 0.000 1.283 118 Y CB 0.714 38.249 38.460 -1.542 0.000 1.215 118 Y HN -0.286 7.677 8.280 -0.527 0.000 0.534 119 A N 7.113 129.723 122.820 -0.350 0.000 1.898 119 A HA -0.096 4.047 4.320 -0.294 0.000 0.214 119 A C -1.054 176.416 177.584 -0.190 0.000 1.183 119 A CA 1.502 53.380 52.037 -0.265 0.000 0.622 119 A CB 1.026 19.925 19.000 -0.168 0.000 0.824 119 A HN 0.109 8.102 8.150 -0.261 0.000 0.444 120 F N -1.771 117.942 119.950 -0.395 0.000 2.604 120 F HA 0.411 4.795 4.527 -0.501 -0.158 0.316 120 F C -1.991 173.576 175.800 -0.387 0.000 1.136 120 F CA -0.979 56.765 58.000 -0.427 0.000 0.989 120 F CB 3.960 42.755 39.000 -0.343 0.000 1.258 120 F HN -0.772 7.469 8.300 -0.098 0.000 0.451 121 S N 4.333 119.471 115.700 -0.937 0.000 2.690 121 S HA 0.703 5.321 4.470 -0.013 -0.156 0.291 121 S C 1.374 175.753 174.600 -0.367 0.000 1.138 121 S CA -2.026 55.913 58.200 -0.435 0.000 1.013 121 S CB 2.782 65.760 63.200 -0.370 0.000 1.053 121 S HN 0.065 7.895 8.310 -1.271 -0.282 0.539 122 T N -2.268 112.328 114.554 0.070 0.000 3.155 122 T HA 0.015 4.829 4.350 0.506 -0.161 0.264 122 T C 0.705 175.545 174.700 0.235 0.000 1.160 122 T CA 1.531 63.801 62.100 0.283 0.000 1.075 122 T CB -0.209 68.833 68.868 0.290 0.000 0.921 122 T HN 0.319 8.663 8.240 0.175 0.000 0.533 123 E N -0.959 119.215 120.200 -0.042 0.000 2.473 123 E HA 0.161 4.569 4.350 0.097 0.000 0.204 123 E C 0.563 177.052 176.600 -0.185 0.000 0.994 123 E CA 0.496 56.880 56.400 -0.027 0.000 0.945 123 E CB 0.304 29.993 29.700 -0.019 0.000 0.990 123 E HN -0.660 7.505 8.360 -0.168 0.095 0.493 124 N N 1.451 119.780 118.700 -0.617 0.000 2.521 124 N HA -0.132 4.347 4.740 -0.436 0.000 0.188 124 N C 1.605 176.909 175.510 -0.345 0.000 1.146 124 N CA 2.045 54.647 53.050 -0.747 0.000 0.893 124 N CB -0.105 37.394 38.487 -1.647 0.000 0.975 124 N HN -0.500 7.246 8.380 -0.878 0.108 0.451 125 W N -2.606 118.702 121.300 0.014 0.000 2.699 125 W HA -0.187 4.643 4.660 0.284 0.000 0.249 125 W C 0.702 177.277 176.519 0.094 0.000 1.280 125 W CA 1.013 58.460 57.345 0.170 0.000 1.345 125 W CB -0.908 28.652 29.460 0.166 0.000 1.128 125 W HN -0.017 8.079 8.180 -0.030 0.066 0.642 126 K N -3.459 117.064 120.400 0.205 0.000 2.217 126 K HA -0.177 4.234 4.320 0.151 0.000 0.202 126 K C 0.780 177.444 176.600 0.105 0.000 1.051 126 K CA 1.193 57.560 56.287 0.133 0.000 0.952 126 K CB -0.080 32.464 32.500 0.073 0.000 0.736 126 K HN -0.823 7.458 8.250 0.134 0.049 0.453 127 R N -1.633 118.917 120.500 0.084 0.000 2.893 127 R HA -0.183 4.190 4.340 0.056 0.000 0.279 127 R C 0.212 176.574 176.300 0.103 0.000 1.076 127 R CA -0.131 56.012 56.100 0.072 0.000 1.203 127 R CB 0.413 30.744 30.300 0.053 0.000 1.137 127 R HN -0.776 7.510 8.270 0.063 0.022 0.541 128 S N -0.817 114.933 115.700 0.084 0.000 2.560 128 S HA 0.033 4.554 4.470 0.085 0.000 0.284 128 S C 0.078 174.744 174.600 0.110 0.000 1.327 128 S CA -1.159 57.092 58.200 0.086 0.000 1.055 128 S CB 0.479 63.716 63.200 0.063 0.000 0.868 128 S HN 0.242 8.595 8.310 0.070 0.000 0.506 129 P HA -0.204 4.321 4.420 0.176 0.000 0.219 129 P C 0.318 177.698 177.300 0.133 0.000 1.144 129 P CA 2.343 65.528 63.100 0.142 0.000 0.806 129 P CB 0.115 31.887 31.700 0.120 0.000 0.771 130 E N -4.573 115.688 120.200 0.102 0.000 2.276 130 E HA -0.033 4.385 4.350 0.113 0.000 0.193 130 E C 1.719 178.377 176.600 0.098 0.000 0.983 130 E CA 2.420 58.877 56.400 0.095 0.000 0.861 130 E CB -0.405 29.332 29.700 0.062 0.000 0.817 130 E HN 0.405 8.760 8.360 0.089 0.058 0.485 131 E N 1.055 121.305 120.200 0.084 0.000 2.086 131 E HA -0.154 4.263 4.350 0.112 0.000 0.190 131 E C 2.145 178.777 176.600 0.054 0.000 0.975 131 E CA 2.852 59.304 56.400 0.087 0.000 0.813 131 E CB 0.290 30.032 29.700 0.070 0.000 0.768 131 E HN -0.746 7.662 8.360 0.080 0.000 0.457 132 V N -0.518 119.421 119.914 0.042 0.000 2.453 132 V HA -0.464 3.576 4.120 -0.133 0.000 0.252 132 V C 1.990 177.969 176.094 -0.190 0.000 1.068 132 V CA 4.497 66.758 62.300 -0.065 0.000 1.070 132 V CB -0.771 31.106 31.823 0.091 0.000 0.664 132 V HN -0.334 7.904 8.190 0.079 0.000 0.461 133 R N -0.037 120.457 120.500 -0.011 0.000 2.057 133 R HA -0.277 4.078 4.340 0.024 0.000 0.229 133 R C 1.953 178.220 176.300 -0.055 0.000 1.136 133 R CA 3.304 59.425 56.100 0.035 0.000 0.952 133 R CB -0.283 30.131 30.300 0.189 0.000 0.848 133 R HN -0.720 7.464 8.270 0.064 0.125 0.430 134 F N 0.367 120.258 119.950 -0.099 0.000 2.216 134 F HA -0.285 4.217 4.527 -0.041 0.000 0.300 134 F C 1.416 177.128 175.800 -0.146 0.000 1.085 134 F CA 2.831 60.773 58.000 -0.097 0.000 1.326 134 F CB 0.146 39.080 39.000 -0.110 0.000 1.027 134 F HN -0.613 7.815 8.300 0.213 0.000 0.497 135 L N -1.476 119.541 121.223 -0.344 0.000 2.005 135 L HA -0.543 3.502 4.340 -0.491 0.000 0.207 135 L C 1.933 178.450 176.870 -0.589 0.000 1.072 135 L CA 3.163 57.721 54.840 -0.470 0.000 0.744 135 L CB -0.359 41.473 42.059 -0.379 0.000 0.895 135 L HN 0.107 8.201 8.230 -0.184 0.025 0.433 136 M N -1.992 117.115 119.600 -0.820 0.000 2.073 136 M HA -0.372 3.536 4.480 -0.953 0.000 0.258 136 M C 2.682 178.562 176.300 -0.700 0.000 1.070 136 M CA 2.897 57.563 55.300 -1.057 0.000 1.103 136 M CB -0.875 30.487 32.600 -2.063 0.000 1.321 136 M HN -0.531 7.256 8.290 -0.837 0.000 0.405 137 G N -4.087 104.379 108.800 -0.557 0.000 2.572 137 G HA2 -0.198 3.743 3.960 -0.031 0.000 0.216 137 G HA3 -0.198 3.716 3.960 -0.076 0.000 0.216 137 G C 1.038 175.849 174.900 -0.148 0.000 1.133 137 G CA 1.295 46.292 45.100 -0.172 0.000 0.791 137 G HN -0.440 7.483 8.290 -0.613 0.000 0.538 138 F N 3.424 123.067 119.950 -0.512 0.000 2.270 138 F HA -0.066 4.252 4.527 -0.348 0.000 0.295 138 F C 0.667 176.304 175.800 -0.272 0.000 1.087 138 F CA 1.388 59.097 58.000 -0.484 0.000 1.365 138 F CB 0.573 39.014 39.000 -0.932 0.000 1.056 138 F HN -0.441 7.490 8.300 -0.371 0.147 0.506 139 N N 0.507 119.017 118.700 -0.316 0.000 2.084 139 N HA -0.365 4.195 4.740 -0.299 0.000 0.190 139 N C 2.078 177.411 175.510 -0.295 0.000 1.030 139 N CA 3.519 56.400 53.050 -0.282 0.000 0.849 139 N CB -0.472 37.914 38.487 -0.169 0.000 1.012 139 N HN -0.191 8.015 8.380 -0.289 0.000 0.423 140 R N -0.284 120.070 120.500 -0.244 0.000 2.094 140 R HA -0.419 3.798 4.340 -0.204 0.000 0.239 140 R C 1.496 177.681 176.300 -0.191 0.000 1.137 140 R CA 3.673 59.659 56.100 -0.189 0.000 0.943 140 R CB -0.076 30.166 30.300 -0.096 0.000 0.850 140 R HN -0.674 7.450 8.270 -0.243 0.000 0.433 141 D N -0.888 119.408 120.400 -0.173 0.000 2.108 141 D HA -0.286 4.295 4.640 -0.098 0.000 0.190 141 D C 2.616 178.778 176.300 -0.230 0.000 0.995 141 D CA 3.314 57.225 54.000 -0.148 0.000 0.834 141 D CB -0.448 40.312 40.800 -0.066 0.000 0.967 141 D HN -0.656 7.618 8.370 -0.159 0.000 0.446 142 V N -0.254 119.436 119.914 -0.374 0.000 2.220 142 V HA -0.538 3.380 4.120 -0.337 0.000 0.250 142 V C 2.147 178.066 176.094 -0.291 0.000 1.056 142 V CA 3.761 65.836 62.300 -0.375 0.000 1.016 142 V CB -0.556 30.979 31.823 -0.480 0.000 0.639 142 V HN -0.248 7.649 8.190 -0.489 0.000 0.446 143 V N -1.604 118.107 119.914 -0.339 0.000 2.257 143 V HA -0.581 3.297 4.120 -0.404 0.000 0.257 143 V C 1.809 177.758 176.094 -0.243 0.000 1.077 143 V CA 4.517 66.606 62.300 -0.351 0.000 1.063 143 V CB -0.382 31.208 31.823 -0.388 0.000 0.664 143 V HN -0.270 7.695 8.190 -0.375 0.000 0.450 144 R N -2.565 117.815 120.500 -0.199 0.000 2.073 144 R HA -0.351 3.904 4.340 -0.141 0.000 0.229 144 R C 2.268 178.481 176.300 -0.145 0.000 1.120 144 R CA 2.718 58.729 56.100 -0.149 0.000 0.967 144 R CB -0.248 29.983 30.300 -0.116 0.000 0.862 144 R HN -0.754 7.394 8.270 -0.201 0.001 0.436 145 R N -1.937 118.467 120.500 -0.159 0.000 2.139 145 R HA -0.278 3.983 4.340 -0.130 0.000 0.243 145 R C 1.683 177.880 176.300 -0.172 0.000 1.145 145 R CA 2.731 58.738 56.100 -0.155 0.000 0.976 145 R CB -0.068 30.123 30.300 -0.181 0.000 0.866 145 R HN -0.388 7.714 8.270 -0.171 0.065 0.449 146 R N -5.886 114.498 120.500 -0.193 0.000 2.446 146 R HA 0.265 4.447 4.340 -0.262 0.000 0.254 146 R C 1.163 177.333 176.300 -0.216 0.000 0.918 146 R CA -0.633 55.332 56.100 -0.226 0.000 1.069 146 R CB 0.333 30.509 30.300 -0.205 0.000 1.194 146 R HN -0.451 7.657 8.270 -0.194 0.046 0.534 147 R N 0.337 120.731 120.500 -0.177 0.000 2.148 147 R HA -0.161 4.091 4.340 -0.147 0.000 0.223 147 R C 1.476 177.697 176.300 -0.133 0.000 1.088 147 R CA 3.387 59.398 56.100 -0.148 0.000 0.985 147 R CB -0.872 29.349 30.300 -0.131 0.000 0.880 147 R HN -0.510 7.658 8.270 -0.171 0.000 0.451 148 D N -0.979 119.341 120.400 -0.133 0.000 2.149 148 D HA -0.139 4.449 4.640 -0.086 0.000 0.201 148 D C 1.516 177.738 176.300 -0.129 0.000 0.972 148 D CA 3.468 57.404 54.000 -0.107 0.000 0.835 148 D CB -0.308 40.440 40.800 -0.087 0.000 0.966 148 D HN 0.219 8.505 8.370 -0.140 0.000 0.476 149 T N 2.560 116.985 114.554 -0.215 0.000 2.770 149 T HA -0.209 4.020 4.350 -0.202 0.000 0.263 149 T C 1.789 176.337 174.700 -0.253 0.000 1.039 149 T CA 4.078 65.992 62.100 -0.311 0.000 1.142 149 T CB -0.044 68.371 68.868 -0.755 0.000 0.868 149 T HN -0.647 7.445 8.240 -0.246 0.000 0.435 150 L N -0.185 120.894 121.223 -0.240 0.000 2.083 150 L HA -0.422 3.822 4.340 -0.161 0.000 0.209 150 L C 1.299 178.110 176.870 -0.099 0.000 1.083 150 L CA 2.911 57.656 54.840 -0.159 0.000 0.752 150 L CB -0.578 41.400 42.059 -0.134 0.000 0.899 150 L HN -0.354 7.723 8.230 -0.255 0.000 0.433 151 K N -0.719 119.626 120.400 -0.092 0.000 2.063 151 K HA -0.322 3.965 4.320 -0.055 0.000 0.208 151 K C 2.618 179.192 176.600 -0.043 0.000 1.048 151 K CA 3.277 59.527 56.287 -0.061 0.000 0.928 151 K CB -0.312 32.154 32.500 -0.057 0.000 0.713 151 K HN -0.300 7.886 8.250 -0.107 0.000 0.442 152 K N -2.182 118.193 120.400 -0.042 0.000 2.366 152 K HA -0.164 4.154 4.320 -0.003 0.000 0.198 152 K C 1.419 178.024 176.600 0.009 0.000 1.044 152 K CA 2.100 58.383 56.287 -0.008 0.000 0.973 152 K CB -0.147 32.359 32.500 0.010 0.000 0.767 152 K HN -0.757 7.343 8.250 -0.062 0.114 0.475 153 L N -4.560 116.657 121.223 -0.009 0.000 2.591 153 L HA 0.042 4.404 4.340 0.037 0.000 0.228 153 L C 0.279 177.147 176.870 -0.005 0.000 1.133 153 L CA -0.088 54.758 54.840 0.009 0.000 0.880 153 L CB 0.224 42.283 42.059 0.000 0.000 1.033 153 L HN -0.699 7.371 8.230 -0.037 0.137 0.450 154 G N -0.799 107.991 108.800 -0.017 0.000 2.272 154 G HA2 -0.379 3.570 3.960 -0.019 0.000 0.280 154 G HA3 -0.379 3.731 3.960 -0.026 -0.166 0.280 154 G C -1.045 173.829 174.900 -0.044 0.000 1.067 154 G CA 0.624 45.709 45.100 -0.026 0.000 0.902 154 G HN -0.643 7.451 8.290 -0.019 0.184 0.500 155 V N -0.603 119.280 119.914 -0.051 0.000 2.370 155 V HA 0.194 4.397 4.120 -0.074 -0.127 0.279 155 V C -0.575 175.478 176.094 -0.069 0.000 1.029 155 V CA -0.782 61.480 62.300 -0.064 0.000 0.870 155 V CB 1.270 33.061 31.823 -0.054 0.000 0.984 155 V HN -0.578 7.583 8.190 -0.049 0.000 0.451 156 R N 8.182 128.625 120.500 -0.096 0.000 2.389 156 R HA 0.037 4.514 4.340 -0.062 -0.174 0.295 156 R C -1.539 174.726 176.300 -0.057 0.000 1.075 156 R CA -0.041 56.007 56.100 -0.086 0.000 1.005 156 R CB 1.121 31.341 30.300 -0.133 0.000 0.987 156 R HN -0.224 7.971 8.270 -0.125 0.000 0.452 157 I N 5.161 125.721 120.570 -0.016 0.000 2.569 157 I HA 0.760 5.141 4.170 0.052 -0.180 0.290 157 I C -2.898 173.256 176.117 0.061 0.000 1.088 157 I CA -2.245 59.073 61.300 0.030 0.000 1.047 157 I CB 4.483 42.489 38.000 0.009 0.000 1.237 157 I HN 0.348 8.548 8.210 -0.016 0.000 0.421 158 R N 5.044 125.622 120.500 0.129 0.000 2.829 158 R HA 0.429 4.862 4.340 0.155 0.000 0.267 158 R C -2.875 173.606 176.300 0.301 0.000 1.051 158 R CA -1.419 54.786 56.100 0.176 0.000 0.927 158 R CB 2.570 32.957 30.300 0.145 0.000 1.292 158 R HN -0.197 8.169 8.270 0.161 0.000 0.445 159 W N -0.018 121.352 121.300 0.116 0.000 2.570 159 W HA 0.630 5.578 4.660 0.202 -0.167 0.337 159 W C -2.185 174.442 176.519 0.180 0.000 1.067 159 W CA -1.618 55.821 57.345 0.157 0.000 1.229 159 W CB 2.243 31.775 29.460 0.119 0.000 1.355 159 W HN 0.147 8.563 8.180 0.394 0.000 0.555 160 V N 3.763 123.418 119.914 -0.433 0.000 2.668 160 V HA 0.152 3.993 4.120 -0.692 -0.136 0.304 160 V C -1.416 174.417 176.094 -0.434 0.000 1.071 160 V CA -1.625 60.370 62.300 -0.508 0.000 0.894 160 V CB 2.909 34.710 31.823 -0.038 0.000 1.008 160 V HN 0.138 8.307 8.190 -0.034 0.000 0.425 161 G N 6.673 115.171 108.800 -0.504 0.000 2.350 161 G HA2 0.184 4.593 3.960 0.381 0.000 0.276 161 G HA3 0.184 4.289 3.960 0.240 0.000 0.276 161 G C -2.284 172.616 174.900 -0.000 0.000 1.313 161 G CA 0.529 45.666 45.100 0.061 0.000 0.903 161 G HN 0.174 8.346 8.290 -0.676 -0.288 0.490 162 S N 0.272 116.187 115.700 0.358 0.000 2.607 162 S HA 0.367 4.978 4.470 0.235 0.000 0.303 162 S C -0.126 174.796 174.600 0.536 0.000 1.086 162 S CA -1.143 57.259 58.200 0.337 0.000 0.995 162 S CB 3.017 66.343 63.200 0.211 0.000 1.084 162 S HN 0.055 8.644 8.310 0.466 0.000 0.507 163 R N -0.938 119.813 120.500 0.419 0.000 2.100 163 R HA 0.208 4.774 4.340 0.378 0.000 0.220 163 R C -1.599 174.832 176.300 0.218 0.000 1.091 163 R CA 2.512 58.815 56.100 0.338 0.000 0.986 163 R CB -1.370 29.087 30.300 0.261 0.000 0.888 163 R HN 0.580 9.047 8.270 0.329 0.000 0.444 164 P HA -0.075 4.371 4.420 0.043 0.000 0.260 164 P C -0.997 176.315 177.300 0.020 0.000 1.185 164 P CA 1.593 64.734 63.100 0.068 0.000 0.763 164 P CB -0.121 31.603 31.700 0.041 0.000 0.776 165 R N -3.749 116.714 120.500 -0.061 0.000 3.769 165 R HA -0.344 3.882 4.340 -0.190 0.000 0.443 165 R C -0.918 175.451 176.300 0.116 0.000 0.647 165 R CA 0.943 56.907 56.100 -0.226 0.000 1.563 165 R CB -1.979 27.778 30.300 -0.905 0.000 2.174 165 R HN 0.317 8.565 8.270 -0.037 0.000 0.403 166 L N -0.018 121.395 121.223 0.316 0.000 2.416 166 L HA -0.067 4.615 4.340 0.571 0.000 0.272 166 L C 0.217 177.310 176.870 0.372 0.000 1.161 166 L CA 0.037 55.133 54.840 0.427 0.000 0.845 166 L CB 0.374 42.636 42.059 0.339 0.000 1.119 166 L HN -0.709 7.582 8.230 0.269 0.101 0.464 167 W N 5.517 126.843 121.300 0.043 0.000 2.223 167 W HA 0.004 4.656 4.660 -0.012 0.000 0.334 167 W C 1.417 177.882 176.519 -0.090 0.000 1.334 167 W CA -0.581 56.748 57.345 -0.027 0.000 1.246 167 W CB -0.152 29.281 29.460 -0.044 0.000 1.184 167 W HN 0.123 8.565 8.180 0.436 0.000 0.563 168 R N 4.495 125.053 120.500 0.096 0.000 2.200 168 R HA -0.488 3.831 4.340 -0.036 0.000 0.234 168 R C 1.568 177.863 176.300 -0.008 0.000 1.127 168 R CA 3.447 59.545 56.100 -0.003 0.000 0.989 168 R CB -0.387 29.895 30.300 -0.031 0.000 0.869 168 R HN 0.355 8.660 8.270 0.057 0.000 0.459 169 S N -0.903 114.842 115.700 0.075 0.000 2.365 169 S HA -0.350 4.133 4.470 0.022 0.000 0.221 169 S C 1.641 176.229 174.600 -0.019 0.000 1.037 169 S CA 3.867 62.108 58.200 0.068 0.000 1.060 169 S CB -0.407 62.931 63.200 0.231 0.000 0.974 169 S HN -0.044 8.322 8.310 0.144 0.031 0.427 170 V N 0.842 120.735 119.914 -0.035 0.000 2.287 170 V HA -0.441 3.578 4.120 -0.168 0.000 0.248 170 V C 1.807 177.732 176.094 -0.281 0.000 1.053 170 V CA 4.067 66.263 62.300 -0.174 0.000 1.027 170 V CB -0.092 31.602 31.823 -0.215 0.000 0.646 170 V HN -0.802 7.418 8.190 0.049 0.000 0.447 171 I N -1.940 118.417 120.570 -0.355 0.000 2.493 171 I HA -0.548 3.214 4.170 -0.680 0.000 0.254 171 I C 1.983 177.955 176.117 -0.243 0.000 1.160 171 I CA 3.572 64.580 61.300 -0.487 0.000 1.445 171 I CB -0.831 36.839 38.000 -0.549 0.000 1.086 171 I HN -0.870 7.165 8.210 -0.291 0.000 0.433 172 N N 0.081 118.687 118.700 -0.158 0.000 2.171 172 N HA -0.187 4.503 4.740 -0.083 0.000 0.184 172 N C 2.297 177.751 175.510 -0.093 0.000 1.021 172 N CA 2.961 55.952 53.050 -0.097 0.000 0.854 172 N CB -0.517 37.930 38.487 -0.068 0.000 0.994 172 N HN -0.388 7.777 8.380 -0.147 0.127 0.426 173 E N -0.952 119.180 120.200 -0.114 0.000 2.427 173 E HA -0.128 4.164 4.350 -0.097 0.000 0.196 173 E C 1.649 178.167 176.600 -0.136 0.000 1.028 173 E CA 1.590 57.919 56.400 -0.118 0.000 0.864 173 E CB -0.217 29.404 29.700 -0.131 0.000 0.813 173 E HN -0.518 7.767 8.360 -0.124 0.000 0.514 174 L N -1.760 119.376 121.223 -0.144 0.000 2.408 174 L HA -0.016 4.248 4.340 -0.127 0.000 0.215 174 L C 1.331 178.185 176.870 -0.027 0.000 1.081 174 L CA 1.465 56.240 54.840 -0.109 0.000 0.840 174 L CB 0.015 42.003 42.059 -0.119 0.000 1.002 174 L HN -0.590 7.390 8.230 -0.160 0.154 0.468 175 A N -0.718 122.084 122.820 -0.030 0.000 2.016 175 A HA -0.106 4.245 4.320 0.053 0.000 0.217 175 A C 1.404 178.986 177.584 -0.003 0.000 1.162 175 A CA 2.676 54.720 52.037 0.012 0.000 0.662 175 A CB -0.446 18.559 19.000 0.008 0.000 0.812 175 A HN -0.381 7.731 8.150 -0.063 0.000 0.450 176 V N -1.620 118.276 119.914 -0.030 0.000 2.788 176 V HA -0.319 3.788 4.120 -0.022 0.000 0.251 176 V C 1.264 177.336 176.094 -0.037 0.000 1.068 176 V CA 3.252 65.532 62.300 -0.032 0.000 1.090 176 V CB -0.360 31.436 31.823 -0.045 0.000 0.710 176 V HN -0.625 7.515 8.190 -0.045 0.023 0.467 177 A N -1.747 121.044 122.820 -0.048 0.000 2.081 177 A HA -0.087 4.198 4.320 -0.059 0.000 0.214 177 A C 0.825 178.393 177.584 -0.028 0.000 1.158 177 A CA 2.268 54.272 52.037 -0.055 0.000 0.724 177 A CB -0.558 18.387 19.000 -0.092 0.000 0.826 177 A HN -0.224 7.796 8.150 -0.053 0.098 0.463 178 E N 0.365 120.565 120.200 -0.000 0.000 2.021 178 E HA -0.107 4.502 4.350 0.020 -0.247 0.189 178 E C 2.590 179.198 176.600 0.013 0.000 0.980 178 E CA 2.186 58.600 56.400 0.023 0.000 0.803 178 E CB 0.007 29.745 29.700 0.065 0.000 0.766 178 E HN -0.456 7.906 8.360 0.003 0.000 0.449 179 E N 0.018 120.226 120.200 0.014 0.000 2.130 179 E HA -0.284 4.074 4.350 0.013 0.000 0.196 179 E C 2.649 179.247 176.600 -0.003 0.000 0.998 179 E CA 2.424 58.829 56.400 0.008 0.000 0.806 179 E CB -0.463 29.241 29.700 0.007 0.000 0.738 179 E HN -0.573 7.797 8.360 0.017 0.000 0.459 180 M N -2.751 116.842 119.600 -0.012 0.000 2.159 180 M HA -0.243 4.226 4.480 -0.018 0.000 0.263 180 M C 0.638 176.925 176.300 -0.022 0.000 1.063 180 M CA 3.346 58.634 55.300 -0.021 0.000 1.110 180 M CB 0.808 33.389 32.600 -0.032 0.000 1.374 180 M HN -0.684 7.584 8.290 -0.014 0.013 0.411 181 T N -7.710 106.831 114.554 -0.022 0.000 3.266 181 T HA 0.275 4.608 4.350 -0.028 0.000 0.278 181 T C 0.263 174.949 174.700 -0.024 0.000 1.010 181 T CA -1.673 60.411 62.100 -0.027 0.000 0.909 181 T CB -1.013 67.833 68.868 -0.037 0.000 1.122 181 T HN -0.420 7.705 8.240 -0.018 0.104 0.536 182 K N 0.360 120.753 120.400 -0.012 0.000 2.362 182 K HA -0.208 4.109 4.320 -0.006 0.000 0.200 182 K C 0.609 177.201 176.600 -0.014 0.000 1.046 182 K CA 2.553 58.836 56.287 -0.006 0.000 0.952 182 K CB -0.781 31.722 32.500 0.006 0.000 0.753 182 K HN -0.618 7.627 8.250 -0.008 0.000 0.466 183 S N -3.527 112.162 115.700 -0.017 0.000 2.502 183 S HA -0.045 4.417 4.470 -0.014 0.000 0.215 183 S C 0.209 174.792 174.600 -0.028 0.000 1.009 183 S CA -0.295 57.895 58.200 -0.017 0.000 0.908 183 S CB 0.472 63.665 63.200 -0.011 0.000 0.801 183 S HN -0.150 8.095 8.310 -0.018 0.055 0.505 184 N N 2.555 121.233 118.700 -0.037 0.000 2.297 184 N HA -0.089 4.628 4.740 -0.038 0.000 0.232 184 N C -1.011 174.457 175.510 -0.070 0.000 1.311 184 N CA 1.510 54.531 53.050 -0.048 0.000 0.897 184 N CB 0.515 38.971 38.487 -0.051 0.000 1.137 184 N HN -0.788 7.468 8.380 -0.036 0.102 0.449 185 D N -5.237 115.117 120.400 -0.076 0.000 3.048 185 D HA 0.067 4.624 4.640 -0.138 0.000 0.290 185 D C -0.322 175.921 176.300 -0.095 0.000 1.667 185 D CA -0.021 53.920 54.000 -0.098 0.000 0.835 185 D CB -0.065 40.696 40.800 -0.065 0.000 1.438 185 D HN -0.169 8.162 8.370 -0.065 0.000 0.463 186 V N 0.843 120.704 119.914 -0.087 0.000 2.878 186 V HA 0.060 4.150 4.120 -0.051 0.000 0.250 186 V C -0.451 175.586 176.094 -0.094 0.000 1.075 186 V CA 2.232 64.493 62.300 -0.065 0.000 1.096 186 V CB 1.056 32.858 31.823 -0.035 0.000 0.724 186 V HN -0.160 7.980 8.190 -0.084 0.000 0.467 187 I N -3.314 117.164 120.570 -0.153 0.000 2.688 187 I HA 0.050 4.240 4.170 -0.282 -0.189 0.287 187 I C -2.814 173.141 176.117 -0.271 0.000 1.707 187 I CA -0.036 61.139 61.300 -0.207 0.000 1.043 187 I CB 2.637 40.585 38.000 -0.087 0.000 1.540 187 I HN -0.760 7.354 8.210 -0.161 0.000 0.463 188 T N 10.106 124.369 114.554 -0.485 0.000 2.767 188 T HA 0.363 4.724 4.350 -0.306 -0.195 0.288 188 T C -0.833 173.776 174.700 -0.152 0.000 0.963 188 T CA 0.169 62.004 62.100 -0.442 0.000 1.019 188 T CB 0.853 69.147 68.868 -0.956 0.000 0.923 188 T HN 0.228 8.056 8.240 -0.687 0.000 0.468 189 I N 7.589 128.143 120.570 -0.026 0.000 2.307 189 I HA 0.248 4.690 4.170 0.110 -0.206 0.287 189 I C -1.484 174.726 176.117 0.156 0.000 1.054 189 I CA -1.182 60.171 61.300 0.090 0.000 1.218 189 I CB 0.339 38.402 38.000 0.106 0.000 1.398 189 I HN 0.454 8.642 8.210 -0.038 0.000 0.475 190 N N 7.137 125.955 118.700 0.197 0.000 2.415 190 N HA 0.079 4.946 4.740 0.213 0.000 0.250 190 N C -0.936 174.705 175.510 0.218 0.000 1.127 190 N CA -0.810 52.368 53.050 0.213 0.000 0.945 190 N CB -0.253 38.358 38.487 0.207 0.000 1.196 190 N HN -0.118 8.394 8.380 0.220 0.000 0.499 191 Y N 6.436 126.827 120.300 0.152 0.000 2.480 191 Y HA -0.110 4.521 4.550 0.135 0.000 0.341 191 Y C -1.833 174.214 175.900 0.245 0.000 1.031 191 Y CA 1.618 59.819 58.100 0.169 0.000 1.295 191 Y CB 1.090 39.642 38.460 0.153 0.000 1.162 191 Y HN 0.182 8.701 8.280 0.399 0.000 0.523 192 C N 7.975 127.378 119.300 0.173 0.000 2.250 192 C HA 0.519 5.425 4.460 0.359 -0.231 0.319 192 C C -1.709 173.495 174.990 0.358 0.000 1.124 192 C CA -1.416 57.781 59.018 0.297 0.000 1.527 192 C CB 0.101 27.993 27.740 0.253 0.000 2.001 192 C HN -0.043 8.146 8.230 -0.067 0.000 0.435 193 V N 3.626 123.870 119.914 0.550 0.000 2.495 193 V HA 0.169 4.613 4.120 0.364 -0.106 0.298 193 V C -0.678 175.774 176.094 0.597 0.000 1.031 193 V CA -1.992 60.591 62.300 0.472 0.000 0.871 193 V CB 1.526 33.551 31.823 0.336 0.000 0.988 193 V HN -0.363 8.262 8.190 0.726 0.000 0.432 194 N N 5.200 124.237 118.700 0.562 0.000 2.746 194 N HA -0.444 4.658 4.740 0.603 0.000 0.250 194 N C -2.186 173.649 175.510 0.541 0.000 1.055 194 N CA 1.166 54.579 53.050 0.605 0.000 0.699 194 N CB -1.092 37.791 38.487 0.661 0.000 0.919 194 N HN 0.114 8.745 8.380 0.572 0.092 0.548 195 Y N 0.028 120.560 120.300 0.388 0.000 2.352 195 Y HA 0.267 4.997 4.550 0.301 0.000 0.339 195 Y C -2.369 173.753 175.900 0.370 0.000 0.992 195 Y CA -1.521 56.806 58.100 0.378 0.000 1.100 195 Y CB 3.462 42.198 38.460 0.459 0.000 1.192 195 Y HN -0.650 7.979 8.280 0.581 0.000 0.458 196 G N 5.238 113.801 108.800 -0.394 0.000 2.737 196 G HA2 0.209 4.126 3.960 -0.072 0.000 0.290 196 G HA3 0.209 4.175 3.960 0.010 0.000 0.290 196 G C -1.235 173.340 174.900 -0.542 0.000 1.482 196 G CA -1.149 43.805 45.100 -0.243 0.000 1.017 196 G HN 0.091 8.036 8.290 -0.575 0.000 0.529 197 G N 4.430 113.044 108.800 -0.310 0.000 2.476 197 G HA2 -0.377 3.677 3.960 0.059 0.000 0.218 197 G HA3 -0.377 3.437 3.960 -0.243 0.000 0.218 197 G C 0.803 175.655 174.900 -0.079 0.000 1.164 197 G CA 1.733 46.749 45.100 -0.140 0.000 0.768 197 G HN 0.309 8.576 8.290 -0.039 0.000 0.560 198 R N 0.218 120.702 120.500 -0.027 0.000 2.105 198 R HA -0.330 4.022 4.340 0.020 0.000 0.239 198 R C 2.444 178.720 176.300 -0.039 0.000 1.135 198 R CA 3.711 59.808 56.100 -0.005 0.000 0.967 198 R CB -0.309 30.001 30.300 0.016 0.000 0.861 198 R HN -0.627 7.819 8.270 -0.005 -0.179 0.442 199 T N 0.828 115.339 114.554 -0.072 0.000 2.904 199 T HA -0.286 4.042 4.350 -0.037 0.000 0.267 199 T C 1.592 176.232 174.700 -0.100 0.000 1.059 199 T CA 4.737 66.797 62.100 -0.066 0.000 1.137 199 T CB -0.757 68.085 68.868 -0.044 0.000 0.879 199 T HN -0.691 7.392 8.240 -0.090 0.103 0.467 200 E N 3.264 123.360 120.200 -0.174 0.000 2.072 200 E HA -0.225 4.038 4.350 -0.144 0.000 0.191 200 E C 2.090 178.614 176.600 -0.128 0.000 0.985 200 E CA 2.833 59.134 56.400 -0.165 0.000 0.801 200 E CB -0.071 29.500 29.700 -0.215 0.000 0.750 200 E HN -0.274 7.946 8.360 -0.235 0.000 0.452 201 I N -1.621 118.885 120.570 -0.106 0.000 2.394 201 I HA -0.414 3.643 4.170 -0.189 0.000 0.251 201 I C 1.673 177.733 176.117 -0.096 0.000 1.136 201 I CA 4.042 65.275 61.300 -0.112 0.000 1.425 201 I CB 0.009 37.999 38.000 -0.016 0.000 1.079 201 I HN -0.186 7.893 8.210 -0.089 0.078 0.425 202 T N 1.983 116.498 114.554 -0.065 0.000 2.851 202 T HA -0.298 4.024 4.350 -0.046 0.000 0.262 202 T C 1.781 176.447 174.700 -0.057 0.000 1.043 202 T CA 5.269 67.339 62.100 -0.049 0.000 1.140 202 T CB -0.427 68.424 68.868 -0.029 0.000 0.872 202 T HN -0.346 7.733 8.240 -0.061 0.124 0.446 203 E N 1.780 121.945 120.200 -0.059 0.000 2.077 203 E HA -0.360 3.967 4.350 -0.038 0.000 0.193 203 E C 1.908 178.469 176.600 -0.066 0.000 0.989 203 E CA 3.295 59.665 56.400 -0.050 0.000 0.800 203 E CB -0.081 29.593 29.700 -0.042 0.000 0.746 203 E HN -0.431 7.891 8.360 -0.063 0.000 0.452 204 A N -1.459 121.306 122.820 -0.091 0.000 1.908 204 A HA -0.180 4.244 4.320 -0.064 -0.141 0.218 204 A C 2.189 179.701 177.584 -0.120 0.000 1.181 204 A CA 3.113 55.089 52.037 -0.101 0.000 0.627 204 A CB -0.542 18.356 19.000 -0.170 0.000 0.818 204 A HN -0.331 7.757 8.150 -0.103 0.000 0.445 205 T N 0.423 114.908 114.554 -0.114 0.000 2.821 205 T HA -0.346 3.932 4.350 -0.119 0.000 0.267 205 T C 2.169 176.810 174.700 -0.098 0.000 1.046 205 T CA 4.928 66.965 62.100 -0.104 0.000 1.139 205 T CB -0.303 68.521 68.868 -0.072 0.000 0.871 205 T HN -0.537 7.542 8.240 -0.107 0.096 0.454 206 R N 1.170 121.623 120.500 -0.079 0.000 2.073 206 R HA -0.390 3.915 4.340 -0.059 0.000 0.234 206 R C 2.173 178.420 176.300 -0.089 0.000 1.134 206 R CA 3.982 60.042 56.100 -0.067 0.000 0.952 206 R CB -0.195 30.078 30.300 -0.044 0.000 0.850 206 R HN -0.098 8.034 8.270 -0.072 0.095 0.433 207 E N -0.808 119.330 120.200 -0.105 0.000 2.058 207 E HA -0.373 3.925 4.350 -0.087 0.000 0.194 207 E C 2.526 178.981 176.600 -0.242 0.000 0.997 207 E CA 2.923 59.244 56.400 -0.131 0.000 0.801 207 E CB -0.310 29.336 29.700 -0.091 0.000 0.746 207 E HN -0.537 7.767 8.360 -0.094 0.000 0.450 208 I N -0.624 119.733 120.570 -0.355 0.000 2.113 208 I HA -0.551 3.284 4.170 -0.558 0.000 0.242 208 I C 1.925 177.922 176.117 -0.200 0.000 1.064 208 I CA 3.679 64.748 61.300 -0.385 0.000 1.320 208 I CB -0.438 37.387 38.000 -0.292 0.000 1.028 208 I HN -0.531 7.482 8.210 -0.329 0.000 0.406 209 A N -1.540 121.198 122.820 -0.137 0.000 1.933 209 A HA -0.322 3.952 4.320 -0.077 0.000 0.218 209 A C 2.080 179.621 177.584 -0.072 0.000 1.175 209 A CA 3.022 55.008 52.037 -0.085 0.000 0.628 209 A CB -0.793 18.169 19.000 -0.064 0.000 0.814 209 A HN -0.478 7.519 8.150 -0.135 0.073 0.444 210 R N -2.256 118.198 120.500 -0.076 0.000 2.120 210 R HA -0.374 3.942 4.340 -0.041 0.000 0.234 210 R C 2.580 178.849 176.300 -0.051 0.000 1.123 210 R CA 3.509 59.577 56.100 -0.053 0.000 0.975 210 R CB -0.226 30.046 30.300 -0.046 0.000 0.866 210 R HN -0.018 8.111 8.270 -0.090 0.087 0.446 211 E N -0.198 119.956 120.200 -0.077 0.000 2.107 211 E HA -0.242 4.086 4.350 -0.037 0.000 0.191 211 E C 2.279 178.853 176.600 -0.044 0.000 0.982 211 E CA 2.954 59.318 56.400 -0.059 0.000 0.809 211 E CB -0.012 29.636 29.700 -0.087 0.000 0.756 211 E HN -0.438 7.740 8.360 -0.110 0.116 0.459 212 V N -1.357 118.525 119.914 -0.054 0.000 2.913 212 V HA -0.265 3.993 4.120 -0.030 -0.156 0.260 212 V C 1.519 177.597 176.094 -0.026 0.000 1.098 212 V CA 3.414 65.692 62.300 -0.037 0.000 1.121 212 V CB -0.512 31.287 31.823 -0.041 0.000 0.714 212 V HN -0.412 7.653 8.190 -0.070 0.083 0.487 213 A N -0.196 122.608 122.820 -0.027 0.000 1.943 213 A HA -0.021 4.288 4.320 -0.017 0.000 0.213 213 A C 0.821 178.396 177.584 -0.014 0.000 1.181 213 A CA 2.182 54.207 52.037 -0.020 0.000 0.653 213 A CB -0.528 18.459 19.000 -0.020 0.000 0.833 213 A HN -0.586 7.388 8.150 -0.033 0.156 0.451 214 A N -2.907 119.904 122.820 -0.014 0.000 2.235 214 A HA -0.022 4.294 4.320 -0.007 0.000 0.208 214 A C 0.722 178.302 177.584 -0.006 0.000 1.172 214 A CA -0.091 51.941 52.037 -0.009 0.000 0.786 214 A CB -0.175 18.821 19.000 -0.007 0.000 0.804 214 A HN -0.533 7.606 8.150 -0.018 0.000 0.479 215 G N -2.029 106.766 108.800 -0.009 0.000 2.162 215 G HA2 -0.301 3.657 3.960 -0.004 0.000 0.260 215 G HA3 -0.301 3.655 3.960 -0.007 0.000 0.260 215 G C 0.582 175.480 174.900 -0.003 0.000 0.976 215 G CA 0.863 45.959 45.100 -0.006 0.000 0.655 215 G HN -0.305 7.795 8.290 -0.012 0.183 0.533 216 R N -2.545 117.953 120.500 -0.003 0.000 2.359 216 R HA 0.177 4.520 4.340 0.005 0.000 0.231 216 R C -0.860 175.443 176.300 0.005 0.000 0.913 216 R CA -0.236 55.866 56.100 0.003 0.000 1.075 216 R CB 0.768 31.072 30.300 0.008 0.000 1.087 216 R HN -0.215 8.006 8.270 -0.006 0.045 0.515 217 L N -0.964 120.256 121.223 -0.004 0.000 2.393 217 L HA 0.235 4.580 4.340 0.008 0.000 0.260 217 L C -2.421 174.445 176.870 -0.006 0.000 1.002 217 L CA -1.149 53.689 54.840 -0.003 0.000 0.818 217 L CB 4.379 46.427 42.059 -0.019 0.000 1.369 217 L HN -0.823 7.356 8.230 -0.010 0.045 0.412 218 N N 2.490 121.190 118.700 -0.000 0.000 2.407 218 N HA 0.428 5.166 4.740 -0.003 0.000 0.277 218 N C -1.001 174.508 175.510 -0.001 0.000 0.995 218 N CA -3.088 49.961 53.050 -0.001 0.000 0.903 218 N CB 0.733 39.223 38.487 0.004 0.000 1.218 218 N HN 0.143 8.527 8.380 0.005 0.000 0.487 219 P HA -0.202 4.213 4.420 -0.008 0.000 0.216 219 P C 0.809 178.111 177.300 0.004 0.000 1.150 219 P CA 2.106 65.203 63.100 -0.004 0.000 0.843 219 P CB 0.247 31.944 31.700 -0.006 0.000 0.787 220 E N -2.521 117.683 120.200 0.006 0.000 2.358 220 E HA -0.051 4.305 4.350 0.011 0.000 0.195 220 E C 0.911 177.519 176.600 0.013 0.000 1.010 220 E CA 0.902 57.308 56.400 0.010 0.000 0.856 220 E CB -0.892 28.813 29.700 0.008 0.000 0.795 220 E HN -0.546 8.016 8.360 0.004 -0.200 0.504 221 R N -1.860 118.648 120.500 0.014 0.000 2.466 221 R HA 0.133 4.485 4.340 0.019 0.000 0.279 221 R C -0.674 175.641 176.300 0.025 0.000 0.976 221 R CA -0.508 55.603 56.100 0.018 0.000 1.081 221 R CB 0.381 30.691 30.300 0.017 0.000 1.215 221 R HN -0.567 7.548 8.270 0.011 0.161 0.546 222 I N -1.489 119.095 120.570 0.023 0.000 2.713 222 I HA -0.175 4.018 4.170 0.038 0.000 0.300 222 I C -0.232 175.910 176.117 0.041 0.000 1.009 222 I CA 0.430 61.748 61.300 0.030 0.000 1.305 222 I CB 0.970 38.980 38.000 0.017 0.000 1.430 222 I HN -0.817 7.242 8.210 0.018 0.161 0.546 223 T N 1.499 116.087 114.554 0.056 0.000 2.711 223 T HA 0.176 4.566 4.350 0.067 0.000 0.302 223 T C -0.518 174.246 174.700 0.106 0.000 1.373 223 T CA -1.768 60.374 62.100 0.071 0.000 1.000 223 T CB 3.038 71.944 68.868 0.062 0.000 1.483 223 T HN -0.799 7.478 8.240 0.061 0.000 0.499 224 E N 0.977 121.262 120.200 0.140 0.000 2.153 224 E HA -0.262 4.268 4.350 0.300 0.000 0.194 224 E C 1.066 177.830 176.600 0.273 0.000 0.988 224 E CA 3.253 59.803 56.400 0.248 0.000 0.811 224 E CB -0.029 29.806 29.700 0.225 0.000 0.746 224 E HN 0.410 8.842 8.360 0.120 0.000 0.466 225 S N -4.487 111.313 115.700 0.166 0.000 2.496 225 S HA -0.082 4.492 4.470 0.174 0.000 0.224 225 S C 1.746 176.382 174.600 0.061 0.000 0.996 225 S CA 1.913 60.189 58.200 0.126 0.000 0.927 225 S CB -0.127 63.122 63.200 0.082 0.000 0.774 225 S HN -0.144 8.225 8.310 0.130 0.018 0.524 226 T N 5.196 119.793 114.554 0.072 0.000 2.962 226 T HA -0.252 4.146 4.350 0.079 0.000 0.270 226 T C 0.755 175.523 174.700 0.113 0.000 1.088 226 T CA 4.350 66.509 62.100 0.098 0.000 1.127 226 T CB -0.210 68.725 68.868 0.111 0.000 0.883 226 T HN -0.422 7.725 8.240 0.085 0.143 0.493 227 I N -0.279 120.276 120.570 -0.025 0.000 2.400 227 I HA -0.338 3.736 4.170 -0.160 0.000 0.248 227 I C 1.010 176.900 176.117 -0.378 0.000 1.109 227 I CA 2.922 64.071 61.300 -0.252 0.000 1.425 227 I CB -0.077 37.589 38.000 -0.558 0.000 1.094 227 I HN -0.885 7.301 8.210 0.004 0.026 0.425 228 A N -0.439 122.235 122.820 -0.243 0.000 1.892 228 A HA -0.394 3.765 4.320 -0.269 0.000 0.218 228 A C 2.093 179.573 177.584 -0.173 0.000 1.188 228 A CA 3.251 55.193 52.037 -0.159 0.000 0.631 228 A CB -0.962 18.080 19.000 0.070 0.000 0.822 228 A HN -0.671 7.357 8.150 -0.086 0.071 0.447 229 R N -4.442 115.953 120.500 -0.174 0.000 2.148 229 R HA -0.248 3.959 4.340 -0.223 0.000 0.227 229 R C 1.484 177.539 176.300 -0.409 0.000 1.103 229 R CA 2.290 58.217 56.100 -0.288 0.000 0.983 229 R CB 0.229 30.311 30.300 -0.364 0.000 0.874 229 R HN -0.403 7.787 8.270 -0.134 0.000 0.451 230 H N -3.640 115.343 119.070 -0.145 0.000 2.542 230 H HA 0.096 4.589 4.556 -0.105 0.000 0.283 230 H C -1.116 174.107 175.328 -0.176 0.000 1.059 230 H CA -0.063 55.902 56.048 -0.139 0.000 1.162 230 H CB 0.483 30.167 29.762 -0.129 0.000 1.539 230 H HN -0.670 7.368 8.280 -0.143 0.156 0.543 231 L N -1.101 120.032 121.223 -0.149 0.000 2.476 231 L HA -0.103 4.138 4.340 -0.164 0.000 0.255 231 L C 0.720 177.528 176.870 -0.103 0.000 1.218 231 L CA 0.255 54.996 54.840 -0.165 0.000 0.819 231 L CB 0.817 42.741 42.059 -0.225 0.000 1.119 231 L HN -0.706 7.407 8.230 -0.195 0.000 0.485 232 Q N 0.075 119.819 119.800 -0.093 0.000 2.030 232 Q HA -0.255 4.042 4.340 -0.071 0.000 0.204 232 Q C 0.413 176.371 176.000 -0.069 0.000 0.986 232 Q CA 2.011 57.762 55.803 -0.085 0.000 0.843 232 Q CB 0.283 28.944 28.738 -0.128 0.000 0.904 232 Q HN 0.120 8.332 8.270 -0.097 0.000 0.420 233 R N -2.483 117.979 120.500 -0.063 0.000 2.471 233 R HA 0.420 4.746 4.340 -0.024 0.000 0.292 233 R C -1.539 174.726 176.300 -0.057 0.000 1.192 233 R CA -3.547 52.531 56.100 -0.037 0.000 1.257 233 R CB -1.273 29.022 30.300 -0.008 0.000 1.130 233 R HN -0.147 8.085 8.270 -0.065 0.000 0.558 234 P HA -0.171 4.187 4.420 -0.104 0.000 0.218 234 P C -0.527 176.726 177.300 -0.079 0.000 1.147 234 P CA 1.612 64.663 63.100 -0.081 0.000 0.827 234 P CB 0.249 31.906 31.700 -0.072 0.000 0.778 235 D N -4.349 116.019 120.400 -0.053 0.000 2.587 235 D HA -0.039 4.559 4.640 -0.071 0.000 0.233 235 D C -0.776 175.359 176.300 -0.275 0.000 1.213 235 D CA -0.967 53.001 54.000 -0.052 0.000 0.827 235 D CB -1.054 39.813 40.800 0.110 0.000 1.006 235 D HN -0.103 8.179 8.370 -0.025 0.073 0.490 236 I N 0.775 121.126 120.570 -0.365 0.000 2.328 236 I HA 0.255 3.732 4.170 -1.155 0.000 0.287 236 I C -2.343 173.396 176.117 -0.631 0.000 1.012 236 I CA -2.902 57.998 61.300 -0.666 0.000 1.195 236 I CB 1.217 39.000 38.000 -0.362 0.000 1.350 236 I HN -0.829 7.170 8.210 -0.244 0.064 0.464 237 P HA 0.021 4.204 4.420 -0.396 0.000 0.270 237 P C -1.760 175.343 177.300 -0.329 0.000 1.223 237 P CA -0.687 62.066 63.100 -0.579 0.000 0.785 237 P CB 0.581 31.849 31.700 -0.721 0.000 0.923 238 D N 0.081 120.401 120.400 -0.132 0.000 2.399 238 D HA -0.196 4.493 4.640 -0.016 -0.059 0.241 238 D C -0.395 175.938 176.300 0.055 0.000 1.133 238 D CA 0.198 54.183 54.000 -0.023 0.000 0.890 238 D CB 0.361 41.165 40.800 0.006 0.000 1.201 238 D HN 0.002 8.302 8.370 -0.117 0.000 0.432 239 V N 0.406 120.359 119.914 0.066 0.000 2.715 239 V HA -0.216 3.909 4.120 0.009 0.000 0.299 239 V C 0.348 176.403 176.094 -0.066 0.000 1.054 239 V CA 0.993 63.275 62.300 -0.030 0.000 1.077 239 V CB 0.478 32.191 31.823 -0.183 0.000 0.972 239 V HN -0.168 7.925 8.190 0.019 0.108 0.484 240 D N 2.008 122.344 120.400 -0.106 0.000 2.457 240 D HA 0.064 4.693 4.640 -0.019 0.000 0.254 240 D C -0.719 175.441 176.300 -0.233 0.000 1.097 240 D CA 0.166 54.119 54.000 -0.078 0.000 0.870 240 D CB 2.693 43.509 40.800 0.027 0.000 1.253 240 D HN -0.083 8.200 8.370 -0.145 0.000 0.500 241 L N 1.061 122.058 121.223 -0.378 0.000 2.356 241 L HA 0.486 4.762 4.340 -0.336 -0.137 0.277 241 L C -3.040 173.674 176.870 -0.260 0.000 0.996 241 L CA -0.358 54.242 54.840 -0.399 0.000 0.822 241 L CB 3.152 44.860 42.059 -0.585 0.000 1.256 241 L HN -0.879 7.142 8.230 -0.348 0.000 0.413 242 F N 8.194 127.906 119.950 -0.396 0.000 2.553 242 F HA 0.617 5.122 4.527 -0.297 -0.157 0.335 242 F C -2.544 173.126 175.800 -0.216 0.000 1.148 242 F CA -1.864 55.920 58.000 -0.361 0.000 0.963 242 F CB 3.326 41.964 39.000 -0.602 0.000 1.217 242 F HN 0.574 8.781 8.300 -0.155 0.000 0.441 243 L N 6.097 127.084 121.223 -0.395 0.000 2.332 243 L HA 0.710 5.220 4.340 -0.020 -0.182 0.269 243 L C -1.378 175.411 176.870 -0.134 0.000 1.016 243 L CA -1.586 53.164 54.840 -0.151 0.000 0.809 243 L CB 2.995 44.993 42.059 -0.102 0.000 1.280 243 L HN 0.887 8.761 8.230 -0.594 0.000 0.447 244 R N -0.589 120.003 120.500 0.153 0.000 2.522 244 R HA 0.547 5.083 4.340 0.045 -0.169 0.273 244 R C -1.224 175.209 176.300 0.222 0.000 1.133 244 R CA -0.405 55.822 56.100 0.212 0.000 0.969 244 R CB 3.332 33.932 30.300 0.501 0.000 1.235 244 R HN 0.381 8.783 8.270 0.219 0.000 0.433 245 T N 3.438 118.068 114.554 0.125 0.000 2.849 245 T HA 0.439 5.035 4.350 0.224 -0.112 0.276 245 T C 0.715 175.508 174.700 0.155 0.000 0.971 245 T CA -1.730 60.478 62.100 0.179 0.000 0.949 245 T CB 1.827 70.829 68.868 0.223 0.000 1.093 245 T HN -0.293 7.978 8.240 0.051 0.000 0.545 246 S N 0.422 116.224 115.700 0.169 0.000 2.929 246 S HA -0.458 4.233 4.470 0.136 -0.139 0.271 246 S C 0.724 175.381 174.600 0.096 0.000 1.295 246 S CA 1.309 59.585 58.200 0.127 0.000 1.277 246 S CB -0.602 62.657 63.200 0.098 0.000 1.557 246 S HN 0.661 8.986 8.310 0.202 0.106 0.666 247 G N -0.295 108.572 108.800 0.112 0.000 2.160 247 G HA2 -0.340 3.788 3.960 0.071 0.000 0.244 247 G HA3 -0.340 3.794 3.960 0.116 -0.104 0.244 247 G C -0.191 174.698 174.900 -0.018 0.000 1.022 247 G CA 0.207 45.353 45.100 0.076 0.000 0.741 247 G HN -0.076 8.201 8.290 0.146 0.101 0.508 248 E N 0.405 120.586 120.200 -0.032 0.000 2.313 248 E HA 0.002 4.273 4.350 -0.131 0.000 0.276 248 E C -0.411 175.959 176.600 -0.384 0.000 1.031 248 E CA -0.487 55.838 56.400 -0.125 0.000 0.857 248 E CB 0.653 30.327 29.700 -0.042 0.000 1.040 248 E HN -0.658 7.717 8.360 0.024 0.000 0.408 249 Q N 2.788 122.246 119.800 -0.570 0.000 2.842 249 Q HA 0.150 3.022 4.340 -2.446 0.000 0.323 249 Q C -1.382 174.262 176.000 -0.592 0.000 1.111 249 Q CA -0.410 54.651 55.803 -1.236 0.000 1.047 249 Q CB -0.413 27.741 28.738 -0.973 0.000 1.280 249 Q HN 0.268 8.307 8.270 -0.385 0.000 0.475 250 R N -0.265 120.081 120.500 -0.257 0.000 2.739 250 R HA 0.319 4.607 4.340 -0.086 0.000 0.271 250 R C -0.323 176.086 176.300 0.182 0.000 1.010 250 R CA -1.704 54.375 56.100 -0.036 0.000 0.897 250 R CB 1.943 32.225 30.300 -0.029 0.000 1.236 250 R HN -0.529 7.634 8.270 -0.177 0.000 0.466 251 S N 0.997 116.762 115.700 0.109 0.000 2.470 251 S HA -0.076 4.567 4.470 0.288 0.000 0.222 251 S C 0.598 175.371 174.600 0.289 0.000 1.024 251 S CA 1.287 59.584 58.200 0.161 0.000 0.931 251 S CB 0.109 63.267 63.200 -0.069 0.000 0.791 251 S HN 0.483 8.806 8.310 0.021 0.000 0.513 252 S N 1.677 117.496 115.700 0.199 0.000 3.581 252 S HA -0.305 4.262 4.470 0.163 0.000 0.354 252 S C -0.826 173.943 174.600 0.283 0.000 1.059 252 S CA 0.897 59.234 58.200 0.228 0.000 1.060 252 S CB -1.318 62.049 63.200 0.278 0.000 0.908 252 S HN 0.101 8.491 8.310 0.132 0.000 0.475 253 N N -4.883 113.945 118.700 0.213 0.000 2.948 253 N HA -0.376 4.457 4.740 0.156 0.000 0.239 253 N C -1.507 174.187 175.510 0.308 0.000 0.954 253 N CA 1.669 54.849 53.050 0.215 0.000 0.941 253 N CB -0.340 38.274 38.487 0.213 0.000 1.101 253 N HN -0.419 8.031 8.380 0.163 0.028 0.579 254 F N 1.482 121.443 119.950 0.018 0.000 2.412 254 F HA 0.047 4.427 4.527 -0.245 0.000 0.348 254 F C 0.029 175.839 175.800 0.015 0.000 1.102 254 F CA 0.475 58.336 58.000 -0.232 0.000 1.196 254 F CB 1.007 39.606 39.000 -0.669 0.000 1.144 254 F HN -0.816 7.634 8.300 0.328 0.047 0.541 255 M N 2.321 121.607 119.600 -0.523 0.000 2.259 255 M HA -0.426 4.021 4.480 -0.221 -0.099 0.188 255 M C -0.311 175.951 176.300 -0.063 0.000 0.665 255 M CA 0.525 55.582 55.300 -0.405 0.000 0.464 255 M CB -3.080 29.057 32.600 -0.772 0.000 1.063 255 M HN 0.394 8.262 8.290 -0.702 0.000 0.912 256 L N 1.646 122.938 121.223 0.115 0.000 1.948 256 L HA -0.259 4.092 4.340 0.018 0.000 0.212 256 L C 1.816 178.721 176.870 0.059 0.000 1.074 256 L CA 3.934 58.819 54.840 0.074 0.000 0.753 256 L CB -0.042 42.084 42.059 0.112 0.000 0.888 256 L HN -0.504 7.866 8.230 0.233 0.000 0.432 257 W N -1.797 119.471 121.300 -0.054 0.000 2.304 257 W HA -0.531 4.077 4.660 -0.086 0.000 0.315 257 W C 1.699 178.153 176.519 -0.108 0.000 1.233 257 W CA 3.287 60.586 57.345 -0.076 0.000 1.261 257 W CB -0.201 29.229 29.460 -0.051 0.000 1.150 257 W HN 0.018 8.403 8.180 0.341 0.000 0.494 258 Q N -3.865 115.988 119.800 0.087 0.000 2.230 258 Q HA -0.170 4.322 4.340 -0.009 -0.157 0.202 258 Q C 1.663 177.592 176.000 -0.119 0.000 0.963 258 Q CA 2.492 58.287 55.803 -0.013 0.000 0.866 258 Q CB -0.165 28.583 28.738 0.017 0.000 0.931 258 Q HN 0.116 8.466 8.270 0.146 0.009 0.452 259 A N -2.671 120.055 122.820 -0.157 0.000 2.532 259 A HA 0.300 4.503 4.320 -0.196 0.000 0.273 259 A C -0.845 176.589 177.584 -0.250 0.000 1.342 259 A CA -1.451 50.460 52.037 -0.210 0.000 0.929 259 A CB -1.217 17.643 19.000 -0.234 0.000 1.051 259 A HN -0.190 7.880 8.150 -0.134 0.000 0.521 260 A N -0.050 122.561 122.820 -0.347 0.000 1.897 260 A HA -0.190 3.915 4.320 -0.359 0.000 0.215 260 A C 0.652 177.945 177.584 -0.485 0.000 1.181 260 A CA 2.576 54.310 52.037 -0.505 0.000 0.620 260 A CB 0.060 18.552 19.000 -0.846 0.000 0.821 260 A HN -0.263 7.586 8.150 -0.372 0.078 0.443 261 Y N -3.153 117.079 120.300 -0.114 0.000 2.524 261 Y HA -0.011 4.510 4.550 -0.049 0.000 0.266 261 Y C -0.916 174.937 175.900 -0.079 0.000 1.180 261 Y CA -2.594 55.461 58.100 -0.075 0.000 1.244 261 Y CB -0.263 38.151 38.460 -0.076 0.000 1.125 261 Y HN 0.036 8.124 8.280 -0.318 0.000 0.524 262 A N -0.568 122.209 122.820 -0.072 0.000 2.425 262 A HA -0.076 4.278 4.320 -0.104 -0.096 0.242 262 A C -0.778 176.671 177.584 -0.223 0.000 1.077 262 A CA -0.468 51.452 52.037 -0.195 0.000 0.781 262 A CB 0.746 19.513 19.000 -0.388 0.000 1.020 262 A HN -0.553 7.334 8.150 -0.145 0.176 0.494 263 E N 2.251 122.354 120.200 -0.160 0.000 2.191 263 E HA 0.221 4.600 4.350 0.050 0.000 0.278 263 E C -1.411 175.064 176.600 -0.209 0.000 0.972 263 E CA -1.281 55.091 56.400 -0.048 0.000 0.804 263 E CB 2.455 32.238 29.700 0.138 0.000 1.110 263 E HN -0.181 7.994 8.360 -0.118 0.114 0.394 264 Y N 2.463 122.693 120.300 -0.116 0.000 2.342 264 Y HA 0.487 5.158 4.550 -0.179 -0.228 0.338 264 Y C 0.279 175.899 175.900 -0.466 0.000 0.965 264 Y CA -1.421 56.480 58.100 -0.333 0.000 1.159 264 Y CB 0.938 39.051 38.460 -0.579 0.000 1.157 264 Y HN 0.286 8.728 8.280 0.270 0.000 0.486 265 I N 4.981 125.406 120.570 -0.241 0.000 2.359 265 I HA 0.160 4.257 4.170 -0.122 0.000 0.284 265 I C -1.420 174.618 176.117 -0.130 0.000 1.018 265 I CA -0.740 60.474 61.300 -0.144 0.000 1.173 265 I CB 0.802 38.812 38.000 0.016 0.000 1.326 265 I HN -0.172 7.938 8.210 -0.167 0.000 0.462 266 F N 7.464 127.532 119.950 0.197 0.000 2.394 266 F HA 0.295 4.936 4.527 0.191 0.000 0.340 266 F C 0.201 176.093 175.800 0.154 0.000 1.105 266 F CA -1.142 56.965 58.000 0.178 0.000 1.124 266 F CB 0.984 40.078 39.000 0.157 0.000 1.145 266 F HN 0.366 8.681 8.300 0.027 0.000 0.505 267 Q N 1.934 121.949 119.800 0.358 0.000 2.416 267 Q HA 0.298 4.781 4.340 0.238 0.000 0.279 267 Q C -0.785 175.357 176.000 0.236 0.000 1.101 267 Q CA -1.314 54.652 55.803 0.272 0.000 0.830 267 Q CB 3.704 32.623 28.738 0.302 0.000 1.402 267 Q HN 0.034 8.533 8.270 0.381 0.000 0.445 268 D N 0.370 120.883 120.400 0.189 0.000 2.277 268 D HA -0.073 4.725 4.640 0.141 -0.073 0.209 268 D C 0.396 176.795 176.300 0.165 0.000 0.970 268 D CA 1.225 55.315 54.000 0.151 0.000 0.874 268 D CB 0.545 41.412 40.800 0.112 0.000 0.982 268 D HN 0.125 8.600 8.370 0.176 0.000 0.504 269 K N -0.399 120.117 120.400 0.193 0.000 2.550 269 K HA -0.228 4.190 4.320 0.163 0.000 0.280 269 K C -0.060 176.692 176.600 0.253 0.000 0.987 269 K CA 0.704 57.117 56.287 0.209 0.000 1.048 269 K CB 0.173 32.808 32.500 0.225 0.000 0.879 269 K HN -0.257 8.110 8.250 0.195 0.000 0.491 270 L N 2.427 123.787 121.223 0.229 0.000 2.452 270 L HA -0.220 4.264 4.340 0.241 0.000 0.267 270 L C 1.858 178.892 176.870 0.272 0.000 1.188 270 L CA -0.062 54.930 54.840 0.253 0.000 0.821 270 L CB 0.435 42.667 42.059 0.287 0.000 1.102 270 L HN 0.445 8.800 8.230 0.208 0.000 0.470 271 W N 3.696 125.021 121.300 0.042 0.000 2.363 271 W HA -0.132 4.533 4.660 0.009 0.000 0.296 271 W C -0.706 175.799 176.519 -0.025 0.000 1.212 271 W CA 4.770 62.110 57.345 -0.009 0.000 1.260 271 W CB -1.958 27.454 29.460 -0.078 0.000 1.131 271 W HN 0.025 8.429 8.180 0.373 0.000 0.530 272 P HA -0.158 3.982 4.420 -0.465 0.000 0.222 272 P C -0.770 176.357 177.300 -0.289 0.000 1.147 272 P CA 1.844 64.657 63.100 -0.479 0.000 0.790 272 P CB -0.527 30.421 31.700 -1.253 0.000 0.780 273 D N -3.777 116.590 120.400 -0.055 0.000 2.340 273 D HA 0.055 4.725 4.640 0.051 0.000 0.220 273 D C -1.479 174.794 176.300 -0.045 0.000 1.039 273 D CA 0.340 54.364 54.000 0.040 0.000 0.866 273 D CB 0.287 41.179 40.800 0.153 0.000 0.913 273 D HN -0.289 7.960 8.370 0.022 0.134 0.523 274 Y N 0.166 120.292 120.300 -0.289 0.000 2.310 274 Y HA 0.071 4.667 4.550 -0.237 -0.188 0.326 274 Y C -1.640 174.002 175.900 -0.429 0.000 1.151 274 Y CA 0.863 58.741 58.100 -0.370 0.000 1.195 274 Y CB 2.352 40.476 38.460 -0.561 0.000 1.210 274 Y HN -0.711 7.296 8.280 -0.145 0.186 0.483 275 D N 1.223 121.311 120.400 -0.520 0.000 2.781 275 D HA 0.447 5.041 4.640 -0.245 -0.101 0.295 275 D C 0.367 176.360 176.300 -0.512 0.000 1.143 275 D CA -1.988 51.784 54.000 -0.380 0.000 1.076 275 D CB 3.027 43.652 40.800 -0.292 0.000 1.444 275 D HN -0.287 7.821 8.370 -0.861 -0.254 0.567 276 R N -2.121 118.047 120.500 -0.554 0.000 2.148 276 R HA -0.316 3.716 4.340 -0.512 0.000 0.227 276 R C 2.135 177.700 176.300 -1.225 0.000 1.103 276 R CA 2.930 58.584 56.100 -0.744 0.000 0.983 276 R CB -0.110 29.782 30.300 -0.681 0.000 0.874 276 R HN -0.234 7.876 8.270 -0.514 -0.148 0.451 277 R N -0.944 118.909 120.500 -1.079 0.000 2.092 277 R HA -0.302 3.556 4.340 -0.803 0.000 0.231 277 R C 2.117 178.167 176.300 -0.418 0.000 1.119 277 R CA 3.402 59.068 56.100 -0.723 0.000 0.970 277 R CB -0.492 29.547 30.300 -0.434 0.000 0.864 277 R HN -0.456 7.367 8.270 -1.012 -0.160 0.440 278 D N -0.539 119.521 120.400 -0.567 0.000 2.117 278 D HA -0.242 4.186 4.640 -0.353 0.000 0.197 278 D C 2.160 178.328 176.300 -0.220 0.000 0.987 278 D CA 3.085 56.756 54.000 -0.549 0.000 0.829 278 D CB -0.331 39.657 40.800 -1.353 0.000 0.961 278 D HN -0.730 7.360 8.370 -0.704 -0.143 0.460 279 L N -0.255 120.884 121.223 -0.139 0.000 2.056 279 L HA -0.204 4.304 4.340 0.280 0.000 0.207 279 L C 1.553 178.525 176.870 0.171 0.000 1.078 279 L CA 2.590 57.512 54.840 0.136 0.000 0.749 279 L CB -0.120 42.017 42.059 0.130 0.000 0.901 279 L HN -0.981 7.074 8.230 -0.291 0.000 0.433 280 W N -1.754 119.553 121.300 0.012 0.000 2.318 280 W HA -0.435 4.237 4.660 0.020 0.000 0.313 280 W C 2.008 178.536 176.519 0.014 0.000 1.221 280 W CA 2.113 59.461 57.345 0.005 0.000 1.266 280 W CB -1.549 27.894 29.460 -0.029 0.000 1.150 280 W HN -0.654 7.476 8.180 -0.085 0.000 0.496 281 A N -3.518 119.441 122.820 0.232 0.000 2.024 281 A HA -0.305 4.101 4.320 0.143 0.000 0.220 281 A C 1.816 179.483 177.584 0.139 0.000 1.164 281 A CA 2.771 54.895 52.037 0.145 0.000 0.643 281 A CB -1.058 17.991 19.000 0.083 0.000 0.806 281 A HN -0.342 7.919 8.150 0.186 0.000 0.451 282 A N -1.851 121.061 122.820 0.153 0.000 1.911 282 A HA 0.029 4.432 4.320 0.138 0.000 0.212 282 A C 1.484 179.165 177.584 0.163 0.000 1.189 282 A CA 1.885 54.010 52.037 0.148 0.000 0.639 282 A CB -0.142 18.945 19.000 0.146 0.000 0.839 282 A HN -0.625 7.496 8.150 0.162 0.126 0.449 283 C N -2.295 117.106 119.300 0.169 0.000 2.422 283 C HA -0.360 4.186 4.460 0.144 0.000 0.286 283 C C 2.019 177.140 174.990 0.219 0.000 1.412 283 C CA 4.345 63.469 59.018 0.177 0.000 1.786 283 C CB 0.017 27.861 27.740 0.174 0.000 1.835 283 C HN -0.067 8.272 8.230 0.182 0.000 0.533 284 E N 0.283 120.587 120.200 0.173 0.000 2.276 284 E HA -0.267 4.151 4.350 0.114 0.000 0.193 284 E C 0.608 177.275 176.600 0.113 0.000 0.983 284 E CA 2.445 58.919 56.400 0.123 0.000 0.861 284 E CB -0.130 29.622 29.700 0.087 0.000 0.817 284 E HN -0.200 8.214 8.360 0.171 0.049 0.485 285 E N -0.246 120.034 120.200 0.133 0.000 2.112 285 E HA -0.284 4.114 4.350 0.080 0.000 0.190 285 E C 1.977 178.651 176.600 0.123 0.000 0.979 285 E CA 2.233 58.699 56.400 0.110 0.000 0.814 285 E CB -0.279 29.488 29.700 0.111 0.000 0.762 285 E HN -0.718 7.626 8.360 0.148 0.104 0.460 286 Y N 0.582 120.907 120.300 0.041 0.000 2.181 286 Y HA -0.283 4.284 4.550 0.028 0.000 0.288 286 Y C 1.411 177.330 175.900 0.032 0.000 1.146 286 Y CA 3.079 61.199 58.100 0.032 0.000 1.164 286 Y CB 0.248 38.725 38.460 0.029 0.000 0.982 286 Y HN -0.202 8.259 8.280 0.302 0.000 0.515 287 A N -3.058 119.824 122.820 0.103 0.000 2.066 287 A HA -0.019 4.393 4.320 -0.108 -0.156 0.218 287 A C 0.437 177.986 177.584 -0.058 0.000 1.157 287 A CA 1.780 53.821 52.037 0.006 0.000 0.670 287 A CB -0.386 18.696 19.000 0.137 0.000 0.804 287 A HN -0.526 7.683 8.150 0.239 0.085 0.453 288 S N -3.605 112.076 115.700 -0.031 0.000 2.574 288 S HA 0.130 4.584 4.470 -0.027 0.000 0.242 288 S C -1.091 173.481 174.600 -0.047 0.000 0.982 288 S CA -0.576 57.608 58.200 -0.026 0.000 0.977 288 S CB -0.280 62.923 63.200 0.005 0.000 0.814 288 S HN -0.553 7.726 8.310 -0.003 0.030 0.464 289 R N 3.701 124.138 120.500 -0.105 0.000 2.215 289 R HA 0.155 4.463 4.340 -0.053 0.000 0.336 289 R C -0.935 175.302 176.300 -0.105 0.000 0.996 289 R CA -0.955 55.087 56.100 -0.098 0.000 0.847 289 R CB 0.725 30.951 30.300 -0.124 0.000 1.127 289 R HN -0.887 7.210 8.270 -0.166 0.073 0.465 290 T N 8.494 123.013 114.554 -0.057 0.000 2.704 290 T HA -0.214 4.107 4.350 -0.048 0.000 0.271 290 T C -0.372 174.297 174.700 -0.052 0.000 1.000 290 T CA 1.472 63.545 62.100 -0.045 0.000 1.216 290 T CB 0.526 69.383 68.868 -0.019 0.000 0.961 290 T HN 0.577 8.793 8.240 -0.039 0.000 0.515 291 R N 6.255 126.715 120.500 -0.067 0.000 2.316 291 R HA -0.180 4.114 4.340 -0.077 0.000 0.314 291 R C 0.124 176.410 176.300 -0.023 0.000 1.069 291 R CA -0.173 55.886 56.100 -0.067 0.000 0.959 291 R CB -0.157 30.089 30.300 -0.090 0.000 0.987 291 R HN 0.293 8.521 8.270 -0.070 0.000 0.446 292 R N 4.891 125.392 120.500 0.001 0.000 2.539 292 R HA -0.067 4.309 4.340 0.061 0.000 0.275 292 R C -0.361 175.988 176.300 0.083 0.000 1.077 292 R CA -0.979 55.153 56.100 0.053 0.000 1.097 292 R CB 0.751 31.090 30.300 0.064 0.000 1.018 292 R HN 0.134 8.401 8.270 -0.005 0.000 0.483 293 F N 0.996 120.928 119.950 -0.029 0.000 2.593 293 F HA -0.301 4.204 4.527 -0.038 0.000 0.393 293 F C 0.696 176.473 175.800 -0.038 0.000 1.037 293 F CA 1.031 59.011 58.000 -0.034 0.000 1.195 293 F CB 0.448 39.432 39.000 -0.028 0.000 1.034 293 F HN 0.075 8.529 8.300 0.257 0.000 0.552 294 G N 6.658 115.360 108.800 -0.164 0.000 2.392 294 G HA2 -0.206 3.828 3.960 0.122 0.000 0.215 294 G HA3 -0.206 3.646 3.960 -0.180 0.000 0.215 294 G C -1.603 173.247 174.900 -0.083 0.000 1.097 294 G CA -0.323 44.742 45.100 -0.058 0.000 0.840 294 G HN 0.509 8.487 8.290 -0.520 0.000 0.492 295 S N -0.973 114.639 115.700 -0.146 0.000 2.720 295 S HA 0.251 4.673 4.470 -0.080 0.000 0.287 295 S C -1.563 172.956 174.600 -0.135 0.000 1.168 295 S CA -0.968 57.170 58.200 -0.102 0.000 0.832 295 S CB 2.720 65.886 63.200 -0.057 0.000 1.166 295 S HN -0.551 7.636 8.310 -0.205 0.000 0.493 296 A N 0.000 122.773 122.820 -0.078 0.000 2.254 296 A HA 0.000 4.263 4.320 -0.095 0.000 0.244 296 A CA 0.000 51.996 52.037 -0.068 0.000 0.836 296 A CB 0.000 18.950 19.000 -0.084 0.000 0.831 296 A HN 0.000 8.129 8.150 -0.035 0.000 0.486