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 1zp9_1_B DATA FIRST_RESID 2 DATA SEQUENCE KDLKKIESYL DKLRIKEKDG EERKIYAEVL DGRTLKTLYK LSAKGYITAX DATA SEQUENCE GGVISTGKEA NVFYADGVFD GKPVAXAVKI YRIXXXXXXX XDEYLYGDER DATA SEQUENCE FXXXXXXXKE KVFIWTEKEF RNLERAKEAG VSVPQPYTYX KNVLLXEFIG DATA SEQUENCE EDELPAPTLV ELGRELKELD VEGIFNDVVE NVKRLYQEAE LVHADLSEYN DATA SEQUENCE IXYIDKVYFI DXGQAVTLRH PXAESYLERD VRNIIRFFSK YGVKADFEEX DATA SEQUENCE LKEVKGE 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 2 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 2 K C 0.000 176.615 176.600 0.025 0.000 0.988 2 K CA 0.000 56.296 56.287 0.015 0.000 0.838 2 K CB 0.000 32.509 32.500 0.015 0.000 1.064 3 D N 1.384 121.802 120.400 0.030 0.000 2.104 3 D HA 0.025 4.659 4.640 -0.011 0.000 0.194 3 D C 2.019 178.345 176.300 0.043 0.000 0.994 3 D CA 1.714 55.738 54.000 0.040 0.000 0.830 3 D CB -0.455 40.367 40.800 0.037 0.000 0.959 3 D HN 0.447 8.817 8.370 -0.000 0.000 0.452 4 L N -0.324 120.919 121.223 0.033 0.000 2.141 4 L HA 0.039 4.373 4.340 -0.011 0.000 0.209 4 L C 3.449 180.333 176.870 0.024 0.000 1.094 4 L CA 1.559 56.417 54.840 0.031 0.000 0.763 4 L CB -0.572 41.501 42.059 0.024 0.000 0.908 4 L HN 0.459 8.689 8.230 -0.000 0.000 0.437 5 K N 1.059 121.467 120.400 0.015 0.000 2.025 5 K HA -0.154 4.160 4.320 -0.011 0.000 0.207 5 K C 2.477 179.072 176.600 -0.008 0.000 1.049 5 K CA 1.970 58.256 56.287 -0.002 0.000 0.933 5 K CB -1.213 31.282 32.500 -0.008 0.000 0.714 5 K HN 0.383 8.633 8.250 -0.000 0.000 0.438 6 K N 0.975 121.386 120.400 0.019 0.000 2.026 6 K HA 0.078 4.392 4.320 -0.011 0.000 0.208 6 K C 2.301 178.967 176.600 0.110 0.000 1.048 6 K CA 1.487 57.802 56.287 0.047 0.000 0.929 6 K CB -0.800 31.767 32.500 0.111 0.000 0.713 6 K HN 0.500 8.750 8.250 -0.000 0.000 0.439 7 I N 0.911 121.545 120.570 0.108 0.000 2.118 7 I HA -0.316 3.848 4.170 -0.011 0.000 0.241 7 I C 2.647 178.808 176.117 0.074 0.000 1.070 7 I CA 1.539 62.907 61.300 0.114 0.000 1.327 7 I CB -0.155 37.894 38.000 0.082 0.000 1.034 7 I HN 0.432 8.642 8.210 -0.000 0.000 0.405 8 E N 0.051 120.265 120.200 0.023 0.000 2.110 8 E HA -0.197 4.147 4.350 -0.011 0.000 0.193 8 E C 2.256 178.820 176.600 -0.059 0.000 0.988 8 E CA 1.301 57.693 56.400 -0.013 0.000 0.804 8 E CB -0.347 29.342 29.700 -0.018 0.000 0.745 8 E HN 0.357 8.717 8.360 -0.000 0.000 0.458 9 S N -0.200 115.439 115.700 -0.101 0.000 2.356 9 S HA -0.163 4.300 4.470 -0.011 0.000 0.223 9 S C 1.989 176.410 174.600 -0.297 0.000 1.032 9 S CA 1.036 59.105 58.200 -0.218 0.000 1.005 9 S CB -0.293 62.726 63.200 -0.302 0.000 0.867 9 S HN 0.308 8.618 8.310 -0.000 0.000 0.449 10 Y N 0.639 120.848 120.300 -0.152 0.000 2.242 10 Y HA -0.053 4.487 4.550 -0.017 0.000 0.291 10 Y C 2.213 177.991 175.900 -0.203 0.000 1.137 10 Y CA 0.607 58.577 58.100 -0.217 0.000 1.181 10 Y CB -0.154 38.223 38.460 -0.138 0.000 0.989 10 Y HN 0.243 8.523 8.280 -0.000 0.000 0.527 11 L N 0.233 121.460 121.223 0.006 0.000 2.042 11 L HA -0.252 4.081 4.340 -0.011 0.000 0.210 11 L C 1.802 178.606 176.870 -0.110 0.000 1.076 11 L CA 1.695 56.489 54.840 -0.077 0.000 0.749 11 L CB -1.179 40.840 42.059 -0.066 0.000 0.893 11 L HN 0.247 8.477 8.230 -0.000 0.000 0.432 12 D N -0.368 119.966 120.400 -0.110 0.000 2.117 12 D HA -0.182 4.452 4.640 -0.011 0.000 0.197 12 D C 2.153 178.374 176.300 -0.133 0.000 0.987 12 D CA 1.068 55.000 54.000 -0.113 0.000 0.829 12 D CB 0.001 40.735 40.800 -0.111 0.000 0.961 12 D HN 0.350 8.720 8.370 -0.000 0.000 0.460 13 K N 0.285 120.555 120.400 -0.215 0.000 2.097 13 K HA -0.025 4.289 4.320 -0.011 0.000 0.206 13 K C 2.160 178.680 176.600 -0.135 0.000 1.049 13 K CA 0.526 56.631 56.287 -0.303 0.000 0.933 13 K CB -0.120 31.908 32.500 -0.787 0.000 0.717 13 K HN 0.171 8.421 8.250 -0.000 0.000 0.442 14 L N 0.755 121.920 121.223 -0.096 0.000 2.551 14 L HA 0.028 4.362 4.340 -0.011 0.000 0.228 14 L C 0.119 176.966 176.870 -0.038 0.000 1.153 14 L CA 0.173 55.012 54.840 -0.002 0.000 0.851 14 L CB -0.300 41.734 42.059 -0.041 0.000 0.959 14 L HN 0.190 8.420 8.230 -0.000 0.000 0.451 15 R N 0.375 120.840 120.500 -0.059 0.000 3.422 15 R HA -0.158 4.175 4.340 -0.011 0.000 0.267 15 R C -0.496 175.744 176.300 -0.101 0.000 1.074 15 R CA 0.410 56.474 56.100 -0.060 0.000 0.718 15 R CB -2.105 28.182 30.300 -0.023 0.000 1.157 15 R HN 0.217 8.487 8.270 -0.000 0.000 0.440 16 I N 1.696 122.167 120.570 -0.164 0.000 2.281 16 I HA 0.170 4.333 4.170 -0.011 0.000 0.293 16 I C 0.830 176.867 176.117 -0.133 0.000 1.085 16 I CA 0.071 61.234 61.300 -0.227 0.000 1.257 16 I CB 0.693 38.411 38.000 -0.470 0.000 1.430 16 I HN -0.018 8.192 8.210 -0.000 0.000 0.489 17 K N 5.062 125.412 120.400 -0.084 0.000 2.123 17 K HA 0.279 4.593 4.320 -0.011 0.000 0.259 17 K C 1.036 177.619 176.600 -0.028 0.000 0.960 17 K CA -0.766 55.492 56.287 -0.048 0.000 0.872 17 K CB 1.901 34.380 32.500 -0.034 0.000 1.079 17 K HN 0.309 8.559 8.250 -0.000 0.000 0.440 18 E N 2.119 122.308 120.200 -0.019 0.000 2.147 18 E HA -0.281 4.062 4.350 -0.011 0.000 0.199 18 E C 1.380 177.981 176.600 0.002 0.000 1.005 18 E CA 1.778 58.175 56.400 -0.004 0.000 0.810 18 E CB -0.047 29.651 29.700 -0.003 0.000 0.736 18 E HN 0.562 8.922 8.360 -0.000 0.000 0.460 19 K N 0.846 121.245 120.400 -0.002 0.000 2.365 19 K HA -0.057 4.257 4.320 -0.011 0.000 0.199 19 K C 0.465 177.070 176.600 0.008 0.000 1.045 19 K CA 0.924 57.212 56.287 0.003 0.000 0.962 19 K CB 0.103 32.603 32.500 -0.001 0.000 0.759 19 K HN -0.150 8.100 8.250 -0.000 0.000 0.469 20 D N 2.410 122.814 120.400 0.007 0.000 2.977 20 D HA 0.099 4.732 4.640 -0.011 0.000 0.241 20 D C 1.011 177.333 176.300 0.036 0.000 1.206 20 D CA 0.848 54.858 54.000 0.017 0.000 0.902 20 D CB -0.147 40.659 40.800 0.009 0.000 1.131 20 D HN 0.486 8.856 8.370 -0.000 0.000 0.447 21 G N 1.871 110.690 108.800 0.032 0.000 2.596 21 G HA2 -0.381 3.573 3.960 -0.011 0.000 0.295 21 G HA3 -0.381 3.573 3.960 -0.011 0.000 0.295 21 G C 0.763 175.694 174.900 0.052 0.000 1.240 21 G CA -0.007 45.117 45.100 0.040 0.000 0.985 21 G HN 0.415 8.705 8.290 -0.000 0.000 0.555 22 E N 1.101 121.341 120.200 0.067 0.000 2.489 22 E HA 0.121 4.464 4.350 -0.011 0.000 0.193 22 E C 2.150 178.823 176.600 0.123 0.000 1.057 22 E CA 0.541 56.988 56.400 0.079 0.000 0.866 22 E CB 0.099 29.841 29.700 0.070 0.000 0.916 22 E HN 0.684 9.044 8.360 -0.000 0.000 0.500 23 E N 1.266 121.558 120.200 0.153 0.000 2.049 23 E HA -0.259 4.084 4.350 -0.011 0.000 0.198 23 E C 2.084 178.862 176.600 0.297 0.000 1.007 23 E CA 1.087 57.655 56.400 0.279 0.000 0.809 23 E CB -0.094 29.758 29.700 0.253 0.000 0.749 23 E HN 0.110 8.470 8.360 -0.000 0.000 0.450 24 R N 0.993 121.567 120.500 0.124 0.000 2.083 24 R HA -0.207 4.127 4.340 -0.011 0.000 0.237 24 R C 2.225 178.602 176.300 0.127 0.000 1.137 24 R CA 1.636 57.777 56.100 0.068 0.000 0.951 24 R CB 0.024 30.328 30.300 0.007 0.000 0.851 24 R HN -0.130 8.140 8.270 -0.000 0.000 0.434 25 K N 0.713 121.182 120.400 0.114 0.000 2.103 25 K HA -0.015 4.299 4.320 -0.011 0.000 0.204 25 K C 1.809 178.490 176.600 0.134 0.000 1.052 25 K CA 1.293 57.642 56.287 0.104 0.000 0.945 25 K CB -0.250 32.294 32.500 0.073 0.000 0.722 25 K HN 0.252 8.502 8.250 -0.000 0.000 0.443 26 I N -0.504 120.167 120.570 0.169 0.000 2.090 26 I HA -0.322 3.841 4.170 -0.011 0.000 0.236 26 I C 1.741 177.984 176.117 0.211 0.000 1.064 26 I CA 1.411 62.810 61.300 0.165 0.000 1.324 26 I CB -0.513 37.575 38.000 0.147 0.000 1.044 26 I HN 0.059 8.269 8.210 -0.000 0.000 0.399 27 Y N 1.011 121.402 120.300 0.151 0.000 2.096 27 Y HA -0.396 4.147 4.550 -0.011 0.000 0.276 27 Y C 2.635 178.568 175.900 0.055 0.000 1.209 27 Y CA 1.972 60.125 58.100 0.088 0.000 1.137 27 Y CB -0.899 37.548 38.460 -0.021 0.000 0.956 27 Y HN 0.208 8.488 8.280 -0.000 0.000 0.506 28 A N -0.817 122.135 122.820 0.219 0.000 1.969 28 A HA -0.187 4.127 4.320 -0.011 0.000 0.218 28 A C 2.085 179.730 177.584 0.100 0.000 1.169 28 A CA 1.855 53.971 52.037 0.131 0.000 0.635 28 A CB -0.466 18.590 19.000 0.093 0.000 0.810 28 A HN 0.411 8.561 8.150 -0.000 0.000 0.445 29 E N -0.151 120.108 120.200 0.099 0.000 2.086 29 E HA -0.081 4.263 4.350 -0.011 0.000 0.190 29 E C 1.891 178.533 176.600 0.071 0.000 0.975 29 E CA 1.595 58.039 56.400 0.073 0.000 0.813 29 E CB -0.204 29.535 29.700 0.064 0.000 0.768 29 E HN 0.491 8.851 8.360 -0.000 0.000 0.457 30 V N -1.283 118.683 119.914 0.086 0.000 3.235 30 V HA 0.270 4.383 4.120 -0.011 0.000 0.259 30 V C 1.072 177.221 176.094 0.091 0.000 1.133 30 V CA 0.137 62.484 62.300 0.079 0.000 1.128 30 V CB -0.333 31.535 31.823 0.075 0.000 0.757 30 V HN 0.003 8.193 8.190 -0.000 0.000 0.469 31 L N 1.215 122.494 121.223 0.094 0.000 2.347 31 L HA 0.666 5.000 4.340 -0.011 0.000 0.268 31 L C -0.550 176.361 176.870 0.067 0.000 1.019 31 L CA -0.813 54.074 54.840 0.078 0.000 0.806 31 L CB 1.450 43.541 42.059 0.052 0.000 1.339 31 L HN 0.376 8.606 8.230 -0.000 0.000 0.463 32 D N -1.567 118.867 120.400 0.057 0.000 2.531 32 D HA 0.309 4.942 4.640 -0.011 0.000 0.244 32 D C 0.638 176.965 176.300 0.045 0.000 1.090 32 D CA -0.435 53.598 54.000 0.055 0.000 0.989 32 D CB 1.173 42.006 40.800 0.055 0.000 1.433 32 D HN 0.489 8.859 8.370 -0.000 0.000 0.492 33 G N -0.173 108.663 108.800 0.060 0.000 2.418 33 G HA2 -0.327 3.627 3.960 -0.011 0.000 0.217 33 G HA3 -0.327 3.627 3.960 -0.011 0.000 0.217 33 G C 1.381 176.277 174.900 -0.006 0.000 1.158 33 G CA 1.281 46.427 45.100 0.076 0.000 0.771 33 G HN 0.690 8.980 8.290 -0.000 0.000 0.545 34 R N -0.407 120.104 120.500 0.018 0.000 2.096 34 R HA 0.021 4.355 4.340 -0.011 0.000 0.235 34 R C 2.197 178.471 176.300 -0.043 0.000 1.127 34 R CA 1.983 58.085 56.100 0.003 0.000 0.968 34 R CB -1.110 29.225 30.300 0.059 0.000 0.861 34 R HN 0.171 8.441 8.270 -0.000 0.000 0.440 35 T N 1.436 115.979 114.554 -0.019 0.000 2.812 35 T HA 0.057 4.400 4.350 -0.011 0.000 0.264 35 T C 1.790 176.424 174.700 -0.110 0.000 1.042 35 T CA 1.295 63.380 62.100 -0.023 0.000 1.140 35 T CB -0.123 68.761 68.868 0.026 0.000 0.870 35 T HN 0.127 8.367 8.240 -0.000 0.000 0.445 36 L N 0.810 121.932 121.223 -0.168 0.000 2.093 36 L HA -0.047 4.287 4.340 -0.011 0.000 0.208 36 L C 2.652 179.161 176.870 -0.601 0.000 1.085 36 L CA 1.222 55.898 54.840 -0.273 0.000 0.755 36 L CB -0.468 41.492 42.059 -0.164 0.000 0.904 36 L HN 0.185 8.415 8.230 -0.000 0.000 0.435 37 K N -0.210 119.669 120.400 -0.868 0.000 2.103 37 K HA -0.192 4.122 4.320 -0.011 0.000 0.207 37 K C 1.983 178.420 176.600 -0.272 0.000 1.048 37 K CA 1.884 57.672 56.287 -0.832 0.000 0.930 37 K CB -0.040 32.196 32.500 -0.440 0.000 0.716 37 K HN 0.247 8.497 8.250 -0.000 0.000 0.444 38 T N 1.799 116.245 114.554 -0.181 0.000 2.737 38 T HA -0.091 4.253 4.350 -0.011 0.000 0.265 38 T C 1.794 176.455 174.700 -0.065 0.000 1.038 38 T CA 1.284 63.324 62.100 -0.099 0.000 1.144 38 T CB -0.149 68.666 68.868 -0.088 0.000 0.866 38 T HN 0.161 8.401 8.240 -0.000 0.000 0.434 39 L N -0.413 120.773 121.223 -0.062 0.000 2.043 39 L HA -0.168 4.165 4.340 -0.011 0.000 0.212 39 L C 2.347 179.252 176.870 0.059 0.000 1.075 39 L CA 1.784 56.620 54.840 -0.007 0.000 0.752 39 L CB -0.603 41.450 42.059 -0.011 0.000 0.891 39 L HN 0.324 8.554 8.230 -0.000 0.000 0.432 40 Y N 0.629 120.873 120.300 -0.093 0.000 2.242 40 Y HA -0.301 4.246 4.550 -0.004 0.000 0.291 40 Y C 2.761 178.666 175.900 0.008 0.000 1.137 40 Y CA 1.512 59.608 58.100 -0.007 0.000 1.181 40 Y CB 0.156 38.671 38.460 0.092 0.000 0.989 40 Y HN 0.016 8.296 8.280 -0.000 0.000 0.527 41 K N 0.547 120.943 120.400 -0.008 0.000 2.009 41 K HA -0.209 4.105 4.320 -0.011 0.000 0.210 41 K C 1.886 178.454 176.600 -0.054 0.000 1.049 41 K CA 1.846 58.097 56.287 -0.059 0.000 0.929 41 K CB -0.493 31.985 32.500 -0.035 0.000 0.714 41 K HN 0.356 8.606 8.250 -0.000 0.000 0.440 42 L N 0.309 121.522 121.223 -0.015 0.000 2.127 42 L HA -0.239 4.095 4.340 -0.011 0.000 0.211 42 L C 2.237 179.142 176.870 0.059 0.000 1.089 42 L CA 1.345 56.215 54.840 0.049 0.000 0.757 42 L CB -0.301 41.774 42.059 0.026 0.000 0.899 42 L HN 0.234 8.464 8.230 -0.000 0.000 0.434 43 S N -0.283 115.407 115.700 -0.016 0.000 2.345 43 S HA -0.091 4.373 4.470 -0.011 0.000 0.219 43 S C 2.211 176.736 174.600 -0.125 0.000 1.031 43 S CA 0.987 59.160 58.200 -0.046 0.000 0.984 43 S CB -0.307 62.867 63.200 -0.042 0.000 0.874 43 S HN 0.492 8.802 8.310 -0.000 0.000 0.451 44 A N 2.171 124.848 122.820 -0.239 0.000 1.940 44 A HA -0.139 4.174 4.320 -0.011 0.000 0.219 44 A C 1.959 179.465 177.584 -0.129 0.000 1.176 44 A CA 1.311 53.209 52.037 -0.232 0.000 0.631 44 A CB -0.370 18.453 19.000 -0.294 0.000 0.814 44 A HN 0.273 8.423 8.150 -0.000 0.000 0.446 45 K N -1.637 118.714 120.400 -0.081 0.000 2.365 45 K HA 0.023 4.337 4.320 -0.011 0.000 0.199 45 K C 1.359 177.875 176.600 -0.142 0.000 1.045 45 K CA 0.934 57.178 56.287 -0.071 0.000 0.962 45 K CB -0.225 32.286 32.500 0.018 0.000 0.759 45 K HN 0.853 9.103 8.250 -0.000 0.000 0.469 46 G N 0.083 108.816 108.800 -0.112 0.000 2.201 46 G HA2 -0.280 3.674 3.960 -0.011 0.000 0.212 46 G HA3 -0.280 3.674 3.960 -0.011 0.000 0.212 46 G C 0.778 175.592 174.900 -0.143 0.000 0.994 46 G CA 0.049 45.059 45.100 -0.150 0.000 0.644 46 G HN 0.197 8.487 8.290 -0.000 0.000 0.508 47 Y N 0.434 120.716 120.300 -0.030 0.000 2.153 47 Y HA 0.354 4.896 4.550 -0.012 0.000 0.289 47 Y C 1.936 177.830 175.900 -0.010 0.000 1.127 47 Y CA 1.333 59.430 58.100 -0.004 0.000 1.131 47 Y CB 0.068 38.538 38.460 0.018 0.000 0.995 47 Y HN 0.303 8.583 8.280 -0.000 0.000 0.505 48 I N -0.032 120.630 120.570 0.154 0.000 2.336 48 I HA 0.101 4.265 4.170 -0.011 0.000 0.292 48 I C 0.792 176.933 176.117 0.040 0.000 0.991 48 I CA 0.009 61.356 61.300 0.079 0.000 1.227 48 I CB 1.771 39.812 38.000 0.069 0.000 1.366 48 I HN 0.028 8.238 8.210 -0.000 0.000 0.466 49 T N 4.298 118.869 114.554 0.028 0.000 3.021 49 T HA 0.379 4.723 4.350 -0.011 0.000 0.245 49 T C 0.450 175.169 174.700 0.032 0.000 1.028 49 T CA 0.378 62.490 62.100 0.020 0.000 1.139 49 T CB 0.441 69.317 68.868 0.013 0.000 0.884 49 T HN 0.720 8.960 8.240 -0.000 0.000 0.457 53 G N -1.094 107.897 108.800 0.318 0.000 2.634 53 G HA2 0.508 4.461 3.960 -0.011 0.000 0.255 53 G HA3 0.508 4.461 3.960 -0.011 0.000 0.255 53 G C -0.191 174.918 174.900 0.348 0.000 1.205 53 G CA 0.001 45.270 45.100 0.281 0.000 0.884 53 G HN 0.969 9.259 8.290 -0.000 0.000 0.549 54 V N 0.922 120.986 119.914 0.249 0.000 2.498 54 V HA 0.178 4.291 4.120 -0.011 0.000 0.279 54 V C 0.954 177.037 176.094 -0.019 0.000 1.048 54 V CA -0.006 62.332 62.300 0.063 0.000 0.967 54 V CB 1.274 33.106 31.823 0.016 0.000 0.988 54 V HN 0.664 8.854 8.190 -0.000 0.000 0.473 55 I N 2.318 122.808 120.570 -0.134 0.000 3.039 55 I HA 0.160 4.323 4.170 -0.011 0.000 0.270 55 I C 0.903 176.954 176.117 -0.109 0.000 1.150 55 I CA 0.790 62.065 61.300 -0.042 0.000 1.448 55 I CB 0.714 38.738 38.000 0.040 0.000 1.197 55 I HN 0.632 8.842 8.210 -0.000 0.000 0.450 56 S N -0.240 115.318 115.700 -0.237 0.000 2.537 56 S HA 0.482 4.946 4.470 -0.011 0.000 0.271 56 S C -0.760 173.668 174.600 -0.286 0.000 1.148 56 S CA -0.546 57.535 58.200 -0.200 0.000 0.868 56 S CB 1.563 64.668 63.200 -0.157 0.000 1.115 56 S HN 0.237 8.547 8.310 -0.000 0.000 0.461 57 T N 0.894 115.334 114.554 -0.190 0.000 2.848 57 T HA 0.851 5.195 4.350 -0.011 0.000 0.285 57 T C 0.100 174.734 174.700 -0.111 0.000 0.995 57 T CA -0.507 61.489 62.100 -0.173 0.000 0.970 57 T CB 1.335 70.130 68.868 -0.122 0.000 0.976 57 T HN 0.883 9.123 8.240 -0.000 0.000 0.441 58 G N 1.157 109.895 108.800 -0.103 0.000 2.798 58 G HA2 0.502 4.456 3.960 -0.011 0.000 0.286 58 G HA3 0.502 4.456 3.960 -0.011 0.000 0.286 58 G C 0.133 175.002 174.900 -0.053 0.000 1.389 58 G CA -1.085 43.970 45.100 -0.074 0.000 0.894 58 G HN 0.635 8.925 8.290 -0.000 0.000 0.488 59 K N -0.594 119.780 120.400 -0.044 0.000 2.217 59 K HA 0.023 4.336 4.320 -0.011 0.000 0.202 59 K C 1.697 178.281 176.600 -0.026 0.000 1.051 59 K CA 1.257 57.524 56.287 -0.034 0.000 0.952 59 K CB 0.248 32.727 32.500 -0.036 0.000 0.736 59 K HN 0.552 8.802 8.250 -0.000 0.000 0.453 60 E N -0.641 119.545 120.200 -0.023 0.000 2.364 60 E HA 0.169 4.512 4.350 -0.011 0.000 0.203 60 E C -0.082 176.530 176.600 0.021 0.000 0.888 60 E CA -0.042 56.370 56.400 0.020 0.000 0.989 60 E CB 1.079 30.806 29.700 0.046 0.000 0.985 60 E HN 0.121 8.481 8.360 -0.000 0.000 0.499 61 A N 1.126 123.890 122.820 -0.094 0.000 2.587 61 A HA 0.634 4.947 4.320 -0.011 0.000 0.293 61 A C -1.580 175.882 177.584 -0.203 0.000 1.087 61 A CA -0.774 51.118 52.037 -0.241 0.000 0.692 61 A CB 1.283 19.965 19.000 -0.529 0.000 1.291 61 A HN 0.051 8.201 8.150 -0.000 0.000 0.407 62 N N -0.696 117.876 118.700 -0.214 0.000 2.258 62 N HA 0.618 5.351 4.740 -0.011 0.000 0.299 62 N C -1.417 173.817 175.510 -0.460 0.000 1.047 62 N CA -0.526 52.322 53.050 -0.337 0.000 0.814 62 N CB 2.481 40.846 38.487 -0.202 0.000 1.413 62 N HN 0.378 8.758 8.380 -0.000 0.000 0.478 63 V N 2.352 121.856 119.914 -0.682 0.000 2.540 63 V HA 0.585 4.699 4.120 -0.011 0.000 0.302 63 V C -1.062 174.619 176.094 -0.690 0.000 1.035 63 V CA -0.593 61.434 62.300 -0.454 0.000 0.873 63 V CB 0.579 32.273 31.823 -0.216 0.000 0.992 63 V HN 0.539 8.729 8.190 -0.000 0.000 0.428 64 F N 2.623 122.568 119.950 -0.008 0.000 2.593 64 F HA 0.559 5.081 4.527 -0.008 0.000 0.320 64 F C -0.421 175.446 175.800 0.111 0.000 1.060 64 F CA -0.973 57.049 58.000 0.035 0.000 0.940 64 F CB 1.581 40.575 39.000 -0.010 0.000 1.268 64 F HN 0.489 8.789 8.300 -0.000 0.000 0.475 65 Y N 1.597 122.030 120.300 0.222 0.000 2.299 65 Y HA 0.695 5.239 4.550 -0.009 0.000 0.326 65 Y C -0.598 175.351 175.900 0.081 0.000 1.164 65 Y CA -0.703 57.426 58.100 0.047 0.000 1.234 65 Y CB 0.802 39.184 38.460 -0.131 0.000 1.219 65 Y HN 0.716 8.996 8.280 -0.000 0.000 0.497 66 A N 5.102 127.390 122.820 -0.885 0.000 2.515 66 A HA 0.440 4.753 4.320 -0.011 0.000 0.298 66 A C -1.578 175.605 177.584 -0.669 0.000 1.059 66 A CA -0.983 50.761 52.037 -0.489 0.000 0.698 66 A CB 1.132 20.044 19.000 -0.146 0.000 1.289 66 A HN 0.760 8.910 8.150 -0.000 0.000 0.404 67 D N 0.443 120.729 120.400 -0.191 0.000 2.225 67 D HA 0.583 5.216 4.640 -0.011 0.000 0.249 67 D C 0.362 176.638 176.300 -0.039 0.000 1.052 67 D CA 0.581 54.536 54.000 -0.075 0.000 0.909 67 D CB 2.038 42.876 40.800 0.063 0.000 1.186 67 D HN 0.846 9.216 8.370 -0.000 0.000 0.431 68 G N -0.382 108.407 108.800 -0.018 0.000 2.731 68 G HA2 0.512 4.465 3.960 -0.011 0.000 0.309 68 G HA3 0.512 4.465 3.960 -0.011 0.000 0.309 68 G C -1.629 173.274 174.900 0.005 0.000 1.273 68 G CA -0.372 44.736 45.100 0.013 0.000 0.798 68 G HN 0.350 8.640 8.290 -0.000 0.000 0.509 69 V N 0.202 120.124 119.914 0.014 0.000 2.686 69 V HA 0.726 4.839 4.120 -0.011 0.000 0.306 69 V C -1.616 174.488 176.094 0.018 0.000 1.065 69 V CA -0.516 61.770 62.300 -0.022 0.000 0.894 69 V CB 1.669 33.450 31.823 -0.069 0.000 1.004 69 V HN 0.773 8.963 8.190 -0.000 0.000 0.424 70 F N 3.663 123.489 119.950 -0.207 0.000 2.573 70 F HA 0.580 5.100 4.527 -0.012 0.000 0.316 70 F C 0.168 175.888 175.800 -0.134 0.000 1.148 70 F CA -0.495 57.372 58.000 -0.221 0.000 0.940 70 F CB 1.692 40.341 39.000 -0.585 0.000 1.214 70 F HN 0.705 9.005 8.300 -0.000 0.000 0.448 71 D N 4.378 124.204 120.400 -0.957 0.000 2.751 71 D HA -0.145 4.489 4.640 -0.011 0.000 0.233 71 D C 0.952 177.067 176.300 -0.308 0.000 1.149 71 D CA 2.206 55.786 54.000 -0.700 0.000 0.682 71 D CB -1.071 39.263 40.800 -0.776 0.000 1.068 71 D HN 1.589 9.959 8.370 -0.000 0.000 0.429 72 G N -0.355 108.298 108.800 -0.245 0.000 2.157 72 G HA2 -0.315 3.639 3.960 -0.011 0.000 0.248 72 G HA3 -0.315 3.639 3.960 -0.011 0.000 0.248 72 G C 0.156 174.998 174.900 -0.096 0.000 0.979 72 G CA 0.809 45.819 45.100 -0.150 0.000 0.650 72 G HN 0.920 9.210 8.290 -0.000 0.000 0.529 73 K N -0.453 119.899 120.400 -0.080 0.000 2.477 73 K HA 0.775 5.088 4.320 -0.011 0.000 0.255 73 K C -3.199 173.390 176.600 -0.018 0.000 0.952 73 K CA -2.395 53.872 56.287 -0.033 0.000 0.826 73 K CB 3.016 35.513 32.500 -0.005 0.000 1.331 73 K HN -0.005 8.245 8.250 -0.000 0.000 0.437 74 P HA 0.058 4.478 4.420 -0.000 0.000 0.275 74 P C -0.534 176.782 177.300 0.027 0.000 1.227 74 P CA -0.450 62.654 63.100 0.007 0.000 0.781 74 P CB 1.082 32.791 31.700 0.014 0.000 0.906 75 V N -1.283 118.644 119.914 0.021 0.000 3.078 75 V HA 0.906 5.020 4.120 -0.011 0.000 0.311 75 V C -0.286 175.847 176.094 0.064 0.000 1.138 75 V CA -1.358 60.974 62.300 0.053 0.000 1.007 75 V CB 1.334 33.145 31.823 -0.020 0.000 1.045 75 V HN 0.705 8.895 8.190 -0.000 0.000 0.432 79 V N 3.009 123.000 119.914 0.129 0.000 2.293 79 V HA 0.413 4.527 4.120 -0.011 0.000 0.275 79 V C 0.280 176.464 176.094 0.150 0.000 1.021 79 V CA -0.358 62.029 62.300 0.145 0.000 0.815 79 V CB 1.101 33.036 31.823 0.185 0.000 1.025 79 V HN 0.824 9.014 8.190 -0.000 0.000 0.448 80 K N 5.605 126.048 120.400 0.072 0.000 2.183 80 K HA 0.694 5.008 4.320 -0.011 0.000 0.274 80 K C -1.061 175.536 176.600 -0.005 0.000 1.009 80 K CA -0.461 55.816 56.287 -0.016 0.000 0.888 80 K CB 0.973 33.425 32.500 -0.081 0.000 1.078 80 K HN 0.632 8.882 8.250 -0.000 0.000 0.459 81 I N 4.912 125.454 120.570 -0.047 0.000 2.478 81 I HA 0.202 4.366 4.170 -0.011 0.000 0.287 81 I C -1.014 175.060 176.117 -0.071 0.000 1.042 81 I CA -1.059 60.263 61.300 0.037 0.000 1.067 81 I CB 1.244 39.344 38.000 0.166 0.000 1.233 81 I HN 0.567 8.777 8.210 -0.000 0.000 0.431 82 Y N 5.049 125.427 120.300 0.130 0.000 2.335 82 Y HA 0.306 4.848 4.550 -0.012 0.000 0.331 82 Y C 0.866 176.821 175.900 0.092 0.000 1.094 82 Y CA -0.191 57.975 58.100 0.109 0.000 1.253 82 Y CB 0.634 39.183 38.460 0.148 0.000 1.203 82 Y HN 0.372 8.652 8.280 -0.000 0.000 0.508 83 R N 3.502 124.113 120.500 0.185 0.000 2.537 83 R HA 0.256 4.590 4.340 -0.011 0.000 0.280 83 R C -0.390 175.974 176.300 0.108 0.000 1.058 83 R CA 0.061 56.230 56.100 0.115 0.000 1.057 83 R CB 0.390 30.726 30.300 0.061 0.000 0.973 83 R HN 0.645 8.915 8.270 -0.000 0.000 0.438 94 E N 0.266 120.519 120.200 0.088 0.000 2.097 94 E HA -0.165 4.178 4.350 -0.011 0.000 0.196 94 E C 1.159 177.771 176.600 0.020 0.000 1.000 94 E CA 1.399 57.761 56.400 -0.064 0.000 0.804 94 E CB -0.275 29.176 29.700 -0.415 0.000 0.740 94 E HN 0.484 8.844 8.360 -0.000 0.000 0.454 95 Y N -1.185 119.322 120.300 0.344 0.000 2.500 95 Y HA 0.166 4.709 4.550 -0.011 0.000 0.270 95 Y C 1.613 177.674 175.900 0.268 0.000 1.134 95 Y CA 0.048 58.302 58.100 0.257 0.000 1.293 95 Y CB 0.219 38.801 38.460 0.203 0.000 1.063 95 Y HN 0.028 8.308 8.280 -0.000 0.000 0.534 96 L N -1.813 119.671 121.223 0.435 0.000 2.347 96 L HA 0.199 4.533 4.340 -0.011 0.000 0.196 96 L C -0.215 176.716 176.870 0.101 0.000 1.072 96 L CA 0.475 55.442 54.840 0.212 0.000 0.817 96 L CB -0.435 41.723 42.059 0.165 0.000 1.029 96 L HN -0.021 8.209 8.230 -0.000 0.000 0.478 97 Y N 0.004 120.419 120.300 0.191 0.000 2.436 97 Y HA 0.464 5.008 4.550 -0.010 0.000 0.343 97 Y C 1.347 177.300 175.900 0.088 0.000 1.008 97 Y CA 0.561 58.733 58.100 0.119 0.000 1.241 97 Y CB 0.547 39.049 38.460 0.070 0.000 1.153 97 Y HN 0.300 8.580 8.280 -0.000 0.000 0.521 98 G N 2.020 110.882 108.800 0.104 0.000 2.316 98 G HA2 -0.242 3.712 3.960 -0.011 0.000 0.203 98 G HA3 -0.242 3.712 3.960 -0.011 0.000 0.203 98 G C -0.301 174.566 174.900 -0.054 0.000 0.999 98 G CA -0.308 44.678 45.100 -0.190 0.000 0.649 98 G HN 0.548 8.838 8.290 -0.000 0.000 0.489 99 D N 1.763 122.283 120.400 0.201 0.000 2.456 99 D HA 0.548 5.182 4.640 -0.011 0.000 0.219 99 D C 1.346 177.732 176.300 0.145 0.000 1.126 99 D CA 0.681 54.824 54.000 0.239 0.000 0.890 99 D CB 0.866 41.866 40.800 0.333 0.000 1.025 99 D HN 0.515 8.885 8.370 -0.000 0.000 0.511 100 E N 3.626 123.862 120.200 0.060 0.000 2.478 100 E HA -0.113 4.230 4.350 -0.011 0.000 0.198 100 E C 1.799 178.367 176.600 -0.053 0.000 1.046 100 E CA 0.471 56.878 56.400 0.011 0.000 0.870 100 E CB -0.399 29.297 29.700 -0.006 0.000 0.818 100 E HN 0.505 8.865 8.360 -0.000 0.000 0.527 101 R N -1.395 119.034 120.500 -0.120 0.000 2.127 101 R HA 0.010 4.343 4.340 -0.011 0.000 0.238 101 R C 0.028 175.984 176.300 -0.572 0.000 1.134 101 R CA 1.027 56.890 56.100 -0.395 0.000 0.975 101 R CB -0.201 29.736 30.300 -0.604 0.000 0.865 101 R HN 0.454 8.724 8.270 -0.000 0.000 0.447 111 E N 1.840 121.930 120.200 -0.183 0.000 2.479 111 E HA 0.133 4.477 4.350 -0.011 0.000 0.193 111 E C 1.424 177.933 176.600 -0.152 0.000 1.049 111 E CA 0.108 56.358 56.400 -0.250 0.000 0.870 111 E CB 0.604 30.250 29.700 -0.089 0.000 0.944 111 E HN 0.379 8.739 8.360 -0.000 0.000 0.492 112 K N 0.839 121.173 120.400 -0.109 0.000 2.113 112 K HA -0.131 4.182 4.320 -0.011 0.000 0.208 112 K C 1.852 178.427 176.600 -0.042 0.000 1.047 112 K CA 1.088 57.342 56.287 -0.056 0.000 0.928 112 K CB 0.162 32.637 32.500 -0.042 0.000 0.716 112 K HN -0.060 8.190 8.250 -0.000 0.000 0.446 113 V N 1.037 120.891 119.914 -0.099 0.000 2.427 113 V HA -0.219 3.895 4.120 -0.011 0.000 0.248 113 V C 2.099 178.318 176.094 0.209 0.000 1.051 113 V CA 1.450 63.744 62.300 -0.010 0.000 1.048 113 V CB -0.547 31.276 31.823 -0.000 0.000 0.666 113 V HN 0.227 8.417 8.190 -0.000 0.000 0.456 114 F N -0.616 119.350 119.950 0.027 0.000 2.146 114 F HA -0.098 4.424 4.527 -0.008 0.000 0.298 114 F C 2.320 178.120 175.800 0.001 0.000 1.096 114 F CA 0.612 58.641 58.000 0.048 0.000 1.275 114 F CB -1.076 37.964 39.000 0.066 0.000 1.008 114 F HN 0.100 8.400 8.300 -0.000 0.000 0.480 115 I N -0.839 119.819 120.570 0.146 0.000 2.163 115 I HA -0.346 3.818 4.170 -0.011 0.000 0.243 115 I C 2.501 178.462 176.117 -0.260 0.000 1.085 115 I CA 1.136 62.395 61.300 -0.067 0.000 1.347 115 I CB -1.403 36.540 38.000 -0.095 0.000 1.044 115 I HN 0.370 8.580 8.210 -0.000 0.000 0.408 116 W N 2.130 123.216 121.300 -0.357 0.000 2.338 116 W HA -0.272 4.381 4.660 -0.012 0.000 0.304 116 W C 2.423 178.659 176.519 -0.472 0.000 1.212 116 W CA 2.316 59.382 57.345 -0.466 0.000 1.264 116 W CB -0.387 28.772 29.460 -0.501 0.000 1.142 116 W HN 0.160 8.340 8.180 -0.000 0.000 0.512 117 T N 0.235 114.693 114.554 -0.160 0.000 2.708 117 T HA -0.299 4.045 4.350 -0.011 0.000 0.266 117 T C 1.595 176.143 174.700 -0.253 0.000 1.037 117 T CA 1.975 64.023 62.100 -0.086 0.000 1.146 117 T CB -0.524 68.444 68.868 0.167 0.000 0.865 117 T HN 0.345 8.585 8.240 -0.000 0.000 0.435 118 E N 1.010 120.996 120.200 -0.358 0.000 2.106 118 E HA -0.178 4.166 4.350 -0.011 0.000 0.192 118 E C 2.229 178.630 176.600 -0.331 0.000 0.984 118 E CA 1.058 57.096 56.400 -0.604 0.000 0.806 118 E CB -0.067 29.439 29.700 -0.323 0.000 0.750 118 E HN 0.415 8.775 8.360 -0.000 0.000 0.458 119 K N 0.841 120.958 120.400 -0.473 0.000 2.032 119 K HA -0.242 4.072 4.320 -0.011 0.000 0.209 119 K C 2.158 178.546 176.600 -0.353 0.000 1.048 119 K CA 1.828 57.820 56.287 -0.492 0.000 0.927 119 K CB -0.085 31.808 32.500 -1.011 0.000 0.712 119 K HN 0.117 8.367 8.250 -0.000 0.000 0.441 120 E N -0.521 119.424 120.200 -0.425 0.000 2.077 120 E HA -0.216 4.128 4.350 -0.011 0.000 0.193 120 E C 1.829 178.338 176.600 -0.151 0.000 0.989 120 E CA 1.202 57.433 56.400 -0.281 0.000 0.800 120 E CB -0.192 29.419 29.700 -0.149 0.000 0.746 120 E HN 0.372 8.732 8.360 -0.000 0.000 0.452 121 F N 1.307 121.100 119.950 -0.262 0.000 2.102 121 F HA -0.118 4.405 4.527 -0.007 0.000 0.298 121 F C 2.324 178.034 175.800 -0.150 0.000 1.105 121 F CA 1.645 59.516 58.000 -0.215 0.000 1.239 121 F CB -0.049 38.733 39.000 -0.364 0.000 0.991 121 F HN -0.122 8.178 8.300 -0.000 0.000 0.474 122 R N 0.161 120.637 120.500 -0.039 0.000 2.105 122 R HA -0.177 4.156 4.340 -0.011 0.000 0.239 122 R C 1.982 178.207 176.300 -0.124 0.000 1.135 122 R CA 1.509 57.583 56.100 -0.044 0.000 0.967 122 R CB -0.509 29.850 30.300 0.099 0.000 0.861 122 R HN 0.319 8.589 8.270 -0.000 0.000 0.442 123 N N 0.301 118.920 118.700 -0.135 0.000 2.106 123 N HA -0.123 4.611 4.740 -0.011 0.000 0.188 123 N C 1.608 177.020 175.510 -0.163 0.000 1.029 123 N CA 0.964 53.929 53.050 -0.142 0.000 0.848 123 N CB -0.207 38.175 38.487 -0.175 0.000 1.007 123 N HN 0.039 8.419 8.380 -0.000 0.000 0.423 124 L N 2.234 123.326 121.223 -0.217 0.000 2.012 124 L HA -0.128 4.205 4.340 -0.011 0.000 0.210 124 L C 2.231 178.941 176.870 -0.267 0.000 1.073 124 L CA 1.561 56.260 54.840 -0.235 0.000 0.748 124 L CB -1.208 40.669 42.059 -0.302 0.000 0.891 124 L HN 0.189 8.419 8.230 -0.000 0.000 0.431 125 E N -0.799 119.177 120.200 -0.373 0.000 2.085 125 E HA -0.244 4.099 4.350 -0.011 0.000 0.194 125 E C 2.349 178.855 176.600 -0.156 0.000 0.994 125 E CA 0.941 57.167 56.400 -0.289 0.000 0.801 125 E CB -0.196 29.319 29.700 -0.308 0.000 0.743 125 E HN 0.407 8.767 8.360 -0.000 0.000 0.453 126 R N 0.358 120.778 120.500 -0.132 0.000 2.066 126 R HA -0.069 4.265 4.340 -0.011 0.000 0.232 126 R C 2.286 178.541 176.300 -0.075 0.000 1.131 126 R CA 1.192 57.240 56.100 -0.085 0.000 0.955 126 R CB -0.158 30.099 30.300 -0.072 0.000 0.851 126 R HN 0.117 8.387 8.270 -0.000 0.000 0.432 127 A N 1.204 123.976 122.820 -0.079 0.000 1.883 127 A HA -0.223 4.090 4.320 -0.011 0.000 0.217 127 A C 2.064 179.601 177.584 -0.078 0.000 1.186 127 A CA 1.814 53.814 52.037 -0.062 0.000 0.624 127 A CB -0.410 18.566 19.000 -0.041 0.000 0.822 127 A HN 0.219 8.369 8.150 -0.000 0.000 0.444 128 K N -0.010 120.334 120.400 -0.094 0.000 2.057 128 K HA -0.145 4.169 4.320 -0.011 0.000 0.207 128 K C 2.063 178.623 176.600 -0.067 0.000 1.049 128 K CA 1.693 57.928 56.287 -0.088 0.000 0.931 128 K CB -0.232 32.208 32.500 -0.100 0.000 0.714 128 K HN 0.450 8.700 8.250 -0.000 0.000 0.440 129 E N 0.162 120.326 120.200 -0.061 0.000 2.118 129 E HA -0.143 4.200 4.350 -0.011 0.000 0.195 129 E C 1.259 177.834 176.600 -0.042 0.000 0.992 129 E CA 1.364 57.739 56.400 -0.042 0.000 0.804 129 E CB -0.154 29.523 29.700 -0.037 0.000 0.741 129 E HN 0.346 8.706 8.360 -0.000 0.000 0.458 130 A N -0.337 122.454 122.820 -0.049 0.000 2.235 130 A HA 0.227 4.540 4.320 -0.011 0.000 0.208 130 A C 1.559 179.111 177.584 -0.055 0.000 1.172 130 A CA 1.144 53.154 52.037 -0.045 0.000 0.786 130 A CB -0.440 18.536 19.000 -0.041 0.000 0.804 130 A HN 0.386 8.536 8.150 -0.000 0.000 0.479 131 G N -1.508 107.253 108.800 -0.066 0.000 2.143 131 G HA2 -0.202 3.752 3.960 -0.011 0.000 0.249 131 G HA3 -0.202 3.752 3.960 -0.011 0.000 0.249 131 G C 0.168 174.995 174.900 -0.121 0.000 0.981 131 G CA 0.113 45.164 45.100 -0.082 0.000 0.665 131 G HN 0.778 9.068 8.290 -0.000 0.000 0.528 132 V N 0.780 120.616 119.914 -0.130 0.000 2.686 132 V HA 0.527 4.641 4.120 -0.011 0.000 0.295 132 V C 1.271 177.224 176.094 -0.234 0.000 1.055 132 V CA 0.569 62.745 62.300 -0.205 0.000 1.050 132 V CB 1.748 33.472 31.823 -0.165 0.000 0.984 132 V HN 0.490 8.680 8.190 -0.000 0.000 0.482 133 S N 4.264 119.752 115.700 -0.354 0.000 2.494 133 S HA 0.428 4.892 4.470 -0.011 0.000 0.312 133 S C -0.417 174.049 174.600 -0.224 0.000 1.121 133 S CA -0.557 57.435 58.200 -0.346 0.000 1.068 133 S CB -0.438 62.437 63.200 -0.542 0.000 1.141 133 S HN 0.799 9.109 8.310 -0.000 0.000 0.527 134 V N 3.168 123.044 119.914 -0.063 0.000 3.074 134 V HA 0.779 4.893 4.120 -0.011 0.000 0.314 134 V C -2.918 173.217 176.094 0.069 0.000 1.117 134 V CA -2.989 59.338 62.300 0.045 0.000 1.014 134 V CB 1.020 32.836 31.823 -0.011 0.000 1.057 134 V HN 0.443 8.633 8.190 -0.000 0.000 0.438 135 P HA 0.185 4.605 4.420 -0.000 0.000 0.268 135 P C -0.667 176.517 177.300 -0.193 0.000 1.204 135 P CA 0.182 63.219 63.100 -0.106 0.000 0.768 135 P CB 0.252 31.845 31.700 -0.178 0.000 0.842 136 Q N 5.669 125.333 119.800 -0.227 0.000 2.262 136 Q HA 0.033 4.367 4.340 -0.011 0.000 0.298 136 Q C -2.120 173.515 176.000 -0.609 0.000 1.083 136 Q CA -0.808 54.803 55.803 -0.320 0.000 0.962 136 Q CB -0.429 28.172 28.738 -0.227 0.000 1.104 136 Q HN 0.286 8.556 8.270 -0.000 0.000 0.376 137 P HA 0.037 4.457 4.420 -0.000 0.000 0.280 137 P C -0.829 176.286 177.300 -0.308 0.000 1.244 137 P CA 0.018 62.855 63.100 -0.440 0.000 0.784 137 P CB 0.700 32.038 31.700 -0.603 0.000 0.913 138 Y N 0.507 120.766 120.300 -0.070 0.000 2.333 138 Y HA 0.274 4.818 4.550 -0.010 0.000 0.287 138 Y C 1.640 177.662 175.900 0.204 0.000 1.149 138 Y CA 0.577 58.495 58.100 -0.302 0.000 1.193 138 Y CB -0.343 37.866 38.460 -0.420 0.000 1.175 138 Y HN 0.312 8.592 8.280 -0.000 0.000 0.518 139 T N -1.387 113.325 114.554 0.263 0.000 2.739 139 T HA 0.533 4.877 4.350 -0.011 0.000 0.303 139 T C -1.979 172.526 174.700 -0.325 0.000 1.389 139 T CA -0.494 61.499 62.100 -0.178 0.000 1.001 139 T CB 1.014 69.547 68.868 -0.559 0.000 1.436 139 T HN 0.172 8.412 8.240 -0.000 0.000 0.500 143 N N 1.533 120.158 118.700 -0.125 0.000 2.270 143 N HA 0.081 4.815 4.740 -0.011 0.000 0.198 143 N C -0.222 175.427 175.510 0.231 0.000 1.117 143 N CA 0.071 53.269 53.050 0.248 0.000 0.845 143 N CB 0.536 39.269 38.487 0.411 0.000 0.980 143 N HN 0.024 8.404 8.380 -0.000 0.000 0.486 144 V N 1.881 121.862 119.914 0.113 0.000 2.398 144 V HA 0.394 4.508 4.120 -0.011 0.000 0.286 144 V C -0.493 175.666 176.094 0.109 0.000 1.026 144 V CA -0.984 61.372 62.300 0.094 0.000 0.868 144 V CB 1.421 33.257 31.823 0.020 0.000 0.982 144 V HN 0.199 8.389 8.190 -0.000 0.000 0.443 145 L N 6.967 128.267 121.223 0.130 0.000 2.346 145 L HA 0.739 5.072 4.340 -0.011 0.000 0.276 145 L C -0.785 176.145 176.870 0.101 0.000 1.006 145 L CA 0.128 55.056 54.840 0.146 0.000 0.817 145 L CB 1.438 43.619 42.059 0.202 0.000 1.272 145 L HN 0.530 8.760 8.230 -0.000 0.000 0.421 149 F N 5.997 125.932 119.950 -0.024 0.000 2.506 149 F HA 0.304 4.824 4.527 -0.011 0.000 0.371 149 F C -0.363 175.396 175.800 -0.069 0.000 1.078 149 F CA -0.293 57.696 58.000 -0.019 0.000 1.195 149 F CB 0.391 39.435 39.000 0.073 0.000 1.099 149 F HN 0.304 8.604 8.300 -0.000 0.000 0.548 150 I N 6.817 126.898 120.570 -0.815 0.000 2.306 150 I HA 0.585 4.749 4.170 -0.011 0.000 0.288 150 I C 0.500 176.050 176.117 -0.945 0.000 1.036 150 I CA -0.240 60.585 61.300 -0.792 0.000 1.221 150 I CB -0.171 37.334 38.000 -0.825 0.000 1.385 150 I HN 0.768 8.978 8.210 -0.000 0.000 0.472 151 G N 6.374 114.828 108.800 -0.576 0.000 2.356 151 G HA2 0.345 4.299 3.960 -0.011 0.000 0.288 151 G HA3 0.345 4.299 3.960 -0.011 0.000 0.288 151 G C -1.710 173.245 174.900 0.092 0.000 1.302 151 G CA -0.765 44.172 45.100 -0.272 0.000 0.887 151 G HN 0.476 8.766 8.290 -0.000 0.000 0.521 152 E N -0.029 120.291 120.200 0.201 0.000 2.367 152 E HA 0.584 4.927 4.350 -0.011 0.000 0.273 152 E C -1.090 175.620 176.600 0.183 0.000 0.903 152 E CA -0.844 55.688 56.400 0.221 0.000 0.764 152 E CB 1.813 31.581 29.700 0.112 0.000 1.252 152 E HN 0.433 8.793 8.360 -0.000 0.000 0.446 153 D N 2.205 122.673 120.400 0.113 0.000 2.740 153 D HA -0.240 4.394 4.640 -0.011 0.000 0.231 153 D C -0.463 175.766 176.300 -0.118 0.000 1.194 153 D CA 1.573 55.567 54.000 -0.010 0.000 0.673 153 D CB -0.852 39.946 40.800 -0.003 0.000 0.995 153 D HN 0.855 9.225 8.370 -0.000 0.000 0.411 154 E N -3.197 116.839 120.200 -0.273 0.000 3.673 154 E HA -0.282 4.062 4.350 -0.011 0.000 0.309 154 E C 0.383 176.925 176.600 -0.096 0.000 0.819 154 E CA 0.554 56.529 56.400 -0.709 0.000 1.111 154 E CB -0.927 28.140 29.700 -1.055 0.000 1.561 154 E HN 0.317 8.677 8.360 -0.000 0.000 0.450 155 L N 1.568 122.889 121.223 0.163 0.000 2.259 155 L HA 0.343 4.677 4.340 -0.011 0.000 0.288 155 L C -2.455 174.591 176.870 0.295 0.000 1.051 155 L CA -1.961 53.002 54.840 0.205 0.000 0.824 155 L CB 0.665 42.778 42.059 0.091 0.000 1.206 155 L HN -0.291 7.939 8.230 -0.000 0.000 0.429 156 P HA 0.155 4.575 4.420 -0.000 0.000 0.268 156 P C -0.699 176.536 177.300 -0.108 0.000 1.204 156 P CA -0.203 62.856 63.100 -0.068 0.000 0.768 156 P CB 0.630 32.347 31.700 0.028 0.000 0.842 157 A N 6.145 128.829 122.820 -0.227 0.000 2.520 157 A HA 0.303 4.617 4.320 -0.011 0.000 0.235 157 A C -1.751 175.790 177.584 -0.073 0.000 1.065 157 A CA -0.732 51.224 52.037 -0.136 0.000 0.764 157 A CB -1.220 17.663 19.000 -0.194 0.000 1.002 157 A HN 0.447 8.597 8.150 -0.000 0.000 0.502 158 P HA 0.214 4.634 4.420 -0.000 0.000 0.274 158 P C 0.208 177.510 177.300 0.004 0.000 1.231 158 P CA -0.056 63.046 63.100 0.002 0.000 0.790 158 P CB 0.506 32.224 31.700 0.030 0.000 0.951 159 T N -0.758 113.777 114.554 -0.032 0.000 2.828 159 T HA 0.184 4.528 4.350 -0.011 0.000 0.290 159 T C 1.704 176.350 174.700 -0.091 0.000 1.019 159 T CA -0.673 61.390 62.100 -0.063 0.000 1.031 159 T CB 0.101 68.904 68.868 -0.107 0.000 1.001 159 T HN 0.237 8.477 8.240 -0.000 0.000 0.531 160 L N 1.170 122.297 121.223 -0.160 0.000 2.127 160 L HA -0.061 4.273 4.340 -0.011 0.000 0.211 160 L C 2.875 179.609 176.870 -0.227 0.000 1.089 160 L CA 0.812 55.527 54.840 -0.207 0.000 0.757 160 L CB -0.777 41.059 42.059 -0.372 0.000 0.899 160 L HN 0.642 8.872 8.230 -0.000 0.000 0.434 161 V N 0.082 119.773 119.914 -0.371 0.000 2.427 161 V HA -0.247 3.866 4.120 -0.011 0.000 0.248 161 V C 2.252 178.263 176.094 -0.139 0.000 1.051 161 V CA 1.918 64.023 62.300 -0.324 0.000 1.048 161 V CB -0.080 31.312 31.823 -0.718 0.000 0.666 161 V HN 0.501 8.691 8.190 -0.000 0.000 0.456 162 E N -0.226 119.905 120.200 -0.115 0.000 2.152 162 E HA -0.115 4.229 4.350 -0.011 0.000 0.192 162 E C 2.209 178.797 176.600 -0.019 0.000 0.983 162 E CA 1.151 57.522 56.400 -0.048 0.000 0.818 162 E CB -0.139 29.540 29.700 -0.034 0.000 0.758 162 E HN 0.554 8.914 8.360 -0.000 0.000 0.467 163 L N 0.410 121.618 121.223 -0.024 0.000 2.012 163 L HA -0.183 4.151 4.340 -0.011 0.000 0.210 163 L C 1.964 178.829 176.870 -0.008 0.000 1.073 163 L CA 1.210 56.042 54.840 -0.014 0.000 0.748 163 L CB -1.110 40.924 42.059 -0.041 0.000 0.891 163 L HN 0.344 8.574 8.230 -0.000 0.000 0.431 164 G N -0.202 108.599 108.800 0.002 0.000 2.692 164 G HA2 -0.484 3.470 3.960 -0.011 0.000 0.339 164 G HA3 -0.484 3.470 3.960 -0.011 0.000 0.339 164 G C 0.984 175.941 174.900 0.096 0.000 1.226 164 G CA 1.128 46.275 45.100 0.079 0.000 0.979 164 G HN 0.219 8.509 8.290 -0.000 0.000 0.549 165 R N 0.700 121.262 120.500 0.104 0.000 2.127 165 R HA 0.069 4.402 4.340 -0.011 0.000 0.238 165 R C 2.556 178.892 176.300 0.059 0.000 1.134 165 R CA 1.616 57.776 56.100 0.100 0.000 0.975 165 R CB -0.513 29.826 30.300 0.064 0.000 0.865 165 R HN 0.655 8.925 8.270 -0.000 0.000 0.447 166 E N 0.044 120.260 120.200 0.026 0.000 2.401 166 E HA -0.150 4.194 4.350 -0.011 0.000 0.199 166 E C 1.522 178.104 176.600 -0.030 0.000 1.023 166 E CA 0.589 56.993 56.400 0.007 0.000 0.859 166 E CB -0.010 29.695 29.700 0.009 0.000 0.780 166 E HN 0.216 8.576 8.360 -0.000 0.000 0.523 167 L N 0.654 121.826 121.223 -0.086 0.000 2.131 167 L HA -0.174 4.160 4.340 -0.011 0.000 0.210 167 L C 2.174 179.003 176.870 -0.069 0.000 1.092 167 L CA 1.389 56.121 54.840 -0.180 0.000 0.759 167 L CB -0.108 41.652 42.059 -0.500 0.000 0.903 167 L HN -0.077 8.153 8.230 -0.000 0.000 0.435 168 K N -0.633 119.777 120.400 0.016 0.000 2.439 168 K HA -0.063 4.251 4.320 -0.011 0.000 0.197 168 K C 1.144 177.757 176.600 0.022 0.000 1.041 168 K CA 0.418 56.732 56.287 0.045 0.000 0.970 168 K CB 0.107 32.651 32.500 0.072 0.000 0.773 168 K HN 0.185 8.435 8.250 -0.000 0.000 0.479 169 E N 0.502 120.709 120.200 0.011 0.000 2.465 169 E HA 0.135 4.479 4.350 -0.011 0.000 0.191 169 E C 0.245 176.852 176.600 0.011 0.000 1.053 169 E CA 0.236 56.645 56.400 0.015 0.000 0.869 169 E CB 0.231 29.943 29.700 0.021 0.000 0.977 169 E HN 0.243 8.603 8.360 -0.000 0.000 0.483 170 L N -0.119 121.097 121.223 -0.011 0.000 2.279 170 L HA 0.334 4.667 4.340 -0.011 0.000 0.262 170 L C 0.275 177.133 176.870 -0.019 0.000 1.019 170 L CA -1.079 53.746 54.840 -0.025 0.000 0.823 170 L CB 1.238 43.230 42.059 -0.111 0.000 1.358 170 L HN -0.278 7.952 8.230 -0.000 0.000 0.432 171 D N 0.785 121.178 120.400 -0.011 0.000 2.508 171 D HA 0.030 4.664 4.640 -0.011 0.000 0.224 171 D C 0.743 177.042 176.300 -0.001 0.000 1.171 171 D CA 0.188 54.192 54.000 0.006 0.000 1.006 171 D CB 0.915 41.730 40.800 0.025 0.000 1.073 171 D HN 0.305 8.675 8.370 -0.000 0.000 0.513 172 V N 3.338 123.260 119.914 0.014 0.000 2.626 172 V HA -0.135 3.979 4.120 -0.011 0.000 0.252 172 V C 1.824 177.980 176.094 0.105 0.000 1.067 172 V CA 1.964 64.305 62.300 0.068 0.000 1.081 172 V CB -0.136 31.734 31.823 0.078 0.000 0.686 172 V HN 0.563 8.753 8.190 -0.000 0.000 0.468 173 E N -0.204 120.031 120.200 0.058 0.000 2.107 173 E HA -0.077 4.267 4.350 -0.011 0.000 0.191 173 E C 2.121 178.758 176.600 0.063 0.000 0.982 173 E CA 1.104 57.535 56.400 0.051 0.000 0.809 173 E CB -0.426 29.290 29.700 0.026 0.000 0.756 173 E HN 0.652 9.012 8.360 -0.000 0.000 0.459 174 G N 1.508 110.329 108.800 0.035 0.000 2.402 174 G HA2 -0.211 3.742 3.960 -0.011 0.000 0.216 174 G HA3 -0.211 3.742 3.960 -0.011 0.000 0.216 174 G C 1.606 176.509 174.900 0.005 0.000 1.162 174 G CA 0.723 45.836 45.100 0.022 0.000 0.777 174 G HN 0.228 8.518 8.290 -0.000 0.000 0.539 175 I N -0.243 120.331 120.570 0.007 0.000 2.179 175 I HA -0.124 4.039 4.170 -0.011 0.000 0.242 175 I C 2.426 178.473 176.117 -0.117 0.000 1.088 175 I CA 1.040 62.346 61.300 0.009 0.000 1.357 175 I CB -0.331 37.679 38.000 0.017 0.000 1.051 175 I HN 0.184 8.394 8.210 -0.000 0.000 0.409 176 F N 2.328 121.964 119.950 -0.524 0.000 2.065 176 F HA -0.309 4.212 4.527 -0.010 0.000 0.298 176 F C 2.171 177.734 175.800 -0.394 0.000 1.112 176 F CA 2.224 59.668 58.000 -0.926 0.000 1.212 176 F CB -0.743 37.673 39.000 -0.972 0.000 0.975 176 F HN 0.088 8.388 8.300 -0.000 0.000 0.476 177 N N -0.245 118.295 118.700 -0.267 0.000 2.104 177 N HA -0.256 4.478 4.740 -0.011 0.000 0.190 177 N C 1.565 176.924 175.510 -0.251 0.000 1.024 177 N CA 1.229 54.124 53.050 -0.258 0.000 0.853 177 N CB -0.370 38.077 38.487 -0.066 0.000 1.008 177 N HN 0.338 8.718 8.380 -0.000 0.000 0.424 178 D N 0.658 120.957 120.400 -0.169 0.000 2.097 178 D HA -0.101 4.533 4.640 -0.011 0.000 0.195 178 D C 1.915 178.139 176.300 -0.128 0.000 0.989 178 D CA 0.691 54.621 54.000 -0.117 0.000 0.827 178 D CB -0.170 40.611 40.800 -0.031 0.000 0.966 178 D HN -0.029 8.341 8.370 -0.000 0.000 0.456 179 V N 0.185 120.031 119.914 -0.115 0.000 2.255 179 V HA -0.245 3.869 4.120 -0.011 0.000 0.247 179 V C 2.775 178.842 176.094 -0.046 0.000 1.051 179 V CA 1.518 63.840 62.300 0.037 0.000 1.018 179 V CB -0.551 31.279 31.823 0.013 0.000 0.641 179 V HN 0.107 8.297 8.190 -0.000 0.000 0.445 180 V N 0.022 119.734 119.914 -0.336 0.000 2.295 180 V HA -0.277 3.837 4.120 -0.011 0.000 0.246 180 V C 2.554 178.551 176.094 -0.160 0.000 1.049 180 V CA 2.265 64.382 62.300 -0.304 0.000 1.024 180 V CB -0.746 30.777 31.823 -0.501 0.000 0.648 180 V HN 0.632 8.822 8.190 -0.000 0.000 0.447 181 E N 1.022 121.122 120.200 -0.166 0.000 2.130 181 E HA -0.228 4.116 4.350 -0.011 0.000 0.196 181 E C 1.989 178.524 176.600 -0.107 0.000 0.998 181 E CA 1.815 58.142 56.400 -0.121 0.000 0.806 181 E CB -0.368 29.257 29.700 -0.124 0.000 0.738 181 E HN 0.611 8.971 8.360 -0.000 0.000 0.459 182 N N -0.446 118.173 118.700 -0.135 0.000 2.171 182 N HA -0.099 4.634 4.740 -0.011 0.000 0.184 182 N C 1.843 177.361 175.510 0.013 0.000 1.021 182 N CA 1.475 54.388 53.050 -0.228 0.000 0.854 182 N CB -0.051 37.993 38.487 -0.739 0.000 0.994 182 N HN 0.118 8.498 8.380 -0.000 0.000 0.426 183 V N 1.997 122.035 119.914 0.206 0.000 2.407 183 V HA -0.223 3.891 4.120 -0.011 0.000 0.248 183 V C 2.504 178.672 176.094 0.122 0.000 1.055 183 V CA 1.505 63.938 62.300 0.222 0.000 1.049 183 V CB -0.517 31.384 31.823 0.131 0.000 0.662 183 V HN 0.331 8.521 8.190 -0.000 0.000 0.455 184 K N 0.478 120.903 120.400 0.042 0.000 2.002 184 K HA -0.208 4.105 4.320 -0.011 0.000 0.209 184 K C 2.402 179.045 176.600 0.073 0.000 1.048 184 K CA 1.715 58.023 56.287 0.036 0.000 0.930 184 K CB -0.188 32.300 32.500 -0.020 0.000 0.714 184 K HN 0.338 8.588 8.250 -0.000 0.000 0.438 185 R N 0.276 120.790 120.500 0.023 0.000 2.096 185 R HA -0.124 4.210 4.340 -0.011 0.000 0.235 185 R C 2.434 178.755 176.300 0.036 0.000 1.127 185 R CA 1.253 57.358 56.100 0.009 0.000 0.968 185 R CB -0.453 29.819 30.300 -0.047 0.000 0.861 185 R HN 0.202 8.472 8.270 -0.000 0.000 0.440 186 L N -0.064 121.200 121.223 0.068 0.000 2.017 186 L HA -0.212 4.121 4.340 -0.011 0.000 0.208 186 L C 2.122 179.061 176.870 0.114 0.000 1.073 186 L CA 1.708 56.606 54.840 0.097 0.000 0.745 186 L CB -0.555 41.614 42.059 0.183 0.000 0.894 186 L HN 0.116 8.346 8.230 -0.000 0.000 0.432 187 Y N -0.375 119.949 120.300 0.040 0.000 2.153 187 Y HA -0.217 4.327 4.550 -0.010 0.000 0.289 187 Y C 2.531 178.441 175.900 0.017 0.000 1.127 187 Y CA 1.994 60.115 58.100 0.034 0.000 1.131 187 Y CB -0.053 38.427 38.460 0.032 0.000 0.995 187 Y HN 0.307 8.587 8.280 -0.000 0.000 0.505 188 Q N -0.619 119.289 119.800 0.179 0.000 2.137 188 Q HA -0.100 4.234 4.340 -0.011 0.000 0.198 188 Q C 1.749 177.745 176.000 -0.007 0.000 0.960 188 Q CA 1.256 57.114 55.803 0.091 0.000 0.847 188 Q CB 0.132 28.949 28.738 0.131 0.000 0.915 188 Q HN 0.509 8.779 8.270 -0.000 0.000 0.448 189 E N 0.129 120.327 120.200 -0.003 0.000 2.244 189 E HA 0.086 4.430 4.350 -0.011 0.000 0.196 189 E C 1.625 178.201 176.600 -0.039 0.000 0.939 189 E CA 0.725 57.111 56.400 -0.023 0.000 0.884 189 E CB 0.183 29.872 29.700 -0.019 0.000 0.850 189 E HN 0.224 8.584 8.360 -0.000 0.000 0.481 190 A N 1.010 123.808 122.820 -0.037 0.000 2.081 190 A HA -0.036 4.278 4.320 -0.011 0.000 0.214 190 A C 0.512 178.055 177.584 -0.068 0.000 1.158 190 A CA 0.284 52.295 52.037 -0.044 0.000 0.724 190 A CB -0.202 18.783 19.000 -0.025 0.000 0.826 190 A HN 0.216 8.366 8.150 -0.000 0.000 0.463 191 E N -0.999 119.133 120.200 -0.113 0.000 2.252 191 E HA -0.190 4.154 4.350 -0.011 0.000 0.218 191 E C -0.991 175.538 176.600 -0.117 0.000 1.253 191 E CA 0.501 56.784 56.400 -0.196 0.000 0.705 191 E CB -1.837 27.758 29.700 -0.175 0.000 1.172 191 E HN 0.617 8.977 8.360 -0.000 0.000 0.369 192 L N -0.275 120.918 121.223 -0.051 0.000 2.323 192 L HA 0.663 4.996 4.340 -0.011 0.000 0.265 192 L C 0.060 176.988 176.870 0.098 0.000 1.012 192 L CA -1.277 53.572 54.840 0.016 0.000 0.820 192 L CB 2.015 44.083 42.059 0.014 0.000 1.334 192 L HN -0.156 8.074 8.230 -0.000 0.000 0.427 193 V N 0.887 120.877 119.914 0.127 0.000 2.448 193 V HA 0.193 4.307 4.120 -0.011 0.000 0.295 193 V C 0.843 177.015 176.094 0.129 0.000 1.025 193 V CA -0.504 61.912 62.300 0.193 0.000 0.859 193 V CB 1.263 33.243 31.823 0.262 0.000 0.988 193 V HN 0.772 8.962 8.190 -0.000 0.000 0.431 194 H N 4.620 123.714 119.070 0.041 0.000 2.265 194 H HA -0.250 4.300 4.556 -0.010 0.000 0.295 194 H C 1.784 177.034 175.328 -0.129 0.000 1.084 194 H CA 2.594 58.616 56.048 -0.044 0.000 1.261 194 H CB 0.362 30.076 29.762 -0.080 0.000 1.360 194 H HN 1.004 9.284 8.280 -0.000 0.000 0.487 195 A N -0.095 122.772 122.820 0.078 0.000 3.384 195 A HA -0.214 4.099 4.320 -0.011 0.000 0.260 195 A C 0.863 178.365 177.584 -0.137 0.000 1.168 195 A CA 1.539 53.499 52.037 -0.129 0.000 1.253 195 A CB -1.823 16.878 19.000 -0.498 0.000 1.122 195 A HN 0.564 8.714 8.150 -0.000 0.000 0.934 196 D N -1.382 119.065 120.400 0.078 0.000 2.914 196 D HA 0.384 5.017 4.640 -0.011 0.000 0.349 196 D C -0.534 175.775 176.300 0.016 0.000 1.540 196 D CA -0.222 53.797 54.000 0.032 0.000 0.778 196 D CB -0.124 40.655 40.800 -0.036 0.000 1.213 196 D HN 0.432 8.802 8.370 -0.000 0.000 0.451 197 L N 2.013 123.154 121.223 -0.136 0.000 2.315 197 L HA 0.572 4.905 4.340 -0.011 0.000 0.283 197 L C -0.122 176.596 176.870 -0.252 0.000 1.089 197 L CA 0.366 54.911 54.840 -0.492 0.000 0.833 197 L CB 0.552 42.249 42.059 -0.602 0.000 1.170 197 L HN 0.249 8.479 8.230 -0.000 0.000 0.442 198 S N 2.556 118.104 115.700 -0.254 0.000 2.636 198 S HA 0.326 4.789 4.470 -0.011 0.000 0.268 198 S C 0.479 174.917 174.600 -0.271 0.000 1.159 198 S CA -0.205 57.903 58.200 -0.152 0.000 0.815 198 S CB 0.737 63.939 63.200 0.003 0.000 1.130 198 S HN 0.614 8.924 8.310 -0.000 0.000 0.471 199 E N 0.658 120.573 120.200 -0.476 0.000 2.273 199 E HA -0.221 4.123 4.350 -0.011 0.000 0.198 199 E C 0.961 177.232 176.600 -0.548 0.000 1.002 199 E CA 1.587 57.484 56.400 -0.837 0.000 0.828 199 E CB -0.773 27.850 29.700 -1.795 0.000 0.747 199 E HN 0.807 9.167 8.360 -0.000 0.000 0.491 200 Y N 0.982 121.117 120.300 -0.275 0.000 2.509 200 Y HA 0.043 4.586 4.550 -0.011 0.000 0.293 200 Y C 1.325 177.143 175.900 -0.136 0.000 1.133 200 Y CA 0.933 58.931 58.100 -0.171 0.000 1.283 200 Y CB 0.196 38.587 38.460 -0.116 0.000 1.001 200 Y HN 0.048 8.328 8.280 -0.000 0.000 0.555 201 N N -0.178 118.495 118.700 -0.046 0.000 2.351 201 N HA 0.280 5.014 4.740 -0.011 0.000 0.254 201 N C -0.549 174.914 175.510 -0.078 0.000 1.241 201 N CA 0.216 53.240 53.050 -0.044 0.000 0.883 201 N CB 0.718 39.188 38.487 -0.028 0.000 1.202 201 N HN 0.202 8.582 8.380 -0.000 0.000 0.512 205 I N 7.778 128.038 120.570 -0.516 0.000 2.588 205 I HA 0.280 4.444 4.170 -0.011 0.000 0.278 205 I C -0.370 175.459 176.117 -0.480 0.000 1.144 205 I CA 0.094 61.141 61.300 -0.422 0.000 1.074 205 I CB 0.586 38.489 38.000 -0.161 0.000 1.235 205 I HN 0.948 9.158 8.210 -0.000 0.000 0.472 206 D N 3.228 123.196 120.400 -0.720 0.000 2.382 206 D HA -0.249 4.384 4.640 -0.011 0.000 0.163 206 D C -0.055 176.034 176.300 -0.352 0.000 1.469 206 D CA 2.174 55.938 54.000 -0.394 0.000 1.338 206 D CB -0.419 40.295 40.800 -0.144 0.000 1.241 206 D HN 0.744 9.114 8.370 -0.000 0.000 0.441 207 K N -0.693 119.430 120.400 -0.462 0.000 2.548 207 K HA 0.578 4.892 4.320 -0.011 0.000 0.282 207 K C -0.130 176.380 176.600 -0.150 0.000 1.006 207 K CA -0.889 55.288 56.287 -0.183 0.000 0.892 207 K CB 2.400 34.756 32.500 -0.240 0.000 1.499 207 K HN -0.036 8.214 8.250 -0.000 0.000 0.433 208 V N -1.188 118.747 119.914 0.035 0.000 2.953 208 V HA 0.519 4.632 4.120 -0.011 0.000 0.304 208 V C -1.181 174.812 176.094 -0.170 0.000 1.073 208 V CA -0.129 62.251 62.300 0.133 0.000 1.064 208 V CB 0.040 32.008 31.823 0.241 0.000 1.047 208 V HN 0.726 8.916 8.190 -0.000 0.000 0.478 209 Y N 1.753 122.085 120.300 0.054 0.000 2.442 209 Y HA 0.617 5.160 4.550 -0.011 0.000 0.344 209 Y C -0.136 175.896 175.900 0.220 0.000 0.976 209 Y CA -0.691 57.413 58.100 0.007 0.000 1.040 209 Y CB 2.077 40.519 38.460 -0.030 0.000 1.228 209 Y HN 0.628 8.908 8.280 -0.000 0.000 0.451 210 F N 4.613 124.630 119.950 0.112 0.000 2.379 210 F HA 0.656 5.176 4.527 -0.011 0.000 0.332 210 F C 0.331 176.199 175.800 0.113 0.000 1.096 210 F CA -0.920 57.128 58.000 0.080 0.000 1.105 210 F CB 1.179 40.228 39.000 0.080 0.000 1.189 210 F HN 0.333 8.633 8.300 -0.000 0.000 0.515 211 I N -1.521 119.234 120.570 0.307 0.000 3.239 211 I HA 0.711 4.874 4.170 -0.011 0.000 0.314 211 I C -0.793 175.450 176.117 0.211 0.000 1.126 211 I CA -0.887 60.526 61.300 0.189 0.000 0.973 211 I CB 1.913 39.961 38.000 0.079 0.000 1.252 211 I HN 0.565 8.775 8.210 -0.000 0.000 0.463 215 Q N 1.712 121.082 119.800 -0.716 0.000 2.432 215 Q HA 0.463 4.796 4.340 -0.011 0.000 0.205 215 Q C 1.027 176.746 176.000 -0.468 0.000 0.945 215 Q CA 0.844 56.282 55.803 -0.607 0.000 0.924 215 Q CB -0.227 28.076 28.738 -0.724 0.000 1.016 215 Q HN 0.670 8.940 8.270 -0.000 0.000 0.503 216 A N 1.886 124.446 122.820 -0.434 0.000 2.511 216 A HA 0.424 4.737 4.320 -0.011 0.000 0.242 216 A C 0.389 177.893 177.584 -0.133 0.000 1.069 216 A CA 0.025 51.897 52.037 -0.276 0.000 0.763 216 A CB 0.247 19.084 19.000 -0.272 0.000 1.001 216 A HN 0.381 8.531 8.150 -0.000 0.000 0.498 217 V N 0.627 120.528 119.914 -0.022 0.000 3.019 217 V HA 0.875 4.989 4.120 -0.011 0.000 0.317 217 V C 0.407 176.553 176.094 0.086 0.000 1.094 217 V CA -0.144 62.196 62.300 0.066 0.000 1.000 217 V CB 1.166 33.033 31.823 0.073 0.000 1.060 217 V HN 1.200 9.390 8.190 -0.000 0.000 0.443 218 T N -0.159 114.459 114.554 0.106 0.000 2.788 218 T HA 0.371 4.715 4.350 -0.011 0.000 0.280 218 T C 0.662 175.412 174.700 0.083 0.000 0.984 218 T CA -0.373 61.763 62.100 0.060 0.000 0.972 218 T CB 0.767 69.655 68.868 0.033 0.000 1.039 218 T HN 0.510 8.750 8.240 -0.000 0.000 0.530 219 L N 0.403 121.630 121.223 0.007 0.000 2.622 219 L HA 0.214 4.548 4.340 -0.011 0.000 0.233 219 L C 2.571 179.465 176.870 0.039 0.000 1.156 219 L CA 1.028 55.868 54.840 -0.000 0.000 0.866 219 L CB -1.180 40.791 42.059 -0.148 0.000 0.980 219 L HN 0.674 8.904 8.230 -0.000 0.000 0.448 220 R N -2.090 118.442 120.500 0.053 0.000 2.246 220 R HA 0.027 4.360 4.340 -0.011 0.000 0.199 220 R C 0.373 176.723 176.300 0.082 0.000 0.984 220 R CA -0.129 56.000 56.100 0.048 0.000 1.015 220 R CB -0.245 30.068 30.300 0.022 0.000 0.930 220 R HN 0.313 8.583 8.270 -0.000 0.000 0.475 221 H N 2.439 121.538 119.070 0.049 0.000 2.928 221 H HA 0.065 4.614 4.556 -0.011 0.000 0.338 221 H C -1.981 173.360 175.328 0.022 0.000 1.047 221 H CA -1.191 54.896 56.048 0.066 0.000 1.435 221 H CB 0.713 30.556 29.762 0.135 0.000 1.428 221 H HN -0.131 8.149 8.280 -0.000 0.000 0.590 225 E N 1.282 121.527 120.200 0.074 0.000 2.051 225 E HA -0.187 4.156 4.350 -0.011 0.000 0.192 225 E C 2.154 178.799 176.600 0.075 0.000 0.991 225 E CA 2.192 58.648 56.400 0.094 0.000 0.799 225 E CB -0.038 29.708 29.700 0.076 0.000 0.748 225 E HN 0.738 9.098 8.360 -0.000 0.000 0.449 226 S N -0.388 115.308 115.700 -0.007 0.000 2.368 226 S HA -0.198 4.265 4.470 -0.011 0.000 0.225 226 S C 1.944 176.635 174.600 0.150 0.000 1.030 226 S CA 1.026 59.243 58.200 0.028 0.000 0.999 226 S CB -0.690 62.480 63.200 -0.050 0.000 0.844 226 S HN 0.289 8.599 8.310 -0.000 0.000 0.459 227 Y N 1.733 122.108 120.300 0.125 0.000 2.114 227 Y HA -0.017 4.527 4.550 -0.011 0.000 0.282 227 Y C 2.494 178.469 175.900 0.126 0.000 1.165 227 Y CA 0.450 58.628 58.100 0.130 0.000 1.148 227 Y CB -1.388 37.148 38.460 0.126 0.000 0.972 227 Y HN 0.319 8.599 8.280 -0.000 0.000 0.504 228 L N 0.495 121.893 121.223 0.290 0.000 2.046 228 L HA -0.183 4.150 4.340 -0.011 0.000 0.208 228 L C 2.060 179.034 176.870 0.174 0.000 1.077 228 L CA 1.836 56.796 54.840 0.200 0.000 0.747 228 L CB -0.737 41.417 42.059 0.159 0.000 0.896 228 L HN 0.205 8.435 8.230 -0.000 0.000 0.432 229 E N -0.781 119.541 120.200 0.203 0.000 2.110 229 E HA -0.269 4.075 4.350 -0.011 0.000 0.193 229 E C 2.313 179.092 176.600 0.298 0.000 0.988 229 E CA 1.191 57.774 56.400 0.305 0.000 0.804 229 E CB -0.215 29.683 29.700 0.331 0.000 0.745 229 E HN 0.435 8.795 8.360 -0.000 0.000 0.458 230 R N 0.900 121.533 120.500 0.223 0.000 2.081 230 R HA -0.167 4.166 4.340 -0.011 0.000 0.235 230 R C 1.556 177.952 176.300 0.159 0.000 1.131 230 R CA 1.744 57.953 56.100 0.181 0.000 0.960 230 R CB 0.024 30.439 30.300 0.192 0.000 0.856 230 R HN 0.088 8.358 8.270 -0.000 0.000 0.436 231 D N 0.191 120.679 120.400 0.148 0.000 2.092 231 D HA -0.176 4.458 4.640 -0.011 0.000 0.193 231 D C 1.950 178.315 176.300 0.109 0.000 0.994 231 D CA 1.828 55.879 54.000 0.086 0.000 0.828 231 D CB -0.500 40.334 40.800 0.056 0.000 0.963 231 D HN 0.285 8.655 8.370 -0.000 0.000 0.450 232 V N -0.125 119.877 119.914 0.146 0.000 2.392 232 V HA -0.218 3.896 4.120 -0.011 0.000 0.249 232 V C 2.167 178.428 176.094 0.279 0.000 1.059 232 V CA 1.499 63.906 62.300 0.178 0.000 1.051 232 V CB -0.579 31.299 31.823 0.092 0.000 0.658 232 V HN 0.035 8.225 8.190 -0.000 0.000 0.455 233 R N 0.555 121.238 120.500 0.305 0.000 2.096 233 R HA -0.108 4.226 4.340 -0.011 0.000 0.235 233 R C 2.346 178.765 176.300 0.199 0.000 1.127 233 R CA 1.753 57.996 56.100 0.239 0.000 0.968 233 R CB -0.580 29.798 30.300 0.129 0.000 0.861 233 R HN 0.582 8.852 8.270 -0.000 0.000 0.440 234 N N 0.626 119.431 118.700 0.174 0.000 2.142 234 N HA -0.112 4.621 4.740 -0.011 0.000 0.186 234 N C 1.752 177.407 175.510 0.241 0.000 1.023 234 N CA 1.034 54.183 53.050 0.166 0.000 0.852 234 N CB -0.110 38.438 38.487 0.101 0.000 0.998 234 N HN 0.099 8.479 8.380 -0.000 0.000 0.424 235 I N 1.505 122.235 120.570 0.267 0.000 2.113 235 I HA -0.167 3.996 4.170 -0.011 0.000 0.238 235 I C 2.322 178.793 176.117 0.590 0.000 1.070 235 I CA 0.712 62.278 61.300 0.445 0.000 1.332 235 I CB -1.150 37.051 38.000 0.335 0.000 1.044 235 I HN 0.040 8.250 8.210 -0.000 0.000 0.402 236 I N 0.405 121.244 120.570 0.447 0.000 2.113 236 I HA -0.372 3.792 4.170 -0.011 0.000 0.242 236 I C 2.899 179.173 176.117 0.262 0.000 1.064 236 I CA 1.618 63.130 61.300 0.355 0.000 1.320 236 I CB -0.451 37.718 38.000 0.281 0.000 1.028 236 I HN 0.248 8.458 8.210 -0.000 0.000 0.406 237 R N 0.529 121.166 120.500 0.227 0.000 2.080 237 R HA -0.256 4.078 4.340 -0.011 0.000 0.236 237 R C 2.500 178.896 176.300 0.160 0.000 1.137 237 R CA 2.203 58.398 56.100 0.158 0.000 0.943 237 R CB -0.567 29.818 30.300 0.142 0.000 0.846 237 R HN 0.275 8.545 8.270 -0.000 0.000 0.431 238 F N 0.610 120.612 119.950 0.086 0.000 2.095 238 F HA -0.176 4.344 4.527 -0.010 0.000 0.298 238 F C 1.715 177.500 175.800 -0.026 0.000 1.104 238 F CA 1.597 59.583 58.000 -0.022 0.000 1.232 238 F CB -0.493 38.413 39.000 -0.157 0.000 0.987 238 F HN -0.023 8.277 8.300 -0.000 0.000 0.475 239 F N 0.510 120.525 119.950 0.109 0.000 2.407 239 F HA -0.102 4.419 4.527 -0.011 0.000 0.299 239 F C 2.786 178.523 175.800 -0.104 0.000 1.097 239 F CA 1.111 59.105 58.000 -0.011 0.000 1.422 239 F CB -1.004 38.046 39.000 0.083 0.000 1.067 239 F HN 0.094 8.394 8.300 -0.000 0.000 0.539 240 S N -0.185 115.528 115.700 0.021 0.000 2.474 240 S HA -0.153 4.311 4.470 -0.011 0.000 0.235 240 S C 1.673 176.179 174.600 -0.156 0.000 0.997 240 S CA 0.711 58.875 58.200 -0.059 0.000 0.949 240 S CB -0.477 62.700 63.200 -0.039 0.000 0.766 240 S HN 0.404 8.714 8.310 -0.000 0.000 0.517 241 K N -0.221 120.010 120.400 -0.282 0.000 2.486 241 K HA 0.080 4.393 4.320 -0.011 0.000 0.194 241 K C 0.057 176.164 176.600 -0.821 0.000 1.033 241 K CA 0.675 56.637 56.287 -0.541 0.000 1.004 241 K CB -0.080 32.013 32.500 -0.678 0.000 0.798 241 K HN 0.579 8.829 8.250 -0.000 0.000 0.495 242 Y N -0.816 119.339 120.300 -0.242 0.000 2.641 242 Y HA 0.226 4.770 4.550 -0.010 0.000 0.248 242 Y C 1.074 176.916 175.900 -0.097 0.000 1.170 242 Y CA -0.154 57.841 58.100 -0.176 0.000 1.201 242 Y CB 1.556 39.889 38.460 -0.212 0.000 1.232 242 Y HN 0.140 8.420 8.280 -0.000 0.000 0.537 243 G N 0.068 108.855 108.800 -0.022 0.000 2.163 243 G HA2 -0.228 3.726 3.960 -0.011 0.000 0.213 243 G HA3 -0.228 3.726 3.960 -0.011 0.000 0.213 243 G C -0.416 174.455 174.900 -0.047 0.000 0.991 243 G CA -0.069 45.010 45.100 -0.035 0.000 0.653 243 G HN 0.065 8.355 8.290 -0.000 0.000 0.518 244 V N 2.719 122.601 119.914 -0.053 0.000 2.368 244 V HA 0.413 4.527 4.120 -0.011 0.000 0.266 244 V C 0.123 176.074 176.094 -0.237 0.000 1.045 244 V CA -0.777 61.418 62.300 -0.176 0.000 0.899 244 V CB 1.363 33.027 31.823 -0.265 0.000 1.006 244 V HN 0.215 8.405 8.190 -0.000 0.000 0.470 245 K N 4.460 124.735 120.400 -0.209 0.000 2.248 245 K HA 0.818 5.132 4.320 -0.011 0.000 0.281 245 K C -0.154 176.332 176.600 -0.191 0.000 1.054 245 K CA 0.004 56.201 56.287 -0.151 0.000 0.903 245 K CB 1.849 34.296 32.500 -0.088 0.000 1.077 245 K HN 0.749 8.999 8.250 -0.000 0.000 0.474 246 A N 2.713 125.453 122.820 -0.134 0.000 2.606 246 A HA 0.478 4.791 4.320 -0.011 0.000 0.293 246 A C -1.503 176.104 177.584 0.039 0.000 1.082 246 A CA -0.880 51.118 52.037 -0.065 0.000 0.685 246 A CB 1.241 20.165 19.000 -0.126 0.000 1.284 246 A HN 0.583 8.733 8.150 -0.000 0.000 0.408 247 D N 1.091 121.538 120.400 0.079 0.000 2.256 247 D HA 0.318 4.952 4.640 -0.011 0.000 0.240 247 D C 0.766 177.157 176.300 0.153 0.000 1.062 247 D CA -0.252 53.814 54.000 0.111 0.000 0.832 247 D CB 1.380 42.226 40.800 0.078 0.000 1.135 247 D HN 0.438 8.808 8.370 -0.000 0.000 0.484 248 F N 2.691 122.674 119.950 0.055 0.000 2.085 248 F HA -0.279 4.241 4.527 -0.011 0.000 0.299 248 F C 2.131 177.953 175.800 0.037 0.000 1.096 248 F CA 1.988 60.021 58.000 0.054 0.000 1.227 248 F CB 0.255 39.282 39.000 0.045 0.000 0.983 248 F HN 0.477 8.777 8.300 -0.000 0.000 0.482 249 E N 0.417 120.646 120.200 0.047 0.000 2.072 249 E HA -0.187 4.156 4.350 -0.011 0.000 0.191 249 E C 1.269 177.792 176.600 -0.129 0.000 0.985 249 E CA 0.642 56.997 56.400 -0.075 0.000 0.801 249 E CB -0.311 29.426 29.700 0.062 0.000 0.750 249 E HN 0.647 9.007 8.360 -0.000 0.000 0.452 253 K N 0.343 120.610 120.400 -0.222 0.000 2.057 253 K HA -0.142 4.171 4.320 -0.011 0.000 0.206 253 K C 1.651 178.175 176.600 -0.127 0.000 1.050 253 K CA 1.768 57.965 56.287 -0.150 0.000 0.935 253 K CB 0.020 32.459 32.500 -0.101 0.000 0.715 253 K HN 0.475 8.725 8.250 -0.000 0.000 0.439 254 E N 0.492 120.621 120.200 -0.118 0.000 2.110 254 E HA -0.184 4.160 4.350 -0.011 0.000 0.193 254 E C 1.731 178.267 176.600 -0.107 0.000 0.988 254 E CA 1.155 57.500 56.400 -0.093 0.000 0.804 254 E CB 0.158 29.811 29.700 -0.078 0.000 0.745 254 E HN 0.017 8.377 8.360 -0.000 0.000 0.458 255 V N 0.913 120.732 119.914 -0.159 0.000 2.323 255 V HA -0.161 3.952 4.120 -0.011 0.000 0.244 255 V C 2.083 178.034 176.094 -0.239 0.000 1.041 255 V CA 1.872 64.067 62.300 -0.174 0.000 1.025 255 V CB -0.260 31.432 31.823 -0.219 0.000 0.656 255 V HN 0.208 8.398 8.190 -0.000 0.000 0.451 256 K N -0.125 120.053 120.400 -0.371 0.000 2.459 256 K HA 0.178 4.492 4.320 -0.011 0.000 0.193 256 K C 1.198 177.757 176.600 -0.068 0.000 1.030 256 K CA 0.670 56.695 56.287 -0.437 0.000 1.026 256 K CB 0.131 32.359 32.500 -0.453 0.000 0.809 256 K HN 0.559 8.809 8.250 -0.000 0.000 0.504 257 G N 2.397 111.165 108.800 -0.054 0.000 2.256 257 G HA2 -0.252 3.701 3.960 -0.011 0.000 0.272 257 G HA3 -0.252 3.701 3.960 -0.011 0.000 0.272 257 G C -0.458 174.436 174.900 -0.011 0.000 1.076 257 G CA 0.195 45.292 45.100 -0.005 0.000 0.882 257 G HN 0.376 8.666 8.290 -0.000 0.000 0.497 258 E N 0.000 120.178 120.200 -0.037 0.000 2.725 258 E HA 0.000 4.344 4.350 -0.011 0.000 0.291 258 E CA 0.000 56.383 56.400 -0.028 0.000 0.976 258 E CB 0.000 29.676 29.700 -0.041 0.000 0.812 258 E HN 0.000 8.360 8.360 -0.000 0.000 0.440