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 3fz5_1_A DATA FIRST_RESID 0 DATA SEQUENCE AXNPIEFWFD FSSGYAFFAA QRIEALAAEL GRTVLWRPYX LGXXXXXXXX DATA SEQUENCE XXLSSTPLKR DYAQRDWARI ARQRGLTFRP PADHPHVALA ATRAFYWIEA DATA SEQUENCE QSPDAATAFA QRVFDLYFSD RLDTASPEAV SRLGPEVGLE PEALLAGIAD DATA SEQUENCE PALKETVRKI GEDAVARGIF GSPFFLVDDE PFWGWDRXEX XAEWIRTGGW 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 0 A HA 0.000 4.320 4.320 0.000 0.000 0.244 0 A C 0.000 177.627 177.584 0.071 0.000 1.274 0 A CA 0.000 52.076 52.037 0.066 0.000 0.836 0 A CB 0.000 19.038 19.000 0.063 0.000 0.831 3 P HA 0.376 4.796 4.420 0.000 0.000 0.279 3 P C 0.172 177.569 177.300 0.162 0.000 1.252 3 P CA -0.328 62.858 63.100 0.144 0.000 0.811 3 P CB 1.378 33.176 31.700 0.164 0.000 1.035 4 I N 1.121 121.788 120.570 0.161 0.000 2.517 4 I HA 0.046 4.218 4.170 0.003 0.000 0.285 4 I C 0.970 177.234 176.117 0.245 0.000 1.106 4 I CA 0.201 61.615 61.300 0.191 0.000 1.402 4 I CB -0.174 37.911 38.000 0.141 0.000 1.399 4 I HN 0.215 8.425 8.210 0.000 0.000 0.535 5 E N 5.943 126.324 120.200 0.302 0.000 2.223 5 E HA 0.146 4.498 4.350 0.003 0.000 0.282 5 E C -0.879 175.953 176.600 0.388 0.000 1.046 5 E CA -0.393 56.194 56.400 0.312 0.000 0.857 5 E CB 1.021 30.998 29.700 0.461 0.000 1.055 5 E HN 0.310 8.670 8.360 0.000 0.000 0.409 6 F N 4.982 124.923 119.950 -0.015 0.000 2.308 6 F HA 0.305 4.833 4.527 0.002 0.000 0.370 6 F C -1.422 174.284 175.800 -0.156 0.000 1.100 6 F CA -1.723 56.221 58.000 -0.093 0.000 1.108 6 F CB 0.106 38.950 39.000 -0.259 0.000 1.293 6 F HN 0.415 8.715 8.300 0.000 0.000 0.478 7 W N 7.982 129.222 121.300 -0.100 0.000 2.417 7 W HA 0.553 5.214 4.660 0.002 0.000 0.317 7 W C -0.865 175.565 176.519 -0.149 0.000 1.121 7 W CA -0.334 56.855 57.345 -0.261 0.000 1.208 7 W CB 1.234 30.540 29.460 -0.257 0.000 1.253 7 W HN 0.434 8.614 8.180 0.000 0.000 0.533 8 F N 0.193 120.145 119.950 0.004 0.000 2.773 8 F HA 0.466 4.995 4.527 0.002 0.000 0.314 8 F C -1.530 174.263 175.800 -0.012 0.000 1.160 8 F CA -1.632 56.357 58.000 -0.019 0.000 0.920 8 F CB 1.092 39.869 39.000 -0.371 0.000 1.323 8 F HN 0.124 8.424 8.300 0.000 0.000 0.457 9 D N 0.598 121.146 120.400 0.247 0.000 2.278 9 D HA 0.373 5.015 4.640 0.003 0.000 0.245 9 D C 0.200 176.719 176.300 0.366 0.000 1.052 9 D CA -0.626 53.444 54.000 0.116 0.000 0.834 9 D CB 1.098 41.928 40.800 0.050 0.000 1.194 9 D HN 0.501 8.871 8.370 0.000 0.000 0.481 10 F N 1.433 121.522 119.950 0.231 0.000 2.202 10 F HA -0.142 4.386 4.527 0.002 0.000 0.301 10 F C 2.321 178.145 175.800 0.040 0.000 1.082 10 F CA 0.743 58.730 58.000 -0.022 0.000 1.313 10 F CB 0.212 39.030 39.000 -0.302 0.000 1.024 10 F HN 0.324 8.624 8.300 0.000 0.000 0.495 11 S N -0.992 114.798 115.700 0.150 0.000 2.603 11 S HA -0.041 4.430 4.470 0.003 0.000 0.220 11 S C 0.766 175.686 174.600 0.533 0.000 0.967 11 S CA 0.038 58.290 58.200 0.086 0.000 0.920 11 S CB -0.252 62.900 63.200 -0.080 0.000 0.773 11 S HN 0.150 8.460 8.310 0.000 0.000 0.529 12 S N 1.077 117.124 115.700 0.577 0.000 2.439 12 S HA 0.438 4.910 4.470 0.003 0.000 0.282 12 S C 1.456 176.220 174.600 0.273 0.000 1.170 12 S CA -0.489 58.001 58.200 0.483 0.000 1.054 12 S CB 0.972 64.446 63.200 0.457 0.000 0.956 12 S HN 0.364 8.674 8.310 0.000 0.000 0.490 13 G N 3.880 112.524 108.800 -0.259 0.000 2.446 13 G HA2 -0.194 3.768 3.960 0.003 0.000 0.217 13 G HA3 -0.194 3.768 3.960 0.003 0.000 0.217 13 G C 0.868 175.250 174.900 -0.864 0.000 1.168 13 G CA 0.884 45.217 45.100 -1.278 0.000 0.771 13 G HN 0.806 9.096 8.290 0.000 0.000 0.551 14 Y N 1.213 121.434 120.300 -0.132 0.000 2.293 14 Y HA 0.120 4.671 4.550 0.002 0.000 0.291 14 Y C 3.082 179.025 175.900 0.073 0.000 1.137 14 Y CA 0.462 58.634 58.100 0.120 0.000 1.202 14 Y CB -0.507 38.177 38.460 0.374 0.000 0.990 14 Y HN 0.265 8.545 8.280 0.000 0.000 0.537 15 A N -0.304 122.655 122.820 0.231 0.000 1.972 15 A HA -0.216 4.106 4.320 0.003 0.000 0.219 15 A C 2.095 179.401 177.584 -0.463 0.000 1.169 15 A CA 1.364 53.465 52.037 0.107 0.000 0.635 15 A CB -1.295 17.873 19.000 0.281 0.000 0.810 15 A HN 0.493 8.643 8.150 0.000 0.000 0.446 16 F N -0.028 119.420 119.950 -0.836 0.000 2.095 16 F HA -0.185 4.344 4.527 0.003 0.000 0.298 16 F C 1.771 177.041 175.800 -0.883 0.000 1.104 16 F CA 1.794 59.044 58.000 -1.252 0.000 1.232 16 F CB -0.430 37.694 39.000 -1.460 0.000 0.987 16 F HN 0.214 8.514 8.300 0.000 0.000 0.475 17 F N 0.417 119.998 119.950 -0.615 0.000 2.206 17 F HA 0.038 4.567 4.527 0.002 0.000 0.298 17 F C 2.593 178.233 175.800 -0.268 0.000 1.090 17 F CA 0.996 58.646 58.000 -0.584 0.000 1.323 17 F CB -1.507 37.013 39.000 -0.801 0.000 1.028 17 F HN 0.064 8.364 8.300 0.000 0.000 0.492 18 A N 0.250 123.140 122.820 0.117 0.000 1.908 18 A HA -0.113 4.208 4.320 0.003 0.000 0.218 18 A C 2.426 179.853 177.584 -0.262 0.000 1.181 18 A CA 1.864 53.980 52.037 0.131 0.000 0.627 18 A CB -1.280 17.907 19.000 0.310 0.000 0.818 18 A HN 0.301 8.451 8.150 0.000 0.000 0.445 19 A N -1.219 121.366 122.820 -0.392 0.000 1.969 19 A HA -0.126 4.195 4.320 0.003 0.000 0.218 19 A C 1.925 179.400 177.584 -0.182 0.000 1.169 19 A CA 1.524 53.369 52.037 -0.321 0.000 0.635 19 A CB -0.360 18.348 19.000 -0.487 0.000 0.810 19 A HN 0.464 8.614 8.150 0.000 0.000 0.445 20 Q N -1.159 118.427 119.800 -0.356 0.000 2.488 20 Q HA -0.047 4.294 4.340 0.003 0.000 0.211 20 Q C 1.751 177.696 176.000 -0.090 0.000 0.967 20 Q CA 1.361 57.022 55.803 -0.236 0.000 0.926 20 Q CB -0.119 28.414 28.738 -0.342 0.000 0.992 20 Q HN 0.699 8.969 8.270 0.000 0.000 0.506 21 R N -0.723 119.720 120.500 -0.094 0.000 2.470 21 R HA 0.147 4.488 4.340 0.003 0.000 0.210 21 R C 1.605 177.842 176.300 -0.106 0.000 0.873 21 R CA 0.068 56.128 56.100 -0.067 0.000 1.015 21 R CB -0.388 29.896 30.300 -0.027 0.000 1.348 21 R HN 0.089 8.359 8.270 0.000 0.000 0.650 22 I N 1.696 122.154 120.570 -0.185 0.000 2.142 22 I HA -0.176 3.995 4.170 0.003 0.000 0.240 22 I C 1.429 177.495 176.117 -0.085 0.000 1.078 22 I CA 1.762 62.913 61.300 -0.248 0.000 1.343 22 I CB -0.220 37.438 38.000 -0.571 0.000 1.046 22 I HN 0.171 8.381 8.210 0.000 0.000 0.405 23 E N 0.849 121.081 120.200 0.055 0.000 2.070 23 E HA -0.279 4.073 4.350 0.003 0.000 0.197 23 E C 2.245 178.878 176.600 0.055 0.000 1.004 23 E CA 1.687 58.163 56.400 0.127 0.000 0.805 23 E CB -0.812 29.015 29.700 0.211 0.000 0.744 23 E HN 0.618 8.978 8.360 0.000 0.000 0.451 24 A N 1.373 124.209 122.820 0.028 0.000 1.877 24 A HA -0.176 4.146 4.320 0.003 0.000 0.216 24 A C 2.282 179.852 177.584 -0.023 0.000 1.186 24 A CA 1.575 53.615 52.037 0.005 0.000 0.620 24 A CB -0.710 18.289 19.000 -0.000 0.000 0.822 24 A HN 0.257 8.407 8.150 0.000 0.000 0.443 25 L N -0.029 121.159 121.223 -0.057 0.000 1.989 25 L HA -0.113 4.229 4.340 0.003 0.000 0.211 25 L C 2.624 179.451 176.870 -0.071 0.000 1.071 25 L CA 2.508 57.294 54.840 -0.090 0.000 0.749 25 L CB -1.049 40.915 42.059 -0.158 0.000 0.890 25 L HN 0.347 8.577 8.230 0.000 0.000 0.431 26 A N -0.380 122.407 122.820 -0.055 0.000 1.908 26 A HA -0.127 4.194 4.320 0.003 0.000 0.218 26 A C 2.449 180.035 177.584 0.003 0.000 1.181 26 A CA 2.125 54.150 52.037 -0.021 0.000 0.627 26 A CB -1.285 17.725 19.000 0.017 0.000 0.818 26 A HN 0.645 8.795 8.150 0.000 0.000 0.445 27 A N -0.532 122.296 122.820 0.013 0.000 1.969 27 A HA -0.117 4.204 4.320 0.003 0.000 0.218 27 A C 1.892 179.478 177.584 0.004 0.000 1.169 27 A CA 1.566 53.614 52.037 0.019 0.000 0.635 27 A CB -0.430 18.587 19.000 0.028 0.000 0.810 27 A HN 0.642 8.792 8.150 0.000 0.000 0.445 28 E N -0.285 119.908 120.200 -0.011 0.000 2.152 28 E HA -0.046 4.306 4.350 0.003 0.000 0.192 28 E C 1.554 178.142 176.600 -0.021 0.000 0.983 28 E CA 0.842 57.230 56.400 -0.019 0.000 0.818 28 E CB -0.158 29.523 29.700 -0.032 0.000 0.758 28 E HN 0.624 8.984 8.360 0.000 0.000 0.467 29 L N -0.662 120.546 121.223 -0.025 0.000 2.558 29 L HA 0.156 4.498 4.340 0.003 0.000 0.225 29 L C 1.290 178.156 176.870 -0.006 0.000 1.128 29 L CA 0.347 55.173 54.840 -0.023 0.000 0.868 29 L CB -0.001 42.036 42.059 -0.037 0.000 1.006 29 L HN 0.266 8.496 8.230 0.000 0.000 0.454 30 G N 0.669 109.471 108.800 0.003 0.000 2.160 30 G HA2 -0.219 3.743 3.960 0.003 0.000 0.244 30 G HA3 -0.219 3.743 3.960 0.003 0.000 0.244 30 G C 0.140 175.056 174.900 0.025 0.000 1.022 30 G CA -0.121 44.988 45.100 0.014 0.000 0.741 30 G HN 0.193 8.483 8.290 0.000 0.000 0.508 31 R N -0.302 120.216 120.500 0.030 0.000 2.902 31 R HA 0.826 5.167 4.340 0.003 0.000 0.258 31 R C 0.621 176.962 176.300 0.067 0.000 1.071 31 R CA 0.132 56.260 56.100 0.047 0.000 1.024 31 R CB 0.833 31.158 30.300 0.043 0.000 1.184 31 R HN 0.513 8.783 8.270 0.000 0.000 0.492 32 T N -2.968 111.641 114.554 0.091 0.000 2.949 32 T HA 0.648 4.999 4.350 0.003 0.000 0.287 32 T C -0.222 174.574 174.700 0.160 0.000 1.034 32 T CA -0.721 61.454 62.100 0.126 0.000 1.018 32 T CB 1.429 70.373 68.868 0.128 0.000 1.135 32 T HN 0.131 8.371 8.240 0.000 0.000 0.532 33 V N 1.872 121.925 119.914 0.231 0.000 2.409 33 V HA 0.478 4.600 4.120 0.003 0.000 0.291 33 V C -0.579 175.750 176.094 0.393 0.000 1.020 33 V CA -0.884 61.585 62.300 0.281 0.000 0.848 33 V CB 1.236 33.239 31.823 0.301 0.000 0.990 33 V HN 0.877 9.067 8.190 0.000 0.000 0.430 34 L N 5.803 127.213 121.223 0.311 0.000 2.270 34 L HA 0.533 4.875 4.340 0.003 0.000 0.286 34 L C -0.810 176.238 176.870 0.298 0.000 1.059 34 L CA -0.010 55.021 54.840 0.318 0.000 0.839 34 L CB 0.284 42.465 42.059 0.203 0.000 1.221 34 L HN 0.621 8.851 8.230 0.000 0.000 0.431 35 W N 5.745 127.175 121.300 0.216 0.000 2.368 35 W HA 0.396 5.057 4.660 0.002 0.000 0.316 35 W C 0.335 176.658 176.519 -0.327 0.000 1.375 35 W CA -0.393 57.040 57.345 0.147 0.000 1.261 35 W CB 0.332 30.018 29.460 0.376 0.000 1.298 35 W HN 0.284 8.464 8.180 0.000 0.000 0.539 36 R N 4.744 124.850 120.500 -0.657 0.000 2.513 36 R HA 0.240 4.582 4.340 0.003 0.000 0.283 36 R C -2.724 172.751 176.300 -1.374 0.000 1.535 36 R CA -1.817 53.618 56.100 -1.109 0.000 1.315 36 R CB 1.105 30.211 30.300 -1.991 0.000 1.163 36 R HN 0.194 8.464 8.270 0.000 0.000 0.573 37 P HA 0.135 4.555 4.420 0.000 0.000 0.275 37 P C -1.005 176.124 177.300 -0.285 0.000 1.227 37 P CA 0.097 62.368 63.100 -1.380 0.000 0.781 37 P CB 0.620 31.530 31.700 -1.316 0.000 0.906 53 S N -0.261 115.454 115.700 0.026 0.000 2.786 53 S HA 0.838 5.309 4.470 0.003 0.000 0.302 53 S C 1.484 176.102 174.600 0.030 0.000 1.080 53 S CA 0.797 59.014 58.200 0.027 0.000 0.925 53 S CB 1.854 65.072 63.200 0.031 0.000 1.325 53 S HN 2.394 10.704 8.310 0.000 0.000 0.576 54 S N -0.488 115.232 115.700 0.033 0.000 2.511 54 S HA 0.086 4.557 4.470 0.003 0.000 0.214 54 S C 1.177 175.804 174.600 0.046 0.000 0.997 54 S CA 0.644 58.864 58.200 0.034 0.000 0.908 54 S CB -0.509 62.708 63.200 0.028 0.000 0.803 54 S HN 0.649 8.959 8.310 0.000 0.000 0.504 55 T N 2.938 117.524 114.554 0.055 0.000 3.023 55 T HA 0.116 4.468 4.350 0.003 0.000 0.266 55 T C -0.871 173.875 174.700 0.076 0.000 1.093 55 T CA 0.532 62.675 62.100 0.072 0.000 1.129 55 T CB -1.171 67.746 68.868 0.081 0.000 0.899 55 T HN 0.426 8.666 8.240 0.000 0.000 0.491 56 P HA -0.003 4.417 4.420 0.000 0.000 0.216 56 P C 1.558 178.895 177.300 0.061 0.000 1.150 56 P CA 0.898 64.035 63.100 0.062 0.000 0.837 56 P CB -0.231 31.499 31.700 0.050 0.000 0.786 57 L N -0.773 120.484 121.223 0.057 0.000 2.141 57 L HA -0.093 4.249 4.340 0.003 0.000 0.209 57 L C 2.762 179.683 176.870 0.085 0.000 1.094 57 L CA 1.438 56.314 54.840 0.061 0.000 0.763 57 L CB -0.718 41.367 42.059 0.042 0.000 0.908 57 L HN -0.028 8.202 8.230 0.000 0.000 0.437 58 K N 0.168 120.618 120.400 0.082 0.000 2.098 58 K HA -0.103 4.219 4.320 0.003 0.000 0.203 58 K C 2.670 179.343 176.600 0.121 0.000 1.051 58 K CA 1.160 57.508 56.287 0.103 0.000 0.957 58 K CB 0.028 32.585 32.500 0.096 0.000 0.738 58 K HN 0.155 8.405 8.250 0.000 0.000 0.447 59 R N 1.255 121.814 120.500 0.099 0.000 2.073 59 R HA -0.173 4.168 4.340 0.003 0.000 0.234 59 R C 1.778 178.080 176.300 0.004 0.000 1.134 59 R CA 2.232 58.378 56.100 0.076 0.000 0.952 59 R CB -1.678 28.690 30.300 0.113 0.000 0.850 59 R HN 0.482 8.752 8.270 0.000 0.000 0.433 60 D N -1.251 119.170 120.400 0.036 0.000 2.144 60 D HA -0.194 4.448 4.640 0.003 0.000 0.199 60 D C 1.728 178.009 176.300 -0.032 0.000 0.984 60 D CA 1.426 55.431 54.000 0.008 0.000 0.834 60 D CB -0.316 40.506 40.800 0.037 0.000 0.955 60 D HN 0.622 8.992 8.370 0.000 0.000 0.465 61 Y N 0.577 120.819 120.300 -0.096 0.000 2.181 61 Y HA -0.105 4.447 4.550 0.002 0.000 0.288 61 Y C 2.190 177.940 175.900 -0.249 0.000 1.146 61 Y CA 1.975 60.004 58.100 -0.119 0.000 1.164 61 Y CB -0.570 37.851 38.460 -0.065 0.000 0.982 61 Y HN 0.038 8.318 8.280 0.000 0.000 0.515 62 A N 0.909 123.548 122.820 -0.301 0.000 1.902 62 A HA -0.243 4.078 4.320 0.003 0.000 0.217 62 A C 2.202 178.925 177.584 -1.435 0.000 1.181 62 A CA 1.828 53.352 52.037 -0.854 0.000 0.623 62 A CB -0.914 17.609 19.000 -0.795 0.000 0.818 62 A HN 0.748 8.898 8.150 0.000 0.000 0.443 63 Q N -0.582 118.702 119.800 -0.861 0.000 2.079 63 Q HA -0.196 4.145 4.340 0.003 0.000 0.200 63 Q C 2.232 178.076 176.000 -0.261 0.000 0.974 63 Q CA 1.418 56.986 55.803 -0.391 0.000 0.840 63 Q CB -0.486 28.231 28.738 -0.036 0.000 0.898 63 Q HN 0.666 8.936 8.270 0.000 0.000 0.430 64 R N 0.989 121.294 120.500 -0.324 0.000 2.083 64 R HA -0.205 4.136 4.340 0.003 0.000 0.237 64 R C 1.809 177.884 176.300 -0.375 0.000 1.137 64 R CA 2.053 57.982 56.100 -0.286 0.000 0.951 64 R CB -0.236 29.888 30.300 -0.294 0.000 0.851 64 R HN 0.339 8.609 8.270 0.000 0.000 0.434 65 D N -0.498 119.529 120.400 -0.622 0.000 2.117 65 D HA -0.185 4.457 4.640 0.003 0.000 0.197 65 D C 1.592 177.647 176.300 -0.409 0.000 0.987 65 D CA 1.227 54.886 54.000 -0.568 0.000 0.829 65 D CB -0.115 40.281 40.800 -0.673 0.000 0.961 65 D HN 0.297 8.667 8.370 0.000 0.000 0.460 66 W N 1.114 122.141 121.300 -0.455 0.000 2.358 66 W HA 0.063 4.725 4.660 0.003 0.000 0.303 66 W C 2.521 178.728 176.519 -0.521 0.000 1.208 66 W CA 0.923 57.889 57.345 -0.632 0.000 1.274 66 W CB -1.414 27.598 29.460 -0.746 0.000 1.138 66 W HN 0.055 8.235 8.180 0.000 0.000 0.515 67 A N 1.487 124.276 122.820 -0.053 0.000 1.908 67 A HA -0.237 4.085 4.320 0.003 0.000 0.218 67 A C 2.175 179.716 177.584 -0.071 0.000 1.181 67 A CA 2.524 54.566 52.037 0.009 0.000 0.627 67 A CB -0.924 18.102 19.000 0.043 0.000 0.818 67 A HN 0.431 8.581 8.150 0.000 0.000 0.445 68 R N -0.341 120.075 120.500 -0.139 0.000 2.090 68 R HA 0.050 4.392 4.340 0.003 0.000 0.228 68 R C 1.846 178.038 176.300 -0.180 0.000 1.110 68 R CA 1.578 57.598 56.100 -0.133 0.000 0.973 68 R CB -0.721 29.503 30.300 -0.126 0.000 0.869 68 R HN 0.438 8.708 8.270 0.000 0.000 0.440 69 I N 1.952 122.322 120.570 -0.333 0.000 2.226 69 I HA -0.238 3.934 4.170 0.003 0.000 0.245 69 I C 2.765 178.634 176.117 -0.413 0.000 1.100 69 I CA 1.503 62.489 61.300 -0.523 0.000 1.374 69 I CB -0.350 36.939 38.000 -1.186 0.000 1.057 69 I HN 0.358 8.568 8.210 0.000 0.000 0.413 70 A N 0.634 123.293 122.820 -0.268 0.000 1.929 70 A HA -0.145 4.176 4.320 0.003 0.000 0.216 70 A C 2.403 180.017 177.584 0.050 0.000 1.176 70 A CA 1.144 53.219 52.037 0.063 0.000 0.628 70 A CB -0.444 18.697 19.000 0.234 0.000 0.816 70 A HN 0.283 8.433 8.150 0.000 0.000 0.444 71 R N -0.804 119.698 120.500 0.003 0.000 2.073 71 R HA -0.168 4.173 4.340 0.003 0.000 0.234 71 R C 2.524 178.824 176.300 0.001 0.000 1.134 71 R CA 1.628 57.734 56.100 0.011 0.000 0.952 71 R CB -0.395 29.902 30.300 -0.004 0.000 0.850 71 R HN 0.723 8.993 8.270 0.000 0.000 0.433 72 Q N 0.663 120.447 119.800 -0.028 0.000 2.124 72 Q HA -0.152 4.190 4.340 0.003 0.000 0.202 72 Q C 1.675 177.675 176.000 -0.000 0.000 0.977 72 Q CA 1.543 57.335 55.803 -0.019 0.000 0.850 72 Q CB 0.179 28.896 28.738 -0.034 0.000 0.901 72 Q HN 0.245 8.515 8.270 0.000 0.000 0.429 73 R N -1.506 118.996 120.500 0.004 0.000 2.290 73 R HA 0.134 4.475 4.340 0.003 0.000 0.197 73 R C 0.786 177.117 176.300 0.052 0.000 0.913 73 R CA 0.530 56.649 56.100 0.032 0.000 1.040 73 R CB 0.639 30.965 30.300 0.043 0.000 0.992 73 R HN 0.350 8.620 8.270 0.000 0.000 0.500 74 G N 1.650 110.484 108.800 0.056 0.000 2.272 74 G HA2 -0.259 3.702 3.960 0.003 0.000 0.280 74 G HA3 -0.259 3.702 3.960 0.003 0.000 0.280 74 G C -0.205 174.755 174.900 0.100 0.000 1.067 74 G CA -0.058 45.082 45.100 0.067 0.000 0.902 74 G HN 0.125 8.415 8.290 0.000 0.000 0.500 75 L N -0.211 121.102 121.223 0.149 0.000 2.344 75 L HA 0.594 4.935 4.340 0.003 0.000 0.272 75 L C 0.930 177.939 176.870 0.230 0.000 1.035 75 L CA -1.006 53.960 54.840 0.210 0.000 0.807 75 L CB 1.497 43.738 42.059 0.304 0.000 1.237 75 L HN 0.087 8.317 8.230 0.000 0.000 0.442 76 T N 1.801 116.486 114.554 0.218 0.000 2.834 76 T HA 0.272 4.623 4.350 0.003 0.000 0.298 76 T C -0.757 174.047 174.700 0.174 0.000 0.966 76 T CA 0.413 62.609 62.100 0.159 0.000 1.141 76 T CB -0.101 68.826 68.868 0.099 0.000 0.905 76 T HN 0.302 8.542 8.240 0.000 0.000 0.535 77 F N 4.107 124.018 119.950 -0.065 0.000 2.902 77 F HA 0.464 4.993 4.527 0.002 0.000 0.368 77 F C -0.140 175.574 175.800 -0.143 0.000 1.202 77 F CA -0.888 56.988 58.000 -0.206 0.000 1.109 77 F CB 0.852 39.771 39.000 -0.135 0.000 1.418 77 F HN 0.443 8.743 8.300 0.000 0.000 0.527 78 R N 6.832 126.997 120.500 -0.559 0.000 2.734 78 R HA 0.453 4.794 4.340 0.003 0.000 0.268 78 R C -3.110 172.838 176.300 -0.587 0.000 1.785 78 R CA -1.649 54.200 56.100 -0.418 0.000 1.461 78 R CB 1.105 31.264 30.300 -0.235 0.000 1.308 78 R HN 0.234 8.504 8.270 0.000 0.000 0.586 79 P HA 0.162 4.582 4.420 0.000 0.000 0.272 79 P C -2.546 174.397 177.300 -0.596 0.000 1.230 79 P CA -1.162 61.452 63.100 -0.810 0.000 0.788 79 P CB 0.247 31.475 31.700 -0.787 0.000 0.949 80 P HA -0.036 4.384 4.420 0.000 0.000 0.268 80 P C 0.317 177.476 177.300 -0.235 0.000 1.208 80 P CA 0.155 62.972 63.100 -0.472 0.000 0.777 80 P CB 0.407 31.704 31.700 -0.672 0.000 0.875 81 A N 2.225 124.969 122.820 -0.126 0.000 2.019 81 A HA -0.161 4.160 4.320 0.003 0.000 0.219 81 A C 1.040 178.636 177.584 0.020 0.000 1.164 81 A CA 1.804 53.814 52.037 -0.045 0.000 0.644 81 A CB -0.978 18.005 19.000 -0.027 0.000 0.805 81 A HN 0.660 8.810 8.150 0.000 0.000 0.449 82 D N -1.560 118.872 120.400 0.054 0.000 2.894 82 D HA 0.160 4.802 4.640 0.003 0.000 0.273 82 D C 0.081 176.485 176.300 0.173 0.000 1.328 82 D CA -0.636 53.438 54.000 0.124 0.000 0.845 82 D CB -1.288 39.600 40.800 0.147 0.000 1.072 82 D HN 0.496 8.866 8.370 0.000 0.000 0.484 83 H N 1.757 120.831 119.070 0.008 0.000 2.871 83 H HA 0.247 4.804 4.556 0.002 0.000 0.355 83 H C -1.855 173.566 175.328 0.156 0.000 1.092 83 H CA -0.463 55.610 56.048 0.041 0.000 1.420 83 H CB 0.672 30.428 29.762 -0.009 0.000 1.400 83 H HN 0.083 8.363 8.280 0.000 0.000 0.604 84 P HA 0.190 4.610 4.420 0.000 0.000 0.287 84 P C -0.979 176.304 177.300 -0.029 0.000 1.270 84 P CA -0.421 62.276 63.100 -0.673 0.000 0.844 84 P CB 1.334 32.700 31.700 -0.557 0.000 1.068 85 H N -0.537 118.479 119.070 -0.091 0.000 2.511 85 H HA 0.240 4.797 4.556 0.002 0.000 0.346 85 H C -0.132 175.138 175.328 -0.095 0.000 1.128 85 H CA -1.120 54.904 56.048 -0.041 0.000 1.342 85 H CB 1.489 31.282 29.762 0.050 0.000 1.470 85 H HN 0.074 8.354 8.280 0.000 0.000 0.546 86 V N 2.994 122.922 119.914 0.024 0.000 2.364 86 V HA 0.029 4.151 4.120 0.003 0.000 0.252 86 V C 0.630 176.717 176.094 -0.012 0.000 1.075 86 V CA -0.024 62.272 62.300 -0.006 0.000 1.033 86 V CB -0.080 31.732 31.823 -0.017 0.000 1.116 86 V HN 0.794 8.984 8.190 0.000 0.000 0.488 87 A N 5.425 128.239 122.820 -0.010 0.000 3.077 87 A HA 0.268 4.589 4.320 0.003 0.000 0.255 87 A C 1.202 178.823 177.584 0.061 0.000 1.728 87 A CA -0.152 51.882 52.037 -0.006 0.000 1.383 87 A CB -0.286 18.707 19.000 -0.011 0.000 1.097 87 A HN 0.707 8.857 8.150 0.000 0.000 0.634 88 L N 0.892 122.138 121.223 0.038 0.000 2.095 88 L HA 0.067 4.409 4.340 0.003 0.000 0.204 88 L C 2.490 179.407 176.870 0.078 0.000 1.080 88 L CA 2.359 57.235 54.840 0.061 0.000 0.759 88 L CB -0.757 41.321 42.059 0.032 0.000 0.914 88 L HN 0.484 8.714 8.230 0.000 0.000 0.439 89 A N -0.517 122.330 122.820 0.044 0.000 1.873 89 A HA -0.069 4.253 4.320 0.003 0.000 0.215 89 A C 2.401 180.042 177.584 0.094 0.000 1.186 89 A CA 1.769 53.833 52.037 0.044 0.000 0.616 89 A CB -1.068 17.938 19.000 0.009 0.000 0.823 89 A HN 0.494 8.644 8.150 0.000 0.000 0.442 90 A N -1.179 121.690 122.820 0.083 0.000 1.929 90 A HA -0.002 4.320 4.320 0.003 0.000 0.216 90 A C 2.277 180.074 177.584 0.354 0.000 1.176 90 A CA 2.097 54.216 52.037 0.137 0.000 0.628 90 A CB -1.120 17.684 19.000 -0.327 0.000 0.816 90 A HN 0.425 8.575 8.150 0.000 0.000 0.444 91 T N -0.124 114.653 114.554 0.372 0.000 2.674 91 T HA -0.149 4.203 4.350 0.003 0.000 0.265 91 T C 2.074 177.010 174.700 0.393 0.000 1.039 91 T CA 1.589 63.955 62.100 0.443 0.000 1.150 91 T CB -0.248 68.809 68.868 0.316 0.000 0.864 91 T HN 0.497 8.737 8.240 0.000 0.000 0.427 92 R N 0.926 121.610 120.500 0.307 0.000 2.091 92 R HA -0.011 4.330 4.340 0.003 0.000 0.238 92 R C 2.809 179.266 176.300 0.261 0.000 1.136 92 R CA 1.315 57.589 56.100 0.290 0.000 0.959 92 R CB -0.498 29.902 30.300 0.168 0.000 0.856 92 R HN 0.377 8.647 8.270 0.000 0.000 0.437 93 A N 0.655 123.574 122.820 0.166 0.000 1.933 93 A HA -0.195 4.126 4.320 0.003 0.000 0.218 93 A C 1.960 179.452 177.584 -0.153 0.000 1.175 93 A CA 1.093 53.118 52.037 -0.020 0.000 0.628 93 A CB -0.647 18.281 19.000 -0.120 0.000 0.814 93 A HN 0.409 8.559 8.150 0.000 0.000 0.444 94 F N -0.705 119.185 119.950 -0.100 0.000 2.126 94 F HA -0.223 4.306 4.527 0.002 0.000 0.299 94 F C 2.031 177.711 175.800 -0.201 0.000 1.096 94 F CA 1.898 59.824 58.000 -0.124 0.000 1.255 94 F CB -0.214 38.799 39.000 0.022 0.000 0.997 94 F HN 0.300 8.600 8.300 0.000 0.000 0.479 95 Y N -1.777 118.701 120.300 0.297 0.000 2.286 95 Y HA -0.132 4.420 4.550 0.002 0.000 0.293 95 Y C 2.106 178.022 175.900 0.027 0.000 1.124 95 Y CA 1.230 59.428 58.100 0.163 0.000 1.178 95 Y CB -1.392 37.207 38.460 0.231 0.000 1.010 95 Y HN 0.264 8.544 8.280 0.000 0.000 0.536 96 W N 0.918 122.249 121.300 0.051 0.000 2.338 96 W HA -0.241 4.422 4.660 0.004 0.000 0.304 96 W C 1.911 178.343 176.519 -0.146 0.000 1.212 96 W CA 2.074 59.391 57.345 -0.046 0.000 1.264 96 W CB -0.463 28.957 29.460 -0.066 0.000 1.142 96 W HN 0.011 8.191 8.180 0.000 0.000 0.512 97 I N 0.075 120.568 120.570 -0.128 0.000 2.202 97 I HA -0.296 3.876 4.170 0.003 0.000 0.242 97 I C 2.517 178.373 176.117 -0.435 0.000 1.091 97 I CA 1.927 63.014 61.300 -0.355 0.000 1.368 97 I CB -0.798 36.955 38.000 -0.411 0.000 1.058 97 I HN 0.062 8.272 8.210 0.000 0.000 0.410 98 E N 1.392 121.322 120.200 -0.451 0.000 2.130 98 E HA -0.286 4.065 4.350 0.003 0.000 0.196 98 E C 2.249 178.703 176.600 -0.244 0.000 0.998 98 E CA 1.416 57.600 56.400 -0.360 0.000 0.806 98 E CB -0.017 29.500 29.700 -0.305 0.000 0.738 98 E HN 0.498 8.858 8.360 0.000 0.000 0.459 99 A N 0.499 123.165 122.820 -0.257 0.000 1.917 99 A HA -0.274 4.048 4.320 0.003 0.000 0.219 99 A C 2.058 179.461 177.584 -0.302 0.000 1.182 99 A CA 1.924 53.808 52.037 -0.255 0.000 0.633 99 A CB -0.470 18.344 19.000 -0.310 0.000 0.819 99 A HN 0.257 8.407 8.150 0.000 0.000 0.448 100 Q N -1.241 118.303 119.800 -0.427 0.000 2.123 100 Q HA 0.157 4.499 4.340 0.003 0.000 0.196 100 Q C 0.627 176.483 176.000 -0.240 0.000 0.958 100 Q CA 1.295 56.879 55.803 -0.366 0.000 0.841 100 Q CB 0.267 28.707 28.738 -0.496 0.000 0.915 100 Q HN 0.506 8.776 8.270 0.000 0.000 0.455 101 S N -1.231 114.326 115.700 -0.238 0.000 2.616 101 S HA 0.318 4.789 4.470 0.003 0.000 0.276 101 S C -2.505 171.986 174.600 -0.181 0.000 1.159 101 S CA -1.311 56.788 58.200 -0.169 0.000 1.000 101 S CB 0.893 64.012 63.200 -0.135 0.000 1.117 101 S HN -0.183 8.127 8.310 0.000 0.000 0.464 102 P HA -0.081 4.339 4.420 0.000 0.000 0.214 102 P C 0.751 177.980 177.300 -0.118 0.000 1.163 102 P CA 1.281 64.309 63.100 -0.120 0.000 0.883 102 P CB 0.093 31.773 31.700 -0.034 0.000 0.788 103 D N -0.684 119.669 120.400 -0.077 0.000 2.149 103 D HA -0.146 4.495 4.640 0.003 0.000 0.198 103 D C 1.974 178.221 176.300 -0.088 0.000 0.990 103 D CA 1.669 55.631 54.000 -0.063 0.000 0.839 103 D CB -0.902 39.877 40.800 -0.035 0.000 0.948 103 D HN 0.099 8.469 8.370 0.000 0.000 0.460 104 A N 0.720 123.479 122.820 -0.101 0.000 1.968 104 A HA 0.073 4.395 4.320 0.003 0.000 0.217 104 A C 2.284 179.805 177.584 -0.104 0.000 1.169 104 A CA 1.778 53.764 52.037 -0.086 0.000 0.638 104 A CB -0.594 18.351 19.000 -0.092 0.000 0.812 104 A HN 0.221 8.371 8.150 0.000 0.000 0.446 105 A N -0.810 121.863 122.820 -0.246 0.000 1.902 105 A HA -0.090 4.231 4.320 0.003 0.000 0.217 105 A C 2.300 179.782 177.584 -0.171 0.000 1.181 105 A CA 2.315 54.080 52.037 -0.453 0.000 0.623 105 A CB -1.170 17.228 19.000 -1.003 0.000 0.818 105 A HN 0.416 8.566 8.150 0.000 0.000 0.443 106 T N 0.181 114.619 114.554 -0.193 0.000 2.701 106 T HA 0.027 4.379 4.350 0.003 0.000 0.263 106 T C 2.296 176.810 174.700 -0.310 0.000 1.040 106 T CA 1.559 63.415 62.100 -0.405 0.000 1.147 106 T CB -0.536 68.034 68.868 -0.496 0.000 0.865 106 T HN 0.603 8.843 8.240 0.000 0.000 0.426 107 A N 1.518 124.256 122.820 -0.136 0.000 1.873 107 A HA -0.145 4.176 4.320 0.003 0.000 0.218 107 A C 2.040 179.636 177.584 0.020 0.000 1.193 107 A CA 1.988 53.996 52.037 -0.049 0.000 0.629 107 A CB -1.214 17.782 19.000 -0.006 0.000 0.826 107 A HN 0.526 8.676 8.150 0.000 0.000 0.447 108 F N 0.965 120.879 119.950 -0.060 0.000 2.120 108 F HA -0.133 4.396 4.527 0.003 0.000 0.300 108 F C 2.423 178.260 175.800 0.061 0.000 1.095 108 F CA 1.493 59.491 58.000 -0.005 0.000 1.249 108 F CB -0.379 38.614 39.000 -0.010 0.000 0.995 108 F HN 0.255 8.555 8.300 0.000 0.000 0.480 109 A N 0.198 123.111 122.820 0.154 0.000 1.872 109 A HA -0.157 4.165 4.320 0.003 0.000 0.214 109 A C 2.160 179.846 177.584 0.169 0.000 1.187 109 A CA 1.363 53.556 52.037 0.260 0.000 0.614 109 A CB -0.813 18.510 19.000 0.539 0.000 0.826 109 A HN 0.495 8.645 8.150 0.000 0.000 0.442 110 Q N -0.496 119.309 119.800 0.008 0.000 2.062 110 Q HA -0.268 4.073 4.340 0.003 0.000 0.209 110 Q C 2.263 178.367 176.000 0.174 0.000 0.996 110 Q CA 2.163 58.065 55.803 0.164 0.000 0.859 110 Q CB -0.485 28.275 28.738 0.036 0.000 0.920 110 Q HN 0.569 8.839 8.270 0.000 0.000 0.415 111 R N 0.605 121.114 120.500 0.016 0.000 2.073 111 R HA -0.088 4.253 4.340 0.003 0.000 0.234 111 R C 2.255 178.511 176.300 -0.073 0.000 1.134 111 R CA 1.251 57.337 56.100 -0.024 0.000 0.952 111 R CB -0.898 29.353 30.300 -0.081 0.000 0.850 111 R HN 0.126 8.396 8.270 0.000 0.000 0.433 112 V N 0.560 120.301 119.914 -0.289 0.000 2.324 112 V HA -0.256 3.865 4.120 0.003 0.000 0.250 112 V C 2.100 178.146 176.094 -0.081 0.000 1.060 112 V CA 1.987 64.033 62.300 -0.423 0.000 1.042 112 V CB -0.643 30.591 31.823 -0.982 0.000 0.650 112 V HN 0.173 8.363 8.190 0.000 0.000 0.450 113 F N 0.665 120.737 119.950 0.204 0.000 2.075 113 F HA -0.158 4.370 4.527 0.002 0.000 0.297 113 F C 2.350 178.460 175.800 0.517 0.000 1.113 113 F CA 1.767 60.066 58.000 0.498 0.000 1.218 113 F CB -0.848 38.476 39.000 0.540 0.000 0.984 113 F HN 0.221 8.521 8.300 0.000 0.000 0.472 114 D N 0.067 120.807 120.400 0.568 0.000 2.104 114 D HA -0.178 4.463 4.640 0.003 0.000 0.194 114 D C 2.539 178.957 176.300 0.198 0.000 0.994 114 D CA 1.289 55.533 54.000 0.406 0.000 0.830 114 D CB -0.581 40.366 40.800 0.245 0.000 0.959 114 D HN 0.220 8.590 8.370 0.000 0.000 0.452 115 L N -0.619 120.667 121.223 0.104 0.000 2.072 115 L HA -0.159 4.183 4.340 0.003 0.000 0.205 115 L C 2.446 179.276 176.870 -0.067 0.000 1.079 115 L CA 0.758 55.596 54.840 -0.004 0.000 0.752 115 L CB -0.394 41.641 42.059 -0.041 0.000 0.906 115 L HN 0.065 8.295 8.230 0.000 0.000 0.436 116 Y N 0.063 120.249 120.300 -0.190 0.000 2.200 116 Y HA -0.194 4.357 4.550 0.003 0.000 0.290 116 Y C 1.707 177.260 175.900 -0.577 0.000 1.137 116 Y CA 1.404 59.269 58.100 -0.391 0.000 1.163 116 Y CB -0.090 38.083 38.460 -0.479 0.000 0.988 116 Y HN -0.006 8.274 8.280 0.000 0.000 0.518 117 F N -0.211 119.511 119.950 -0.380 0.000 2.663 117 F HA 0.156 4.684 4.527 0.002 0.000 0.299 117 F C 1.398 176.792 175.800 -0.678 0.000 1.143 117 F CA 0.431 57.945 58.000 -0.810 0.000 1.387 117 F CB -0.118 38.090 39.000 -1.319 0.000 1.019 117 F HN 0.130 8.430 8.300 0.000 0.000 0.523 118 S N -2.058 113.453 115.700 -0.314 0.000 2.846 118 S HA 0.170 4.642 4.470 0.003 0.000 0.249 118 S C 0.099 174.547 174.600 -0.254 0.000 1.028 118 S CA -0.290 57.770 58.200 -0.234 0.000 1.043 118 S CB -0.266 62.871 63.200 -0.105 0.000 0.990 118 S HN 0.219 8.529 8.310 0.000 0.000 0.564 119 D N 1.440 121.610 120.400 -0.383 0.000 2.705 119 D HA -0.145 4.497 4.640 0.003 0.000 0.240 119 D C 0.515 176.678 176.300 -0.228 0.000 1.137 119 D CA 0.470 54.252 54.000 -0.365 0.000 0.677 119 D CB -0.705 39.915 40.800 -0.300 0.000 1.049 119 D HN 0.410 8.780 8.370 0.000 0.000 0.427 120 R N -0.458 119.923 120.500 -0.198 0.000 2.531 120 R HA 0.327 4.668 4.340 0.003 0.000 0.316 120 R C -0.045 176.205 176.300 -0.083 0.000 0.955 120 R CA -0.269 55.763 56.100 -0.113 0.000 1.120 120 R CB 0.577 30.828 30.300 -0.081 0.000 1.361 120 R HN 0.295 8.565 8.270 0.000 0.000 0.534 121 L N 1.329 122.498 121.223 -0.090 0.000 2.476 121 L HA 0.425 4.766 4.340 0.003 0.000 0.269 121 L C -1.387 175.525 176.870 0.070 0.000 0.965 121 L CA -0.668 54.157 54.840 -0.025 0.000 0.845 121 L CB 2.065 44.097 42.059 -0.045 0.000 1.259 121 L HN -0.154 8.076 8.230 0.000 0.000 0.403 122 D N 2.522 122.976 120.400 0.089 0.000 2.393 122 D HA 0.145 4.787 4.640 0.003 0.000 0.232 122 D C 0.920 177.286 176.300 0.111 0.000 1.192 122 D CA 0.284 54.401 54.000 0.195 0.000 0.882 122 D CB 1.223 42.081 40.800 0.098 0.000 1.038 122 D HN 0.715 9.085 8.370 0.000 0.000 0.499 123 T N 0.632 115.266 114.554 0.132 0.000 3.160 123 T HA 0.138 4.490 4.350 0.003 0.000 0.257 123 T C 1.417 176.094 174.700 -0.039 0.000 1.147 123 T CA 0.347 62.411 62.100 -0.059 0.000 1.064 123 T CB 0.220 68.923 68.868 -0.274 0.000 0.949 123 T HN 0.272 8.512 8.240 0.000 0.000 0.526 124 A N 0.850 123.657 122.820 -0.021 0.000 2.275 124 A HA 0.468 4.790 4.320 0.003 0.000 0.212 124 A C 1.301 178.855 177.584 -0.050 0.000 1.201 124 A CA -0.174 51.828 52.037 -0.058 0.000 0.843 124 A CB -0.015 18.905 19.000 -0.132 0.000 0.873 124 A HN 0.442 8.592 8.150 0.000 0.000 0.492 125 S N 0.127 115.806 115.700 -0.035 0.000 2.438 125 S HA 0.492 4.964 4.470 0.003 0.000 0.316 125 S C -1.935 172.651 174.600 -0.023 0.000 1.084 125 S CA -1.574 56.607 58.200 -0.032 0.000 1.107 125 S CB 1.215 64.399 63.200 -0.027 0.000 0.981 125 S HN 0.068 8.378 8.310 0.000 0.000 0.466 126 P HA -0.079 4.341 4.420 0.000 0.000 0.215 126 P C 1.509 178.785 177.300 -0.039 0.000 1.157 126 P CA 0.602 63.679 63.100 -0.037 0.000 0.863 126 P CB 0.155 31.825 31.700 -0.051 0.000 0.787 127 E N -0.074 120.103 120.200 -0.038 0.000 2.038 127 E HA -0.205 4.146 4.350 0.003 0.000 0.195 127 E C 1.989 178.577 176.600 -0.021 0.000 1.000 127 E CA 1.752 58.132 56.400 -0.034 0.000 0.803 127 E CB -0.701 28.981 29.700 -0.031 0.000 0.750 127 E HN 0.048 8.408 8.360 0.000 0.000 0.448 128 A N 0.493 123.304 122.820 -0.015 0.000 1.902 128 A HA -0.137 4.185 4.320 0.003 0.000 0.217 128 A C 2.589 180.175 177.584 0.003 0.000 1.181 128 A CA 1.604 53.636 52.037 -0.008 0.000 0.623 128 A CB -0.645 18.350 19.000 -0.008 0.000 0.818 128 A HN 0.191 8.341 8.150 0.000 0.000 0.443 129 V N 0.869 120.790 119.914 0.013 0.000 2.358 129 V HA -0.217 3.904 4.120 0.003 0.000 0.246 129 V C 2.973 179.128 176.094 0.101 0.000 1.047 129 V CA 2.256 64.594 62.300 0.063 0.000 1.035 129 V CB -0.767 31.104 31.823 0.080 0.000 0.658 129 V HN 0.833 9.023 8.190 0.000 0.000 0.452 130 S N 0.400 116.116 115.700 0.027 0.000 2.440 130 S HA -0.263 4.209 4.470 0.003 0.000 0.238 130 S C 1.960 176.574 174.600 0.022 0.000 1.010 130 S CA 1.409 59.605 58.200 -0.007 0.000 0.972 130 S CB -0.626 62.535 63.200 -0.066 0.000 0.774 130 S HN 0.590 8.900 8.310 0.000 0.000 0.501 131 R N 0.497 121.014 120.500 0.028 0.000 2.285 131 R HA 0.209 4.550 4.340 0.003 0.000 0.213 131 R C 1.416 177.746 176.300 0.050 0.000 1.068 131 R CA 0.831 56.947 56.100 0.026 0.000 1.004 131 R CB -0.373 29.933 30.300 0.011 0.000 0.873 131 R HN 0.514 8.784 8.270 0.000 0.000 0.467 132 L N -1.292 119.990 121.223 0.097 0.000 2.592 132 L HA 0.155 4.496 4.340 0.003 0.000 0.227 132 L C 2.137 179.106 176.870 0.166 0.000 1.127 132 L CA 0.108 55.029 54.840 0.135 0.000 0.884 132 L CB -0.260 41.907 42.059 0.179 0.000 1.065 132 L HN 0.233 8.463 8.230 0.000 0.000 0.457 133 G N 2.117 110.987 108.800 0.117 0.000 2.514 133 G HA2 -0.202 3.760 3.960 0.003 0.000 0.217 133 G HA3 -0.202 3.760 3.960 0.003 0.000 0.217 133 G C -0.634 174.310 174.900 0.074 0.000 1.198 133 G CA 0.808 45.961 45.100 0.087 0.000 0.780 133 G HN 0.300 8.590 8.290 0.000 0.000 0.565 134 P HA 0.039 4.459 4.420 0.000 0.000 0.216 134 P C 1.958 179.284 177.300 0.043 0.000 1.150 134 P CA 2.325 65.450 63.100 0.041 0.000 0.837 134 P CB -0.274 31.443 31.700 0.030 0.000 0.786 135 E N -0.440 119.792 120.200 0.053 0.000 2.267 135 E HA -0.094 4.258 4.350 0.003 0.000 0.197 135 E C 1.940 178.573 176.600 0.054 0.000 0.998 135 E CA 1.778 58.208 56.400 0.050 0.000 0.830 135 E CB -1.724 28.008 29.700 0.053 0.000 0.751 135 E HN 0.305 8.665 8.360 0.000 0.000 0.491 136 V N -1.992 117.963 119.914 0.068 0.000 3.643 136 V HA 0.603 4.725 4.120 0.003 0.000 0.280 136 V C 2.083 178.194 176.094 0.028 0.000 1.351 136 V CA 1.162 63.494 62.300 0.054 0.000 1.073 136 V CB -0.095 31.777 31.823 0.083 0.000 0.863 136 V HN 1.060 9.250 8.190 0.000 0.000 0.436 137 G N -0.198 108.622 108.800 0.033 0.000 2.159 137 G HA2 -0.115 3.846 3.960 0.003 0.000 0.227 137 G HA3 -0.115 3.846 3.960 0.003 0.000 0.227 137 G C -0.059 174.860 174.900 0.032 0.000 0.986 137 G CA 0.223 45.336 45.100 0.023 0.000 0.651 137 G HN 0.570 8.860 8.290 0.000 0.000 0.523 138 L N -0.192 121.064 121.223 0.055 0.000 2.313 138 L HA 0.741 5.082 4.340 0.003 0.000 0.268 138 L C 0.270 177.188 176.870 0.081 0.000 1.010 138 L CA -1.112 53.785 54.840 0.094 0.000 0.814 138 L CB 1.669 43.834 42.059 0.177 0.000 1.304 138 L HN 0.080 8.310 8.230 0.000 0.000 0.441 139 E N 1.927 122.177 120.200 0.083 0.000 2.197 139 E HA 0.198 4.549 4.350 0.003 0.000 0.281 139 E C -1.636 174.959 176.600 -0.009 0.000 0.995 139 E CA -1.699 54.722 56.400 0.035 0.000 0.808 139 E CB 1.631 31.348 29.700 0.028 0.000 1.093 139 E HN 0.308 8.668 8.360 0.000 0.000 0.394 140 P HA -0.234 4.186 4.420 0.000 0.000 0.216 140 P C 0.453 177.687 177.300 -0.110 0.000 1.154 140 P CA 1.514 64.579 63.100 -0.058 0.000 0.865 140 P CB 0.330 32.009 31.700 -0.034 0.000 0.789 141 E N -0.728 119.420 120.200 -0.087 0.000 2.358 141 E HA 0.035 4.387 4.350 0.003 0.000 0.195 141 E C 2.155 178.668 176.600 -0.145 0.000 1.010 141 E CA 0.643 56.980 56.400 -0.105 0.000 0.856 141 E CB -0.316 29.346 29.700 -0.064 0.000 0.795 141 E HN 0.197 8.557 8.360 0.000 0.000 0.504 142 A N 0.920 123.661 122.820 -0.132 0.000 1.930 142 A HA -0.101 4.221 4.320 0.003 0.000 0.215 142 A C 2.039 179.280 177.584 -0.572 0.000 1.176 142 A CA 0.619 52.566 52.037 -0.149 0.000 0.632 142 A CB -0.284 18.754 19.000 0.063 0.000 0.819 142 A HN 0.220 8.370 8.150 0.000 0.000 0.445 143 L N -0.037 120.791 121.223 -0.657 0.000 2.017 143 L HA -0.047 4.295 4.340 0.003 0.000 0.208 143 L C 2.205 178.609 176.870 -0.778 0.000 1.073 143 L CA 1.637 55.836 54.840 -1.068 0.000 0.745 143 L CB -0.896 40.869 42.059 -0.491 0.000 0.894 143 L HN 0.391 8.621 8.230 0.000 0.000 0.432 144 L N -0.657 120.312 121.223 -0.423 0.000 2.127 144 L HA -0.217 4.125 4.340 0.003 0.000 0.211 144 L C 2.574 179.273 176.870 -0.285 0.000 1.089 144 L CA 1.110 55.778 54.840 -0.287 0.000 0.757 144 L CB -0.678 41.276 42.059 -0.175 0.000 0.899 144 L HN 0.422 8.652 8.230 0.000 0.000 0.434 145 A N 0.035 122.667 122.820 -0.313 0.000 1.877 145 A HA -0.135 4.186 4.320 0.003 0.000 0.216 145 A C 2.377 179.790 177.584 -0.285 0.000 1.186 145 A CA 1.728 53.626 52.037 -0.232 0.000 0.620 145 A CB -1.230 17.675 19.000 -0.158 0.000 0.822 145 A HN 0.437 8.587 8.150 0.000 0.000 0.443 146 G N 0.739 109.183 108.800 -0.593 0.000 2.421 146 G HA2 -0.133 3.828 3.960 0.003 0.000 0.216 146 G HA3 -0.133 3.828 3.960 0.003 0.000 0.216 146 G C 1.342 176.043 174.900 -0.332 0.000 1.171 146 G CA 1.330 46.047 45.100 -0.638 0.000 0.775 146 G HN 0.884 9.174 8.290 0.000 0.000 0.543 147 I N -0.867 119.475 120.570 -0.380 0.000 3.291 147 I HA 0.413 4.585 4.170 0.003 0.000 0.279 147 I C 2.216 178.281 176.117 -0.087 0.000 1.294 147 I CA 0.638 61.847 61.300 -0.153 0.000 1.428 147 I CB -0.049 37.869 38.000 -0.136 0.000 1.070 147 I HN 0.067 8.277 8.210 0.000 0.000 0.478 148 A N 0.041 122.796 122.820 -0.107 0.000 2.195 148 A HA 0.098 4.419 4.320 0.003 0.000 0.210 148 A C 0.720 178.284 177.584 -0.033 0.000 1.165 148 A CA 0.032 52.031 52.037 -0.065 0.000 0.806 148 A CB -0.704 18.250 19.000 -0.076 0.000 0.847 148 A HN 0.489 8.639 8.150 0.000 0.000 0.482 149 D N 0.200 120.587 120.400 -0.022 0.000 2.371 149 D HA 0.252 4.894 4.640 0.003 0.000 0.256 149 D C -1.522 174.790 176.300 0.019 0.000 1.193 149 D CA -1.502 52.503 54.000 0.008 0.000 0.881 149 D CB 1.143 41.965 40.800 0.036 0.000 1.143 149 D HN 0.010 8.380 8.370 0.000 0.000 0.473 150 P HA -0.194 4.226 4.420 0.000 0.000 0.216 150 P C 0.823 178.137 177.300 0.023 0.000 1.150 150 P CA 1.296 64.405 63.100 0.016 0.000 0.843 150 P CB 0.119 31.826 31.700 0.010 0.000 0.787 151 A N -0.610 122.227 122.820 0.028 0.000 1.873 151 A HA -0.167 4.155 4.320 0.003 0.000 0.215 151 A C 2.252 179.861 177.584 0.042 0.000 1.186 151 A CA 1.468 53.524 52.037 0.031 0.000 0.616 151 A CB -1.665 17.354 19.000 0.031 0.000 0.823 151 A HN 0.193 8.343 8.150 0.000 0.000 0.442 152 L N -0.282 120.978 121.223 0.062 0.000 2.042 152 L HA -0.228 4.114 4.340 0.003 0.000 0.210 152 L C 2.437 179.352 176.870 0.075 0.000 1.076 152 L CA 2.141 57.034 54.840 0.088 0.000 0.749 152 L CB -0.314 41.830 42.059 0.141 0.000 0.893 152 L HN 0.344 8.574 8.230 0.000 0.000 0.432 153 K N -0.268 120.168 120.400 0.060 0.000 2.044 153 K HA -0.250 4.072 4.320 0.003 0.000 0.210 153 K C 2.249 178.874 176.600 0.041 0.000 1.049 153 K CA 2.033 58.352 56.287 0.052 0.000 0.927 153 K CB -0.503 32.018 32.500 0.035 0.000 0.713 153 K HN 0.605 8.855 8.250 0.000 0.000 0.443 154 E N 0.978 121.196 120.200 0.030 0.000 2.072 154 E HA -0.145 4.206 4.350 0.003 0.000 0.191 154 E C 2.030 178.637 176.600 0.012 0.000 0.985 154 E CA 1.842 58.254 56.400 0.019 0.000 0.801 154 E CB -1.267 28.441 29.700 0.014 0.000 0.750 154 E HN 0.346 8.706 8.360 0.000 0.000 0.452 155 T N 0.310 114.871 114.554 0.011 0.000 2.708 155 T HA -0.113 4.239 4.350 0.003 0.000 0.266 155 T C 2.208 176.876 174.700 -0.052 0.000 1.037 155 T CA 1.541 63.632 62.100 -0.014 0.000 1.146 155 T CB -0.320 68.545 68.868 -0.005 0.000 0.865 155 T HN 0.291 8.531 8.240 0.000 0.000 0.435 156 V N 1.737 121.638 119.914 -0.022 0.000 2.233 156 V HA -0.230 3.891 4.120 0.003 0.000 0.247 156 V C 2.571 178.663 176.094 -0.004 0.000 1.050 156 V CA 2.156 64.433 62.300 -0.037 0.000 1.010 156 V CB -0.695 31.209 31.823 0.135 0.000 0.637 156 V HN 0.389 8.579 8.190 0.000 0.000 0.444 157 R N 0.409 120.931 120.500 0.037 0.000 2.113 157 R HA -0.274 4.068 4.340 0.003 0.000 0.244 157 R C 2.452 178.770 176.300 0.031 0.000 1.142 157 R CA 2.371 58.498 56.100 0.045 0.000 0.953 157 R CB -0.388 29.934 30.300 0.036 0.000 0.860 157 R HN 0.487 8.757 8.270 0.000 0.000 0.438 158 K N 0.509 120.912 120.400 0.005 0.000 2.057 158 K HA -0.147 4.174 4.320 0.003 0.000 0.207 158 K C 2.104 178.700 176.600 -0.007 0.000 1.049 158 K CA 1.790 58.074 56.287 -0.005 0.000 0.931 158 K CB -0.155 32.337 32.500 -0.013 0.000 0.714 158 K HN 0.283 8.533 8.250 0.000 0.000 0.440 159 I N 0.500 121.053 120.570 -0.029 0.000 2.194 159 I HA -0.247 3.924 4.170 0.003 0.000 0.246 159 I C 2.464 178.634 176.117 0.088 0.000 1.093 159 I CA 1.547 62.846 61.300 -0.003 0.000 1.355 159 I CB -0.634 37.274 38.000 -0.154 0.000 1.046 159 I HN 0.340 8.550 8.210 0.000 0.000 0.413 160 G N 0.123 109.000 108.800 0.128 0.000 2.414 160 G HA2 -0.208 3.753 3.960 0.003 0.000 0.215 160 G HA3 -0.208 3.753 3.960 0.003 0.000 0.215 160 G C 1.496 176.449 174.900 0.089 0.000 1.188 160 G CA 0.576 45.809 45.100 0.220 0.000 0.783 160 G HN 0.364 8.654 8.290 0.000 0.000 0.537 161 E N 0.479 120.709 120.200 0.050 0.000 2.048 161 E HA -0.174 4.177 4.350 0.003 0.000 0.202 161 E C 2.247 178.819 176.600 -0.047 0.000 1.021 161 E CA 1.512 57.914 56.400 0.004 0.000 0.825 161 E CB -0.083 29.617 29.700 0.001 0.000 0.756 161 E HN 0.261 8.621 8.360 0.000 0.000 0.454 162 D N -0.102 120.266 120.400 -0.054 0.000 2.123 162 D HA -0.157 4.484 4.640 0.003 0.000 0.196 162 D C 1.797 177.990 176.300 -0.178 0.000 0.992 162 D CA 1.321 55.269 54.000 -0.087 0.000 0.833 162 D CB -0.382 40.385 40.800 -0.055 0.000 0.954 162 D HN 0.227 8.597 8.370 0.000 0.000 0.455 163 A N 0.430 123.086 122.820 -0.273 0.000 1.908 163 A HA -0.168 4.153 4.320 0.003 0.000 0.218 163 A C 2.502 179.785 177.584 -0.503 0.000 1.181 163 A CA 1.325 53.000 52.037 -0.604 0.000 0.627 163 A CB -0.786 17.542 19.000 -1.120 0.000 0.818 163 A HN 0.165 8.315 8.150 0.000 0.000 0.445 164 V N -0.317 119.426 119.914 -0.286 0.000 2.343 164 V HA -0.236 3.886 4.120 0.003 0.000 0.247 164 V C 3.040 179.033 176.094 -0.169 0.000 1.051 164 V CA 1.925 64.116 62.300 -0.182 0.000 1.036 164 V CB -1.089 30.700 31.823 -0.057 0.000 0.654 164 V HN 0.623 8.813 8.190 0.000 0.000 0.451 165 A N -0.142 122.591 122.820 -0.144 0.000 1.972 165 A HA -0.179 4.142 4.320 0.003 0.000 0.219 165 A C 2.181 179.685 177.584 -0.134 0.000 1.169 165 A CA 1.298 53.266 52.037 -0.116 0.000 0.635 165 A CB -0.437 18.510 19.000 -0.088 0.000 0.810 165 A HN 0.544 8.694 8.150 0.000 0.000 0.446 166 R N -0.930 119.457 120.500 -0.188 0.000 2.325 166 R HA 0.191 4.533 4.340 0.003 0.000 0.214 166 R C 0.978 177.144 176.300 -0.223 0.000 0.961 166 R CA 0.447 56.431 56.100 -0.193 0.000 1.086 166 R CB -0.285 29.883 30.300 -0.220 0.000 1.037 166 R HN 0.649 8.919 8.270 0.000 0.000 0.493 167 G N 1.686 110.353 108.800 -0.221 0.000 2.198 167 G HA2 -0.221 3.740 3.960 0.003 0.000 0.257 167 G HA3 -0.221 3.740 3.960 0.003 0.000 0.257 167 G C 0.037 174.689 174.900 -0.414 0.000 1.042 167 G CA -0.307 44.683 45.100 -0.182 0.000 0.791 167 G HN 0.199 8.489 8.290 0.000 0.000 0.502 168 I N 0.498 120.655 120.570 -0.687 0.000 2.353 168 I HA 0.692 4.864 4.170 0.003 0.000 0.293 168 I C 0.476 176.134 176.117 -0.766 0.000 0.992 168 I CA -0.534 59.981 61.300 -1.308 0.000 1.268 168 I CB 0.517 37.620 38.000 -1.496 0.000 1.387 168 I HN 0.260 8.470 8.210 0.000 0.000 0.478 169 F N 2.828 122.268 119.950 -0.850 0.000 2.645 169 F HA 0.861 5.389 4.527 0.003 0.000 0.310 169 F C 0.169 175.893 175.800 -0.127 0.000 1.102 169 F CA -0.587 57.209 58.000 -0.340 0.000 0.952 169 F CB 1.069 39.843 39.000 -0.377 0.000 1.326 169 F HN 0.772 9.072 8.300 0.000 0.000 0.456 170 G N 0.783 109.742 108.800 0.266 0.000 2.693 170 G HA2 0.301 4.263 3.960 0.003 0.000 0.226 170 G HA3 0.301 4.263 3.960 0.003 0.000 0.226 170 G C -0.704 174.507 174.900 0.519 0.000 1.354 170 G CA -0.302 45.053 45.100 0.426 0.000 0.873 170 G HN 1.862 10.152 8.290 0.000 0.000 0.562 171 S N 0.902 116.994 115.700 0.654 0.000 2.599 171 S HA 0.663 5.135 4.470 0.003 0.000 0.269 171 S C -2.955 171.969 174.600 0.541 0.000 1.135 171 S CA 0.077 58.603 58.200 0.544 0.000 1.027 171 S CB 2.080 65.546 63.200 0.443 0.000 1.129 171 S HN 0.798 9.108 8.310 0.000 0.000 0.458 172 P HA 0.534 4.954 4.420 0.000 0.000 0.287 172 P C -1.390 176.060 177.300 0.251 0.000 1.270 172 P CA -0.620 62.670 63.100 0.316 0.000 0.844 172 P CB 0.646 32.495 31.700 0.248 0.000 1.068 173 F N 2.173 122.116 119.950 -0.012 0.000 2.499 173 F HA 0.524 5.052 4.527 0.002 0.000 0.333 173 F C -1.331 174.435 175.800 -0.057 0.000 1.138 173 F CA -0.860 57.150 58.000 0.016 0.000 0.945 173 F CB 0.862 39.839 39.000 -0.039 0.000 1.181 173 F HN 0.072 8.372 8.300 0.000 0.000 0.435 174 F N 7.034 127.002 119.950 0.030 0.000 2.411 174 F HA 0.524 5.053 4.527 0.002 0.000 0.352 174 F C -0.854 175.001 175.800 0.092 0.000 1.123 174 F CA -1.032 57.065 58.000 0.162 0.000 1.044 174 F CB 1.433 40.472 39.000 0.065 0.000 1.135 174 F HN 0.211 8.511 8.300 0.000 0.000 0.461 175 L N 4.895 126.374 121.223 0.426 0.000 2.294 175 L HA 0.689 5.031 4.340 0.003 0.000 0.283 175 L C -1.089 175.958 176.870 0.295 0.000 1.015 175 L CA -0.604 54.430 54.840 0.325 0.000 0.831 175 L CB 1.445 43.713 42.059 0.348 0.000 1.217 175 L HN 0.492 8.722 8.230 0.000 0.000 0.420 176 V N 4.959 125.029 119.914 0.259 0.000 2.483 176 V HA 0.471 4.592 4.120 0.003 0.000 0.297 176 V C -0.859 175.374 176.094 0.231 0.000 1.027 176 V CA -0.465 61.969 62.300 0.225 0.000 0.855 176 V CB 1.499 33.430 31.823 0.180 0.000 0.995 176 V HN 0.848 9.038 8.190 0.000 0.000 0.424 177 D N 5.164 125.681 120.400 0.195 0.000 2.686 177 D HA -0.181 4.461 4.640 0.003 0.000 0.235 177 D C 0.622 177.022 176.300 0.166 0.000 1.160 177 D CA 1.418 55.527 54.000 0.183 0.000 0.645 177 D CB -0.698 40.228 40.800 0.211 0.000 1.039 177 D HN 0.961 9.331 8.370 0.000 0.000 0.423 178 D N -2.278 118.199 120.400 0.127 0.000 2.653 178 D HA -0.236 4.406 4.640 0.003 0.000 0.184 178 D C 0.397 176.702 176.300 0.008 0.000 0.993 178 D CA 1.676 55.721 54.000 0.076 0.000 1.027 178 D CB -0.806 40.032 40.800 0.063 0.000 1.089 178 D HN 0.536 8.906 8.370 0.000 0.000 0.447 179 E N 2.253 122.440 120.200 -0.023 0.000 2.223 179 E HA 0.308 4.659 4.350 0.003 0.000 0.282 179 E C -2.480 173.911 176.600 -0.348 0.000 1.046 179 E CA -1.629 54.575 56.400 -0.326 0.000 0.857 179 E CB 1.008 30.308 29.700 -0.668 0.000 1.055 179 E HN 0.029 8.389 8.360 0.000 0.000 0.409 180 P HA 0.205 4.625 4.420 0.000 0.000 0.285 180 P C -1.100 175.696 177.300 -0.840 0.000 1.259 180 P CA -0.208 62.622 63.100 -0.449 0.000 0.794 180 P CB 0.399 32.003 31.700 -0.160 0.000 0.940 181 F N 2.411 122.051 119.950 -0.517 0.000 2.553 181 F HA 0.306 4.834 4.527 0.002 0.000 0.335 181 F C -0.265 175.348 175.800 -0.311 0.000 1.148 181 F CA -0.598 57.212 58.000 -0.317 0.000 0.963 181 F CB 1.248 40.132 39.000 -0.193 0.000 1.217 181 F HN 0.306 8.606 8.300 0.000 0.000 0.441 182 W N 4.939 126.069 121.300 -0.283 0.000 2.361 182 W HA 0.682 5.344 4.660 0.002 0.000 0.309 182 W C -0.003 176.564 176.519 0.081 0.000 1.122 182 W CA -0.643 56.584 57.345 -0.197 0.000 1.208 182 W CB 1.144 30.534 29.460 -0.117 0.000 1.246 182 W HN 0.882 9.062 8.180 0.000 0.000 0.490 183 G N 5.281 114.015 108.800 -0.109 0.000 2.650 183 G HA2 -0.306 3.656 3.960 0.003 0.000 0.686 183 G HA3 -0.306 3.656 3.960 0.003 0.000 0.686 183 G C -0.340 174.653 174.900 0.155 0.000 1.205 183 G CA -0.341 44.618 45.100 -0.236 0.000 0.781 183 G HN 1.136 9.426 8.290 0.000 0.000 0.648 184 W N 0.853 122.162 121.300 0.016 0.000 2.342 184 W HA -0.049 4.613 4.660 0.002 0.000 0.297 184 W C 1.764 178.276 176.519 -0.012 0.000 1.213 184 W CA 2.405 59.819 57.345 0.115 0.000 1.251 184 W CB 0.048 29.614 29.460 0.178 0.000 1.136 184 W HN 0.620 8.800 8.180 0.000 0.000 0.526 185 D N 0.045 120.315 120.400 -0.217 0.000 2.221 185 D HA -0.130 4.512 4.640 0.003 0.000 0.204 185 D C 1.431 177.518 176.300 -0.356 0.000 0.982 185 D CA 1.053 54.815 54.000 -0.397 0.000 0.857 185 D CB -0.190 40.484 40.800 -0.211 0.000 0.934 185 D HN 0.022 8.392 8.370 0.000 0.000 0.475 192 E N 0.154 120.372 120.200 0.030 0.000 2.110 192 E HA -0.182 4.169 4.350 0.003 0.000 0.193 192 E C 1.622 178.442 176.600 0.366 0.000 0.988 192 E CA 1.919 58.423 56.400 0.174 0.000 0.804 192 E CB -0.228 29.580 29.700 0.181 0.000 0.745 192 E HN 0.683 9.043 8.360 0.000 0.000 0.458 193 W N 0.421 121.830 121.300 0.183 0.000 2.374 193 W HA -0.134 4.528 4.660 0.002 0.000 0.288 193 W C 1.532 178.055 176.519 0.006 0.000 1.218 193 W CA 1.137 58.518 57.345 0.059 0.000 1.245 193 W CB -0.105 29.338 29.460 -0.028 0.000 1.126 193 W HN 0.148 8.328 8.180 0.000 0.000 0.545 194 I N 0.163 120.803 120.570 0.116 0.000 2.277 194 I HA -0.232 3.939 4.170 0.003 0.000 0.243 194 I C 2.702 178.810 176.117 -0.016 0.000 1.094 194 I CA 0.986 62.307 61.300 0.035 0.000 1.393 194 I CB -0.551 37.459 38.000 0.016 0.000 1.078 194 I HN -0.248 7.962 8.210 0.000 0.000 0.417 195 R N 0.338 120.837 120.500 -0.002 0.000 2.081 195 R HA -0.144 4.197 4.340 0.003 0.000 0.235 195 R C 2.184 178.472 176.300 -0.021 0.000 1.131 195 R CA 2.085 58.178 56.100 -0.011 0.000 0.960 195 R CB -0.689 29.607 30.300 -0.007 0.000 0.856 195 R HN 0.465 8.735 8.270 0.000 0.000 0.436 196 T N -3.147 111.402 114.554 -0.007 0.000 3.129 196 T HA 0.167 4.518 4.350 0.003 0.000 0.251 196 T C 1.464 176.099 174.700 -0.108 0.000 1.117 196 T CA 0.566 62.656 62.100 -0.017 0.000 1.034 196 T CB 0.589 69.507 68.868 0.083 0.000 0.968 196 T HN 0.442 8.682 8.240 0.000 0.000 0.526 197 G N 0.709 109.399 108.800 -0.182 0.000 2.220 197 G HA2 0.143 4.104 3.960 0.003 0.000 0.269 197 G HA3 0.143 4.104 3.960 0.003 0.000 0.269 197 G C 0.777 175.334 174.900 -0.571 0.000 0.977 197 G CA 0.213 45.151 45.100 -0.271 0.000 0.634 197 G HN 1.902 10.192 8.290 0.000 0.000 0.539 198 G N -2.347 106.003 108.800 -0.750 0.000 2.354 198 G HA2 0.531 4.493 3.960 0.003 0.000 0.582 198 G HA3 0.531 4.493 3.960 0.003 0.000 0.582 198 G C -0.496 174.079 174.900 -0.542 0.000 1.316 198 G CA 0.247 44.470 45.100 -1.462 0.000 0.995 198 G HN 2.106 10.396 8.290 0.000 0.000 0.573 199 W N 0.000 120.954 121.300 -0.576 0.000 2.388 199 W HA 0.000 4.662 4.660 0.003 0.000 0.303 199 W CA 0.000 57.273 57.345 -0.120 0.000 1.226 199 W CB 0.000 29.451 29.460 -0.014 0.000 1.126 199 W HN 0.000 8.180 8.180 0.000 0.000 0.535