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 3m7u_1_A DATA FIRST_RESID 1 DATA SEQUENCE ANIVGGIEYS INNASLCSVG FSVTRGATKG FVTAGHCGTV NATARIGGAV DATA SEQUENCE VGTFAARVFP GNDAAWVSLT SAQTLLPRVA NGSSFVTVRG STEAAVGAAV DATA SEQUENCE cRSGRTTGYQ cGTITAKNVT ANYAEGAVRG LTQGNACMGR GDSGGSWITS DATA SEQUENCE AGQAQGVMSG GNVQSNGNNC GIPASQRSSL FQRLQPILSQ YGLSLVTG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 4.326 4.320 0.010 0.000 0.244 1 A C 0.000 177.587 177.584 0.005 0.000 1.274 1 A CA 0.000 52.044 52.037 0.012 0.000 0.836 1 A CB 0.000 19.011 19.000 0.018 0.000 0.831 2 N N 0.689 119.388 118.700 -0.002 0.000 2.444 2 N HA 0.220 5.096 4.740 -0.015 -0.145 0.271 2 N C -0.585 174.912 175.510 -0.022 0.000 1.069 2 N CA -0.547 52.494 53.050 -0.014 0.000 0.965 2 N CB 0.471 38.945 38.487 -0.023 0.000 1.092 2 N HN 0.096 8.476 8.380 -0.000 0.000 0.476 3 I N 6.472 127.027 120.570 -0.025 0.000 2.297 3 I HA 0.059 4.178 4.170 -0.086 0.000 0.291 3 I C -1.679 174.406 176.117 -0.054 0.000 1.033 3 I CA -1.533 59.738 61.300 -0.049 0.000 1.253 3 I CB -1.227 36.774 38.000 0.003 0.000 1.396 3 I HN 0.616 8.816 8.210 -0.016 0.000 0.476 4 V N 6.545 126.413 119.914 -0.076 0.000 2.709 4 V HA 0.261 4.479 4.120 -0.016 -0.108 0.308 4 V C -0.059 175.980 176.094 -0.093 0.000 1.062 4 V CA -2.593 59.688 62.300 -0.033 0.000 0.901 4 V CB 3.342 35.199 31.823 0.057 0.000 1.003 4 V HN 0.040 8.168 8.190 -0.104 0.000 0.425 5 G N 4.052 112.798 108.800 -0.090 0.000 2.353 5 G HA2 -0.206 3.754 3.960 -0.287 0.000 0.239 5 G HA3 -0.206 3.657 3.960 -0.247 -0.051 0.239 5 G C -0.300 174.518 174.900 -0.137 0.000 1.295 5 G CA 1.020 45.998 45.100 -0.203 0.000 0.884 5 G HN 0.402 8.671 8.290 -0.035 0.000 0.537 6 G N 3.411 112.112 108.800 -0.164 0.000 2.234 6 G HA2 -0.426 3.628 3.960 -0.099 0.000 0.235 6 G HA3 -0.426 3.492 3.960 -0.069 0.000 0.235 6 G C -0.200 174.659 174.900 -0.067 0.000 0.997 6 G CA -0.183 44.859 45.100 -0.096 0.000 0.623 6 G HN 0.335 8.389 8.290 -0.209 0.111 0.514 7 I N -3.334 117.189 120.570 -0.078 0.000 2.823 7 I HA 0.086 4.236 4.170 -0.034 0.000 0.290 7 I C -1.511 174.597 176.117 -0.016 0.000 1.091 7 I CA -0.697 60.574 61.300 -0.047 0.000 1.365 7 I CB 0.991 38.964 38.000 -0.046 0.000 1.427 7 I HN -0.911 7.178 8.210 -0.107 0.057 0.583 8 E N 3.186 123.385 120.200 -0.001 0.000 2.373 8 E HA 0.278 5.002 4.350 -0.014 -0.382 0.267 8 E C -0.884 175.776 176.600 0.100 0.000 1.032 8 E CA 0.329 56.735 56.400 0.010 0.000 0.889 8 E CB 1.119 30.809 29.700 -0.016 0.000 0.984 8 E HN 0.051 8.405 8.360 -0.009 0.000 0.425 9 Y N 1.413 121.692 120.300 -0.035 0.000 2.588 9 Y HA 0.728 5.396 4.550 0.009 -0.113 0.343 9 Y C -2.241 173.690 175.900 0.052 0.000 1.065 9 Y CA -2.744 55.365 58.100 0.014 0.000 1.038 9 Y CB 3.139 41.627 38.460 0.046 0.000 1.297 9 Y HN 0.284 8.499 8.280 -0.109 0.000 0.467 10 S N -0.840 114.901 115.700 0.068 0.000 2.638 10 S HA 0.815 5.378 4.470 -0.141 -0.178 0.298 10 S C -0.553 174.120 174.600 0.122 0.000 1.111 10 S CA -2.764 55.428 58.200 -0.014 0.000 1.027 10 S CB 2.577 65.786 63.200 0.015 0.000 1.064 10 S HN 0.252 8.672 8.310 0.182 0.000 0.525 11 I N 0.484 121.084 120.570 0.051 0.000 2.410 11 I HA 0.345 4.830 4.170 0.229 -0.177 0.286 11 I C -0.040 176.099 176.117 0.037 0.000 1.009 11 I CA -1.083 60.285 61.300 0.114 0.000 1.111 11 I CB 1.598 39.632 38.000 0.055 0.000 1.262 11 I HN -0.006 8.192 8.210 -0.021 0.000 0.443 12 N N 10.227 128.959 118.700 0.053 0.000 2.716 12 N HA -0.339 4.419 4.740 0.030 0.000 0.250 12 N C -0.901 174.616 175.510 0.013 0.000 1.033 12 N CA 1.473 54.536 53.050 0.021 0.000 0.727 12 N CB -1.378 37.104 38.487 -0.009 0.000 0.950 12 N HN 0.872 9.305 8.380 0.089 0.000 0.541 13 N N -8.715 109.999 118.700 0.024 0.000 2.708 13 N HA -0.455 4.297 4.740 0.019 0.000 0.251 13 N C -1.029 174.479 175.510 -0.002 0.000 1.123 13 N CA 1.626 54.684 53.050 0.013 0.000 0.739 13 N CB -1.012 37.482 38.487 0.011 0.000 1.113 13 N HN 0.418 8.806 8.380 0.041 0.017 0.561 14 A N -1.427 121.386 122.820 -0.011 0.000 1.936 14 A HA 0.283 4.591 4.320 -0.020 0.000 0.197 14 A C -0.256 177.305 177.584 -0.040 0.000 2.189 14 A CA 0.648 52.671 52.037 -0.024 0.000 1.491 14 A CB 1.175 20.159 19.000 -0.026 0.000 1.021 14 A HN -0.262 7.755 8.150 -0.009 0.127 0.537 15 S N 0.340 116.008 115.700 -0.055 0.000 2.584 15 S HA 0.085 4.516 4.470 -0.066 0.000 0.270 15 S C -1.322 173.206 174.600 -0.120 0.000 1.346 15 S CA 0.677 58.831 58.200 -0.078 0.000 1.018 15 S CB 0.578 63.727 63.200 -0.085 0.000 0.899 15 S HN 0.076 8.354 8.310 -0.054 0.000 0.542 16 L N -0.230 120.910 121.223 -0.139 0.000 2.334 16 L HA 0.631 4.983 4.340 -0.267 -0.173 0.276 16 L C -0.102 176.605 176.870 -0.271 0.000 1.014 16 L CA -1.169 53.545 54.840 -0.210 0.000 0.815 16 L CB 2.390 44.370 42.059 -0.132 0.000 1.268 16 L HN 0.088 8.252 8.230 -0.110 0.000 0.428 17 C N 0.848 119.856 119.300 -0.487 0.000 3.295 17 C HA 0.590 5.060 4.460 -0.199 -0.129 0.370 17 C C -1.777 173.051 174.990 -0.269 0.000 1.974 17 C CA -1.283 57.511 59.018 -0.372 0.000 1.282 17 C CB 4.641 32.161 27.740 -0.366 0.000 2.380 17 C HN 0.570 8.375 8.230 -0.709 0.000 0.443 18 S N -0.920 114.782 115.700 0.004 0.000 2.526 18 S HA 0.757 5.477 4.470 0.077 -0.203 0.293 18 S C -0.859 173.859 174.600 0.197 0.000 1.092 18 S CA -1.714 56.542 58.200 0.092 0.000 0.980 18 S CB 2.453 65.660 63.200 0.011 0.000 1.048 18 S HN 0.367 8.708 8.310 0.053 0.000 0.483 19 V N 2.965 122.858 119.914 -0.036 0.000 2.673 19 V HA -0.295 3.471 4.120 -0.589 0.000 0.303 19 V C 0.297 176.231 176.094 -0.267 0.000 1.046 19 V CA 2.598 64.646 62.300 -0.420 0.000 1.126 19 V CB 0.190 31.578 31.823 -0.726 0.000 0.934 19 V HN 0.154 8.309 8.190 -0.058 0.000 0.487 20 G N 6.414 115.106 108.800 -0.181 0.000 2.624 20 G HA2 0.153 3.974 3.960 -0.434 0.000 0.216 20 G HA3 0.153 4.152 3.960 -0.099 -0.099 0.216 20 G C -1.728 172.715 174.900 -0.761 0.000 1.274 20 G CA 0.739 45.638 45.100 -0.335 0.000 0.856 20 G HN 0.158 8.423 8.290 -0.041 0.000 0.555 21 F N -3.669 116.345 119.950 0.107 0.000 2.608 21 F HA 0.214 4.771 4.527 0.051 0.000 0.309 21 F C -1.578 174.293 175.800 0.118 0.000 1.103 21 F CA -1.200 56.850 58.000 0.084 0.000 0.954 21 F CB 3.608 42.655 39.000 0.078 0.000 1.267 21 F HN -0.849 7.574 8.300 0.205 0.000 0.444 22 S N 2.123 117.982 115.700 0.265 0.000 2.537 22 S HA 0.128 4.882 4.470 0.217 -0.153 0.286 22 S C -0.013 174.689 174.600 0.170 0.000 1.299 22 S CA 1.333 59.651 58.200 0.197 0.000 1.067 22 S CB -0.242 63.030 63.200 0.120 0.000 0.864 22 S HN 0.734 9.184 8.310 0.233 0.000 0.494 23 V N -1.989 118.006 119.914 0.134 0.000 3.159 23 V HA 1.010 5.294 4.120 0.037 -0.142 0.308 23 V C -1.284 174.821 176.094 0.018 0.000 1.190 23 V CA -2.811 59.521 62.300 0.053 0.000 1.037 23 V CB 4.767 36.597 31.823 0.012 0.000 1.060 23 V HN 0.412 8.694 8.190 0.154 0.000 0.437 24 T N -2.463 112.069 114.554 -0.037 0.000 2.908 24 T HA 0.661 5.155 4.350 -0.017 -0.154 0.290 24 T C -1.167 173.450 174.700 -0.137 0.000 1.034 24 T CA -2.027 60.044 62.100 -0.049 0.000 1.010 24 T CB 3.256 72.110 68.868 -0.024 0.000 1.068 24 T HN 0.398 8.609 8.240 -0.048 0.000 0.481 25 R N 4.704 125.125 120.500 -0.133 0.000 2.513 25 R HA 0.395 4.625 4.340 -0.182 0.000 0.283 25 R C 0.156 176.425 176.300 -0.052 0.000 1.535 25 R CA -1.051 54.948 56.100 -0.170 0.000 1.315 25 R CB 1.056 31.157 30.300 -0.331 0.000 1.163 25 R HN 0.137 8.367 8.270 -0.066 0.000 0.573 26 G N 6.549 115.324 108.800 -0.042 0.000 2.591 26 G HA2 -0.358 3.592 3.960 -0.017 0.000 0.298 26 G HA3 -0.358 3.600 3.960 -0.004 0.000 0.298 26 G C -0.832 174.068 174.900 -0.001 0.000 1.195 26 G CA 1.006 46.098 45.100 -0.014 0.000 0.989 26 G HN 0.589 8.846 8.290 -0.055 0.000 0.551 27 A N 4.589 127.417 122.820 0.013 0.000 2.167 27 A HA 0.003 4.331 4.320 0.013 0.000 0.214 27 A C 0.318 177.922 177.584 0.033 0.000 1.151 27 A CA 0.842 52.890 52.037 0.018 0.000 0.735 27 A CB 0.408 19.418 19.000 0.018 0.000 0.802 27 A HN 0.230 8.389 8.150 0.016 0.000 0.467 28 T N 3.267 117.852 114.554 0.052 0.000 2.851 28 T HA -0.110 4.287 4.350 0.078 0.000 0.298 28 T C -0.969 173.790 174.700 0.099 0.000 0.977 28 T CA 1.325 63.481 62.100 0.093 0.000 1.126 28 T CB 0.625 69.599 68.868 0.177 0.000 0.916 28 T HN -0.568 7.654 8.240 0.048 0.048 0.529 29 K N 6.030 126.487 120.400 0.095 0.000 2.144 29 K HA 0.319 4.688 4.320 0.082 0.000 0.270 29 K C -0.454 176.242 176.600 0.159 0.000 1.005 29 K CA -0.050 56.294 56.287 0.096 0.000 0.932 29 K CB 1.738 34.275 32.500 0.063 0.000 1.021 29 K HN 0.539 8.835 8.250 0.077 0.000 0.462 30 G N -0.372 108.530 108.800 0.170 0.000 2.608 30 G HA2 0.775 4.902 3.960 0.081 0.000 0.291 30 G HA3 0.775 4.977 3.960 0.413 0.006 0.291 30 G C -3.072 171.948 174.900 0.200 0.000 1.425 30 G CA -0.031 45.193 45.100 0.207 0.000 0.787 30 G HN -0.062 8.312 8.290 0.140 0.000 0.484 31 F N -4.291 115.703 119.950 0.074 0.000 2.588 31 F HA 0.996 5.736 4.527 0.076 -0.167 0.310 31 F C -2.154 173.683 175.800 0.063 0.000 1.082 31 F CA -2.573 55.444 58.000 0.029 0.000 0.929 31 F CB 3.910 42.859 39.000 -0.085 0.000 1.254 31 F HN 0.004 8.102 8.300 -0.336 0.000 0.455 32 V N -3.704 116.432 119.914 0.370 0.000 2.785 32 V HA 0.720 5.141 4.120 0.262 -0.144 0.300 32 V C -0.748 175.562 176.094 0.360 0.000 1.062 32 V CA -1.974 60.519 62.300 0.322 0.000 1.029 32 V CB 0.853 32.875 31.823 0.332 0.000 1.024 32 V HN 0.145 8.569 8.190 0.389 0.000 0.477 33 T N 1.551 116.276 114.554 0.285 0.000 2.653 33 T HA 0.311 4.984 4.350 0.264 -0.165 0.306 33 T C -2.068 172.780 174.700 0.246 0.000 1.426 33 T CA -1.976 60.295 62.100 0.284 0.000 1.008 33 T CB 1.809 70.903 68.868 0.375 0.000 1.692 33 T HN 0.067 8.462 8.240 0.259 0.000 0.483 34 A N -0.832 122.098 122.820 0.184 0.000 2.354 34 A HA 0.415 4.983 4.320 0.162 -0.150 0.269 34 A C 0.919 178.540 177.584 0.061 0.000 1.109 34 A CA -1.277 50.809 52.037 0.081 0.000 0.800 34 A CB 0.869 19.794 19.000 -0.126 0.000 1.045 34 A HN 0.209 8.463 8.150 0.174 0.000 0.489 35 G N 1.938 110.807 108.800 0.115 0.000 2.422 35 G HA2 -0.291 3.841 3.960 0.227 0.000 0.218 35 G HA3 -0.291 3.867 3.960 0.265 -0.039 0.218 35 G C 0.993 175.828 174.900 -0.108 0.000 1.146 35 G CA 2.262 47.452 45.100 0.150 0.000 0.769 35 G HN 0.458 8.868 8.290 0.177 -0.013 0.547 36 H N -0.590 118.168 119.070 -0.520 0.000 2.559 36 H HA 0.102 4.089 4.556 -0.949 0.000 0.273 36 H C 1.051 176.138 175.328 -0.402 0.000 1.000 36 H CA 1.863 57.358 56.048 -0.921 0.000 1.195 36 H CB -0.773 28.024 29.762 -1.610 0.000 1.368 36 H HN -0.175 8.066 8.280 -0.514 -0.269 0.592 37 C N -1.365 117.642 119.300 -0.488 0.000 2.435 37 C HA -0.123 4.170 4.460 -0.279 0.000 0.279 37 C C 0.012 174.802 174.990 -0.334 0.000 1.321 37 C CA 1.435 60.297 59.018 -0.260 0.000 1.752 37 C CB 0.069 27.860 27.740 0.085 0.000 1.959 37 C HN -0.716 7.180 8.230 -0.460 0.059 0.500 38 G N -4.252 104.158 108.800 -0.649 0.000 2.673 38 G HA2 0.332 3.862 3.960 -0.717 0.000 0.292 38 G HA3 0.332 2.967 3.960 -2.207 0.000 0.292 38 G C -3.027 171.371 174.900 -0.836 0.000 1.450 38 G CA -0.674 43.729 45.100 -1.161 0.000 0.837 38 G HN -0.875 7.122 8.290 -0.488 0.000 0.505 39 T N -1.664 112.565 114.554 -0.542 0.000 2.927 39 T HA 0.087 4.337 4.350 -0.167 0.000 0.281 39 T C 0.069 174.654 174.700 -0.192 0.000 0.998 39 T CA -2.250 59.701 62.100 -0.248 0.000 1.019 39 T CB 1.911 70.703 68.868 -0.128 0.000 1.061 39 T HN -0.241 7.703 8.240 -0.494 0.000 0.518 40 V N 2.019 121.898 119.914 -0.058 0.000 2.617 40 V HA -0.640 3.610 4.120 0.019 -0.118 0.304 40 V C 0.424 176.503 176.094 -0.025 0.000 1.040 40 V CA 1.585 63.876 62.300 -0.015 0.000 1.149 40 V CB -1.018 30.800 31.823 -0.010 0.000 0.914 40 V HN 0.371 8.540 8.190 -0.034 0.000 0.487 41 N N 1.437 120.132 118.700 -0.008 0.000 2.980 41 N HA -0.363 4.358 4.740 -0.032 0.000 0.213 41 N C -0.762 174.753 175.510 0.008 0.000 0.892 41 N CA 1.422 54.463 53.050 -0.016 0.000 1.025 41 N CB -1.083 37.389 38.487 -0.025 0.000 1.030 41 N HN 0.587 8.969 8.380 0.003 0.000 0.585 42 A N 0.420 123.249 122.820 0.016 0.000 2.498 42 A HA -0.164 4.260 4.320 -0.003 -0.105 0.239 42 A C -0.787 176.889 177.584 0.152 0.000 1.068 42 A CA 0.827 52.878 52.037 0.022 0.000 0.766 42 A CB 0.911 19.819 19.000 -0.154 0.000 1.003 42 A HN -0.364 7.706 8.150 -0.013 0.073 0.497 43 T N 5.598 120.217 114.554 0.108 0.000 2.771 43 T HA 0.241 4.772 4.350 0.087 -0.129 0.291 43 T C -0.960 173.848 174.700 0.180 0.000 0.954 43 T CA 0.519 62.684 62.100 0.108 0.000 1.045 43 T CB 1.039 69.942 68.868 0.058 0.000 0.917 43 T HN 0.101 8.721 8.240 0.070 -0.338 0.484 44 A N 7.631 130.557 122.820 0.177 0.000 2.301 44 A HA 1.011 5.806 4.320 0.389 -0.241 0.312 44 A C -1.385 176.311 177.584 0.187 0.000 1.182 44 A CA -2.079 50.116 52.037 0.263 0.000 0.826 44 A CB 2.242 21.342 19.000 0.167 0.000 1.134 44 A HN 0.592 8.804 8.150 0.104 0.000 0.501 45 R N 1.385 122.019 120.500 0.224 0.000 2.686 45 R HA 0.971 5.561 4.340 0.116 -0.180 0.286 45 R C -1.334 175.066 176.300 0.166 0.000 0.969 45 R CA -1.382 54.807 56.100 0.147 0.000 0.898 45 R CB 4.177 34.537 30.300 0.100 0.000 1.183 45 R HN -0.038 8.403 8.270 0.285 0.000 0.456 46 I N 0.696 121.333 120.570 0.111 0.000 2.533 46 I HA 0.269 4.497 4.170 0.097 0.000 0.290 46 I C -0.054 176.095 176.117 0.053 0.000 1.056 46 I CA -0.969 60.383 61.300 0.087 0.000 1.057 46 I CB 3.023 41.063 38.000 0.067 0.000 1.240 46 I HN 0.207 8.471 8.210 0.090 0.000 0.423 47 G N 7.568 116.393 108.800 0.040 0.000 2.225 47 G HA2 -0.412 3.561 3.960 0.022 0.000 0.267 47 G HA3 -0.412 3.563 3.960 0.024 0.000 0.267 47 G C 0.644 175.560 174.900 0.026 0.000 1.024 47 G CA 0.517 45.633 45.100 0.027 0.000 0.784 47 G HN 0.765 9.079 8.290 0.041 0.000 0.507 48 G N -3.830 104.990 108.800 0.032 0.000 2.199 48 G HA2 -0.427 3.550 3.960 0.029 0.000 0.254 48 G HA3 -0.427 3.546 3.960 0.022 0.000 0.254 48 G C -1.371 173.547 174.900 0.030 0.000 0.982 48 G CA -0.347 44.770 45.100 0.028 0.000 0.632 48 G HN -0.054 8.230 8.290 0.039 0.030 0.529 49 A N -0.168 122.672 122.820 0.034 0.000 2.312 49 A HA 0.422 4.758 4.320 0.027 0.000 0.326 49 A C -1.059 176.550 177.584 0.042 0.000 1.172 49 A CA -1.607 50.449 52.037 0.032 0.000 0.821 49 A CB 1.990 21.005 19.000 0.026 0.000 1.166 49 A HN -0.624 7.394 8.150 0.036 0.154 0.493 50 V N 2.925 122.860 119.914 0.035 0.000 2.599 50 V HA -0.179 4.130 4.120 0.051 -0.158 0.300 50 V C 0.794 176.907 176.094 0.031 0.000 1.034 50 V CA 1.599 63.921 62.300 0.037 0.000 1.115 50 V CB -0.083 31.754 31.823 0.023 0.000 0.934 50 V HN 0.381 8.588 8.190 0.028 0.000 0.485 51 V N 0.006 119.943 119.914 0.038 0.000 3.612 51 V HA 0.526 4.660 4.120 0.022 0.000 0.268 51 V C -0.824 175.262 176.094 -0.014 0.000 1.365 51 V CA -1.084 61.233 62.300 0.028 0.000 1.044 51 V CB 1.823 33.684 31.823 0.065 0.000 0.820 51 V HN 0.407 8.627 8.190 0.051 0.000 0.444 52 G N -1.780 106.995 108.800 -0.042 0.000 2.325 52 G HA2 0.254 4.151 3.960 -0.105 0.000 0.295 52 G HA3 0.254 4.372 3.960 -0.180 -0.266 0.295 52 G C -3.108 171.713 174.900 -0.132 0.000 1.274 52 G CA 0.837 45.864 45.100 -0.121 0.000 0.857 52 G HN -0.789 7.491 8.290 -0.017 0.000 0.499 53 T N -2.765 111.656 114.554 -0.222 0.000 2.900 53 T HA 0.873 5.373 4.350 -0.043 -0.176 0.303 53 T C -1.194 173.319 174.700 -0.311 0.000 1.142 53 T CA -2.816 59.192 62.100 -0.154 0.000 1.007 53 T CB 3.437 72.244 68.868 -0.103 0.000 1.156 53 T HN 0.105 8.168 8.240 -0.295 0.000 0.490 54 F N 2.109 121.876 119.950 -0.305 0.000 2.541 54 F HA -0.108 4.248 4.527 -0.486 -0.121 0.378 54 F C 0.866 176.385 175.800 -0.468 0.000 1.068 54 F CA 1.776 59.545 58.000 -0.384 0.000 1.199 54 F CB 0.330 39.195 39.000 -0.226 0.000 1.091 54 F HN 0.186 8.665 8.300 0.298 0.000 0.555 55 A N 7.089 129.488 122.820 -0.701 0.000 1.943 55 A HA 0.025 4.032 4.320 -0.522 0.000 0.213 55 A C -1.079 176.223 177.584 -0.470 0.000 1.181 55 A CA 0.994 52.571 52.037 -0.767 0.000 0.653 55 A CB 1.067 19.111 19.000 -1.594 0.000 0.833 55 A HN 0.599 8.151 8.150 -0.997 0.000 0.451 56 A N -4.231 118.304 122.820 -0.475 0.000 2.599 56 A HA 0.248 4.523 4.320 -0.075 0.000 0.294 56 A C -3.166 174.369 177.584 -0.082 0.000 1.055 56 A CA -0.011 51.891 52.037 -0.226 0.000 0.683 56 A CB 1.976 20.786 19.000 -0.317 0.000 1.278 56 A HN -0.692 7.115 8.150 -0.572 0.000 0.412 57 R N -1.415 119.173 120.500 0.147 0.000 2.692 57 R HA 0.730 5.411 4.340 0.329 -0.144 0.269 57 R C -1.880 174.617 176.300 0.329 0.000 1.030 57 R CA -0.803 55.463 56.100 0.276 0.000 0.882 57 R CB 3.245 33.687 30.300 0.236 0.000 1.250 57 R HN 0.011 8.383 8.270 0.170 0.000 0.465 58 V N 1.941 122.068 119.914 0.355 0.000 2.443 58 V HA 0.314 4.583 4.120 0.248 0.000 0.293 58 V C -2.174 174.137 176.094 0.363 0.000 1.021 58 V CA -1.047 61.428 62.300 0.292 0.000 0.848 58 V CB 2.452 34.416 31.823 0.235 0.000 0.998 58 V HN 0.574 8.994 8.190 0.385 0.000 0.424 59 F N 7.476 127.512 119.950 0.143 0.000 2.652 59 F HA 0.709 5.553 4.527 0.157 -0.222 0.320 59 F C -2.139 173.729 175.800 0.114 0.000 1.115 59 F CA -2.423 55.666 58.000 0.147 0.000 1.053 59 F CB 2.731 41.834 39.000 0.171 0.000 1.297 59 F HN -0.064 8.405 8.300 0.282 0.000 0.471 60 P HA 0.428 4.334 4.420 -1.024 -0.100 0.337 60 P C -0.426 176.763 177.300 -0.184 0.000 1.340 60 P CA -0.271 62.355 63.100 -0.790 0.000 0.764 60 P CB 1.495 32.736 31.700 -0.767 0.000 1.718 61 G N -1.270 107.464 108.800 -0.111 0.000 4.655 61 G HA2 -0.555 3.424 3.960 -0.042 0.000 0.220 61 G HA3 -0.555 3.392 3.960 -0.021 0.000 0.220 61 G C -0.612 174.309 174.900 0.037 0.000 1.403 61 G CA 1.090 46.172 45.100 -0.029 0.000 0.931 61 G HN 0.399 8.606 8.290 -0.138 0.000 0.654 62 N N 3.375 122.135 118.700 0.100 0.000 2.813 62 N HA 0.270 5.096 4.740 0.144 0.000 0.320 62 N C -2.712 172.996 175.510 0.329 0.000 1.315 62 N CA -0.820 52.333 53.050 0.172 0.000 0.871 62 N CB 2.910 41.489 38.487 0.153 0.000 1.241 62 N HN -0.511 7.905 8.380 0.101 0.025 0.602 63 D N -0.098 120.516 120.400 0.358 0.000 2.621 63 D HA 0.390 5.496 4.640 0.603 -0.104 0.274 63 D C -2.350 174.147 176.300 0.329 0.000 1.215 63 D CA -0.334 53.945 54.000 0.465 0.000 0.810 63 D CB 0.549 41.664 40.800 0.525 0.000 1.248 63 D HN -0.017 8.830 8.370 0.286 -0.305 0.517 64 A N 1.641 124.660 122.820 0.331 0.000 2.475 64 A HA 0.800 5.302 4.320 0.302 0.000 0.301 64 A C -2.860 174.944 177.584 0.367 0.000 1.059 64 A CA -1.550 50.685 52.037 0.329 0.000 0.710 64 A CB 3.988 23.184 19.000 0.327 0.000 1.288 64 A HN 0.096 8.461 8.150 0.359 0.000 0.408 65 A N 0.075 123.105 122.820 0.350 0.000 2.601 65 A HA 0.811 5.429 4.320 0.282 -0.129 0.291 65 A C -2.808 174.906 177.584 0.217 0.000 1.075 65 A CA -0.299 51.908 52.037 0.284 0.000 0.671 65 A CB 3.541 22.742 19.000 0.335 0.000 1.277 65 A HN 0.060 8.408 8.150 0.331 0.000 0.417 66 W N -4.041 117.101 121.300 -0.264 0.000 3.032 66 W HA 0.849 5.427 4.660 -0.373 -0.142 0.335 66 W C -3.047 173.093 176.519 -0.632 0.000 1.154 66 W CA -2.767 54.340 57.345 -0.396 0.000 1.204 66 W CB 2.960 32.248 29.460 -0.287 0.000 1.416 66 W HN 0.075 8.184 8.180 -0.119 0.000 0.521 67 V N 2.969 122.313 119.914 -0.951 0.000 2.370 67 V HA 0.351 3.869 4.120 -1.240 -0.142 0.283 67 V C -0.885 174.657 176.094 -0.919 0.000 1.023 67 V CA -1.958 59.580 62.300 -1.269 0.000 0.857 67 V CB 0.874 31.573 31.823 -1.874 0.000 0.985 67 V HN 0.364 8.054 8.190 -0.833 0.000 0.443 68 S N 7.069 122.195 115.700 -0.958 0.000 2.523 68 S HA 0.285 4.658 4.470 -0.366 -0.123 0.275 68 S C -0.954 173.448 174.600 -0.330 0.000 1.281 68 S CA -0.277 57.563 58.200 -0.599 0.000 1.050 68 S CB 0.565 63.373 63.200 -0.653 0.000 0.937 68 S HN 0.098 7.787 8.310 -1.034 0.000 0.492 69 L N 5.519 126.654 121.223 -0.146 0.000 2.322 69 L HA 0.681 5.103 4.340 -0.119 -0.153 0.269 69 L C 0.389 177.234 176.870 -0.040 0.000 1.012 69 L CA -1.799 52.989 54.840 -0.087 0.000 0.815 69 L CB 3.070 45.120 42.059 -0.016 0.000 1.295 69 L HN 0.408 8.602 8.230 -0.060 0.000 0.438 70 T N -1.949 112.587 114.554 -0.029 0.000 2.856 70 T HA 0.066 4.406 4.350 -0.017 0.000 0.306 70 T C 1.464 176.165 174.700 0.002 0.000 1.062 70 T CA -0.647 61.445 62.100 -0.013 0.000 1.083 70 T CB 1.064 69.927 68.868 -0.010 0.000 0.984 70 T HN 0.060 8.283 8.240 -0.030 0.000 0.542 71 S N 1.738 117.441 115.700 0.005 0.000 2.474 71 S HA -0.273 4.205 4.470 0.014 0.000 0.235 71 S C 1.501 176.107 174.600 0.009 0.000 0.997 71 S CA 2.048 60.254 58.200 0.010 0.000 0.949 71 S CB -0.618 62.587 63.200 0.009 0.000 0.766 71 S HN 0.500 8.811 8.310 0.002 0.000 0.517 72 A N 0.956 123.781 122.820 0.007 0.000 2.119 72 A HA -0.040 4.283 4.320 0.006 0.000 0.217 72 A C 0.089 177.679 177.584 0.010 0.000 1.153 72 A CA 0.822 52.863 52.037 0.007 0.000 0.692 72 A CB -0.251 18.753 19.000 0.006 0.000 0.799 72 A HN -0.355 7.757 8.150 0.005 0.042 0.458 73 Q N -1.762 118.047 119.800 0.015 0.000 2.394 73 Q HA -0.006 4.346 4.340 0.019 0.000 0.248 73 Q C -0.418 175.593 176.000 0.018 0.000 0.992 73 Q CA -0.794 55.022 55.803 0.021 0.000 0.888 73 Q CB 0.574 29.333 28.738 0.035 0.000 1.257 73 Q HN -0.697 7.545 8.270 0.015 0.037 0.462 74 T N 3.997 118.558 114.554 0.013 0.000 2.821 74 T HA 0.214 4.566 4.350 0.004 0.000 0.307 74 T C -1.160 173.543 174.700 0.005 0.000 1.034 74 T CA -0.074 62.028 62.100 0.003 0.000 0.953 74 T CB 0.297 69.159 68.868 -0.010 0.000 0.968 74 T HN 0.177 8.424 8.240 0.012 0.000 0.462 75 L N 6.869 128.100 121.223 0.013 0.000 2.367 75 L HA -0.034 4.325 4.340 0.032 0.000 0.275 75 L C -0.640 176.229 176.870 -0.003 0.000 1.129 75 L CA 0.216 55.069 54.840 0.022 0.000 0.839 75 L CB 0.215 42.296 42.059 0.036 0.000 1.133 75 L HN 0.462 8.701 8.230 0.015 0.000 0.453 76 L N 2.406 123.625 121.223 -0.007 0.000 2.401 76 L HA 0.491 4.805 4.340 -0.043 0.000 0.266 76 L C -1.544 175.323 176.870 -0.005 0.000 0.991 76 L CA -3.310 51.508 54.840 -0.037 0.000 0.818 76 L CB 2.530 44.532 42.059 -0.095 0.000 1.321 76 L HN -0.430 7.803 8.230 0.005 0.000 0.413 77 P HA 0.263 4.834 4.420 0.060 -0.115 0.218 77 P C -1.535 175.788 177.300 0.038 0.000 1.793 77 P CA -0.587 62.529 63.100 0.027 0.000 0.941 77 P CB -1.683 30.021 31.700 0.006 0.000 1.919 78 R N -2.311 118.219 120.500 0.051 0.000 2.740 78 R HA 0.801 5.387 4.340 0.097 -0.187 0.273 78 R C -1.932 174.446 176.300 0.130 0.000 0.998 78 R CA -1.045 55.099 56.100 0.073 0.000 0.900 78 R CB 5.052 35.318 30.300 -0.057 0.000 1.223 78 R HN -0.321 7.927 8.270 0.054 0.054 0.466 79 V N 0.011 120.028 119.914 0.171 0.000 2.656 79 V HA 0.202 4.573 4.120 0.069 -0.209 0.307 79 V C -1.922 174.244 176.094 0.119 0.000 1.051 79 V CA -2.078 60.295 62.300 0.121 0.000 0.893 79 V CB 3.381 35.286 31.823 0.137 0.000 0.999 79 V HN 0.374 8.676 8.190 0.187 0.000 0.426 80 A N 6.771 129.626 122.820 0.058 0.000 2.488 80 A HA -0.015 4.477 4.320 -0.126 -0.248 0.249 80 A C -1.559 175.902 177.584 -0.205 0.000 1.083 80 A CA 0.394 52.387 52.037 -0.073 0.000 0.768 80 A CB 0.532 19.497 19.000 -0.059 0.000 1.017 80 A HN 0.390 8.565 8.150 0.042 0.000 0.496 81 N N 5.603 124.043 118.700 -0.434 0.000 2.664 81 N HA 0.125 4.475 4.740 -0.650 0.000 0.257 81 N C 0.021 175.277 175.510 -0.423 0.000 1.108 81 N CA -1.218 51.441 53.050 -0.652 0.000 0.822 81 N CB 1.653 39.528 38.487 -1.019 0.000 1.199 81 N HN -0.055 7.930 8.380 -0.492 0.100 0.529 82 G N 5.833 114.482 108.800 -0.253 0.000 2.591 82 G HA2 -0.467 3.407 3.960 -0.143 0.000 0.298 82 G HA3 -0.467 3.378 3.960 -0.191 0.000 0.298 82 G C 0.032 174.766 174.900 -0.278 0.000 1.195 82 G CA 1.865 46.843 45.100 -0.203 0.000 0.989 82 G HN 0.396 8.582 8.290 -0.174 0.000 0.551 83 S N 2.612 118.144 115.700 -0.280 0.000 2.605 83 S HA 0.117 4.389 4.470 -0.330 0.000 0.217 83 S C -0.081 174.192 174.600 -0.545 0.000 0.958 83 S CA 0.010 58.013 58.200 -0.328 0.000 0.919 83 S CB 0.581 63.670 63.200 -0.186 0.000 0.780 83 S HN 0.175 8.345 8.310 -0.233 0.000 0.507 84 S N 0.983 116.315 115.700 -0.614 0.000 2.748 84 S HA 0.320 4.401 4.470 -0.648 0.000 0.299 84 S C -1.934 172.010 174.600 -1.093 0.000 1.119 84 S CA -0.678 57.110 58.200 -0.687 0.000 0.997 84 S CB 1.251 64.251 63.200 -0.333 0.000 1.223 84 S HN -0.390 7.450 8.310 -0.506 0.166 0.541 85 F N -2.794 117.079 119.950 -0.128 0.000 2.601 85 F HA 0.706 5.335 4.527 -0.138 -0.185 0.309 85 F C -0.296 175.432 175.800 -0.119 0.000 1.089 85 F CA -1.011 56.918 58.000 -0.118 0.000 0.940 85 F CB 3.732 42.691 39.000 -0.067 0.000 1.273 85 F HN -0.079 8.150 8.300 -0.117 0.000 0.450 86 V N 2.886 122.844 119.914 0.072 0.000 2.394 86 V HA 0.242 4.388 4.120 0.044 0.000 0.282 86 V C -0.616 175.547 176.094 0.116 0.000 1.031 86 V CA -1.155 61.184 62.300 0.065 0.000 0.881 86 V CB 1.915 33.777 31.823 0.066 0.000 0.982 86 V HN 0.780 9.010 8.190 0.067 0.000 0.451 87 T N 9.286 123.892 114.554 0.087 0.000 2.832 87 T HA 0.101 4.648 4.350 0.068 -0.156 0.296 87 T C -0.669 174.076 174.700 0.074 0.000 0.968 87 T CA 0.418 62.559 62.100 0.068 0.000 1.107 87 T CB 0.626 69.517 68.868 0.039 0.000 0.916 87 T HN 0.297 8.581 8.240 0.072 0.000 0.517 88 V N 6.519 126.480 119.914 0.078 0.000 2.427 88 V HA -0.239 4.057 4.120 0.069 -0.134 0.268 88 V C -0.733 175.371 176.094 0.017 0.000 1.046 88 V CA 1.116 63.453 62.300 0.063 0.000 0.970 88 V CB 0.184 32.061 31.823 0.089 0.000 1.001 88 V HN 0.286 8.412 8.190 0.077 0.110 0.476 89 R N 7.713 128.215 120.500 0.002 0.000 2.344 89 R HA 0.329 4.667 4.340 -0.004 0.000 0.209 89 R C -0.617 175.668 176.300 -0.025 0.000 0.886 89 R CA -1.205 54.891 56.100 -0.006 0.000 1.040 89 R CB 1.708 32.011 30.300 0.004 0.000 1.114 89 R HN 0.711 8.879 8.270 0.002 0.103 0.547 90 G N -2.695 106.076 108.800 -0.048 0.000 2.325 90 G HA2 0.028 3.948 3.960 -0.066 0.000 0.295 90 G HA3 0.028 4.030 3.960 -0.045 -0.069 0.295 90 G C -2.857 171.981 174.900 -0.102 0.000 1.274 90 G CA 0.431 45.493 45.100 -0.063 0.000 0.857 90 G HN -0.845 7.410 8.290 -0.058 0.000 0.499 91 S N -1.081 114.566 115.700 -0.089 0.000 2.902 91 S HA 0.461 5.016 4.470 -0.135 -0.165 0.250 91 S C -0.258 174.314 174.600 -0.046 0.000 1.046 91 S CA -0.944 57.195 58.200 -0.102 0.000 1.069 91 S CB 1.146 64.275 63.200 -0.119 0.000 0.967 91 S HN 0.098 8.367 8.310 -0.067 0.000 0.530 92 T N 5.883 120.421 114.554 -0.026 0.000 2.829 92 T HA -0.270 4.078 4.350 -0.002 0.000 0.293 92 T C -0.502 174.209 174.700 0.017 0.000 0.970 92 T CA 2.355 64.454 62.100 -0.002 0.000 1.168 92 T CB 0.381 69.251 68.868 0.004 0.000 0.911 92 T HN -0.447 8.072 8.240 -0.029 -0.296 0.535 93 E N 7.086 127.304 120.200 0.030 0.000 2.324 93 E HA -0.263 4.296 4.350 0.079 -0.161 0.271 93 E C -0.885 175.755 176.600 0.066 0.000 1.028 93 E CA 0.168 56.605 56.400 0.062 0.000 0.890 93 E CB 0.553 30.291 29.700 0.063 0.000 1.004 93 E HN 0.163 8.537 8.360 0.024 0.000 0.431 94 A N 5.800 128.676 122.820 0.093 0.000 2.322 94 A HA 0.168 4.530 4.320 0.069 0.000 0.269 94 A C -1.154 176.483 177.584 0.089 0.000 1.094 94 A CA -0.224 51.867 52.037 0.090 0.000 0.807 94 A CB 1.565 20.630 19.000 0.109 0.000 1.047 94 A HN 0.328 8.884 8.150 0.116 -0.337 0.487 95 A N 0.658 123.519 122.820 0.068 0.000 2.271 95 A HA 0.262 4.610 4.320 0.048 0.000 0.288 95 A C -0.492 177.128 177.584 0.060 0.000 1.094 95 A CA -1.273 50.796 52.037 0.053 0.000 0.828 95 A CB 0.836 19.859 19.000 0.038 0.000 1.091 95 A HN 0.125 8.313 8.150 0.062 0.000 0.493 96 V N 0.902 120.841 119.914 0.043 0.000 2.644 96 V HA -0.674 3.476 4.120 0.050 0.000 0.305 96 V C 1.319 177.440 176.094 0.045 0.000 1.053 96 V CA 2.442 64.766 62.300 0.040 0.000 1.186 96 V CB -0.309 31.525 31.823 0.019 0.000 0.895 96 V HN 0.248 8.457 8.190 0.031 0.000 0.490 97 G N 7.012 115.845 108.800 0.055 0.000 2.254 97 G HA2 -0.337 3.653 3.960 0.049 0.000 0.225 97 G HA3 -0.337 3.649 3.960 0.043 0.000 0.225 97 G C -0.875 174.062 174.900 0.061 0.000 1.003 97 G CA -0.428 44.703 45.100 0.051 0.000 0.622 97 G HN 0.463 8.791 8.290 0.063 0.000 0.507 98 A N 1.803 124.668 122.820 0.074 0.000 2.407 98 A HA 0.092 4.451 4.320 0.065 0.000 0.248 98 A C -1.100 176.541 177.584 0.093 0.000 1.082 98 A CA -0.336 51.749 52.037 0.079 0.000 0.785 98 A CB 1.227 20.279 19.000 0.087 0.000 1.020 98 A HN -0.456 7.677 8.150 0.078 0.064 0.489 99 A N 0.992 123.859 122.820 0.078 0.000 2.445 99 A HA 0.333 4.874 4.320 0.079 -0.174 0.242 99 A C -0.415 177.226 177.584 0.094 0.000 1.075 99 A CA 0.010 52.093 52.037 0.076 0.000 0.777 99 A CB 0.610 19.642 19.000 0.054 0.000 1.013 99 A HN 0.256 8.446 8.150 0.067 0.000 0.493 100 V N 0.690 120.659 119.914 0.091 0.000 3.147 100 V HA 0.272 4.438 4.120 0.075 0.000 0.299 100 V C -2.567 173.496 176.094 -0.052 0.000 1.302 100 V CA -1.274 61.082 62.300 0.093 0.000 1.015 100 V CB 4.565 36.541 31.823 0.255 0.000 1.086 100 V HN -0.092 8.144 8.190 0.075 0.000 0.437 101 c N 4.454 122.946 118.600 -0.179 0.000 2.913 101 c HA 0.960 5.342 4.570 -0.551 -0.143 0.322 101 c C -1.770 171.897 174.090 -0.706 0.000 1.292 101 c CA -1.945 54.075 56.329 -0.514 0.000 1.649 101 c CB 4.129 46.237 42.510 -0.670 0.000 2.139 101 c HN 0.526 8.694 8.230 -0.103 0.000 0.475 102 R N -3.075 116.843 120.500 -0.970 0.000 2.774 102 R HA 0.909 4.970 4.340 -0.765 -0.180 0.272 102 R C -1.944 173.995 176.300 -0.603 0.000 1.000 102 R CA -1.392 54.132 56.100 -0.961 0.000 0.906 102 R CB 3.530 32.793 30.300 -1.729 0.000 1.227 102 R HN 0.859 8.523 8.270 -1.009 0.000 0.468 103 S N 0.114 115.615 115.700 -0.332 0.000 2.557 103 S HA 0.607 5.209 4.470 -0.072 -0.175 0.291 103 S C -1.377 173.158 174.600 -0.109 0.000 1.116 103 S CA -2.134 56.001 58.200 -0.109 0.000 0.992 103 S CB 2.678 65.901 63.200 0.039 0.000 1.028 103 S HN 0.051 8.160 8.310 -0.336 0.000 0.484 104 G N 2.547 111.305 108.800 -0.070 0.000 2.576 104 G HA2 0.430 4.478 3.960 -0.047 0.000 0.290 104 G HA3 0.430 4.465 3.960 -0.045 -0.102 0.290 104 G C -1.652 173.226 174.900 -0.037 0.000 1.442 104 G CA 0.235 45.305 45.100 -0.049 0.000 0.792 104 G HN -0.480 7.777 8.290 -0.056 0.000 0.491 105 R N -2.173 118.308 120.500 -0.032 0.000 2.307 105 R HA 0.022 4.344 4.340 -0.031 0.000 0.199 105 R C 0.672 176.955 176.300 -0.029 0.000 1.000 105 R CA 1.254 57.336 56.100 -0.032 0.000 1.023 105 R CB -0.212 30.067 30.300 -0.036 0.000 0.908 105 R HN 0.066 8.318 8.270 -0.031 0.000 0.473 106 T N 0.966 115.504 114.554 -0.026 0.000 3.044 106 T HA 0.115 4.452 4.350 -0.021 0.000 0.237 106 T C 1.175 175.862 174.700 -0.021 0.000 1.001 106 T CA 3.079 65.166 62.100 -0.021 0.000 1.160 106 T CB 0.498 69.357 68.868 -0.015 0.000 0.889 106 T HN 0.005 8.479 8.240 -0.025 -0.249 0.442 107 T N -2.460 112.078 114.554 -0.026 0.000 3.054 107 T HA 0.176 4.511 4.350 -0.025 0.000 0.255 107 T C 0.735 175.414 174.700 -0.036 0.000 1.035 107 T CA -1.023 61.059 62.100 -0.031 0.000 0.941 107 T CB 1.004 69.850 68.868 -0.037 0.000 1.026 107 T HN -0.577 8.032 8.240 -0.029 -0.386 0.533 108 G N 2.395 111.176 108.800 -0.032 0.000 2.527 108 G HA2 -0.433 3.616 3.960 -0.011 0.000 0.268 108 G HA3 -0.433 3.525 3.960 -0.002 0.000 0.268 108 G C -1.832 173.066 174.900 -0.002 0.000 1.175 108 G CA 0.096 45.189 45.100 -0.011 0.000 0.962 108 G HN -0.567 7.703 8.290 -0.033 0.000 0.560 109 Y N 4.639 124.869 120.300 -0.117 0.000 2.341 109 Y HA 0.548 5.227 4.550 -0.164 -0.227 0.340 109 Y C -0.848 174.973 175.900 -0.133 0.000 0.997 109 Y CA -0.872 57.146 58.100 -0.137 0.000 1.149 109 Y CB 1.021 39.408 38.460 -0.121 0.000 1.171 109 Y HN 0.074 8.431 8.280 0.128 0.000 0.494 110 Q N 5.858 125.353 119.800 -0.507 0.000 2.397 110 Q HA 0.329 4.524 4.340 -0.241 0.000 0.275 110 Q C -2.492 173.204 176.000 -0.507 0.000 1.090 110 Q CA -1.970 53.608 55.803 -0.375 0.000 0.809 110 Q CB 5.147 33.725 28.738 -0.266 0.000 1.362 110 Q HN 0.379 8.234 8.270 -0.692 0.000 0.431 111 c N -0.821 117.596 118.600 -0.304 0.000 2.667 111 c HA 0.990 5.497 4.570 -0.328 -0.134 0.323 111 c C 0.066 174.086 174.090 -0.118 0.000 1.214 111 c CA -1.069 55.114 56.329 -0.243 0.000 1.721 111 c CB 4.029 46.449 42.510 -0.151 0.000 2.275 111 c HN 0.513 8.620 8.230 -0.206 0.000 0.491 112 G N 1.955 110.722 108.800 -0.056 0.000 2.562 112 G HA2 0.442 4.412 3.960 0.016 0.000 0.190 112 G HA3 0.442 4.610 3.960 0.041 -0.183 0.190 112 G C -2.867 172.076 174.900 0.071 0.000 1.196 112 G CA 1.045 46.159 45.100 0.022 0.000 0.986 112 G HN 0.864 9.119 8.290 -0.058 0.000 0.512 113 T N 1.839 116.463 114.554 0.115 0.000 2.906 113 T HA 0.676 5.258 4.350 0.129 -0.155 0.295 113 T C -0.976 173.833 174.700 0.180 0.000 1.061 113 T CA -0.893 61.285 62.100 0.129 0.000 1.000 113 T CB 3.842 72.762 68.868 0.087 0.000 1.103 113 T HN 0.282 8.918 8.240 0.122 -0.322 0.486 114 I N 3.777 124.454 120.570 0.179 0.000 2.452 114 I HA -0.015 4.405 4.170 0.202 -0.129 0.287 114 I C 0.697 176.870 176.117 0.092 0.000 1.079 114 I CA 0.547 61.947 61.300 0.168 0.000 1.387 114 I CB -0.096 38.008 38.000 0.173 0.000 1.404 114 I HN 0.460 8.768 8.210 0.163 0.000 0.522 115 T N 6.188 120.780 114.554 0.063 0.000 2.990 115 T HA 0.127 4.500 4.350 0.040 0.000 0.249 115 T C -0.529 174.173 174.700 0.004 0.000 1.039 115 T CA -0.378 61.744 62.100 0.036 0.000 1.036 115 T CB 1.310 70.203 68.868 0.040 0.000 0.994 115 T HN 0.748 9.024 8.240 0.061 0.000 0.489 116 A N 0.986 123.791 122.820 -0.025 0.000 2.608 116 A HA 0.232 4.530 4.320 -0.036 0.000 0.292 116 A C -2.929 174.596 177.584 -0.099 0.000 1.066 116 A CA 0.188 52.194 52.037 -0.051 0.000 0.676 116 A CB 2.190 21.160 19.000 -0.050 0.000 1.277 116 A HN -0.723 7.406 8.150 -0.034 0.000 0.413 117 K N -0.641 119.703 120.400 -0.093 0.000 2.400 117 K HA 0.281 4.492 4.320 -0.182 0.000 0.246 117 K C -0.646 175.889 176.600 -0.108 0.000 0.995 117 K CA -1.598 54.614 56.287 -0.125 0.000 0.840 117 K CB 2.384 34.828 32.500 -0.093 0.000 1.293 117 K HN 0.145 8.353 8.250 -0.069 0.000 0.445 118 N N -1.300 117.328 118.700 -0.121 0.000 2.740 118 N HA -0.357 4.326 4.740 -0.096 0.000 0.248 118 N C -0.701 174.753 175.510 -0.094 0.000 1.062 118 N CA 0.748 53.742 53.050 -0.094 0.000 0.704 118 N CB -0.757 37.691 38.487 -0.066 0.000 0.968 118 N HN 0.375 8.669 8.380 -0.143 0.000 0.547 119 V N -0.914 118.928 119.914 -0.119 0.000 2.509 119 V HA 0.081 4.146 4.120 -0.092 0.000 0.284 119 V C -0.277 175.750 176.094 -0.111 0.000 1.047 119 V CA -0.767 61.468 62.300 -0.110 0.000 0.952 119 V CB 0.924 32.674 31.823 -0.122 0.000 0.988 119 V HN -0.062 8.040 8.190 -0.146 0.000 0.469 120 T N 9.195 123.686 114.554 -0.105 0.000 2.806 120 T HA 0.461 4.930 4.350 -0.128 -0.196 0.290 120 T C -0.830 173.769 174.700 -0.169 0.000 0.966 120 T CA 0.119 62.144 62.100 -0.126 0.000 1.060 120 T CB 0.885 69.690 68.868 -0.105 0.000 0.927 120 T HN 0.217 8.401 8.240 -0.094 0.000 0.485 121 A N 7.615 130.276 122.820 -0.265 0.000 2.304 121 A HA 0.429 4.566 4.320 -0.306 0.000 0.323 121 A C -2.175 175.090 177.584 -0.531 0.000 1.195 121 A CA -1.699 50.078 52.037 -0.435 0.000 0.826 121 A CB 2.351 20.941 19.000 -0.683 0.000 1.184 121 A HN 0.444 8.434 8.150 -0.268 0.000 0.496 122 N N 3.380 121.859 118.700 -0.368 0.000 2.439 122 N HA 0.139 4.732 4.740 -0.245 0.000 0.249 122 N C -1.121 174.283 175.510 -0.177 0.000 1.003 122 N CA -0.067 52.836 53.050 -0.245 0.000 0.942 122 N CB 1.030 39.449 38.487 -0.113 0.000 1.115 122 N HN 0.309 8.525 8.380 -0.273 0.000 0.505 123 Y N 4.287 124.593 120.300 0.010 0.000 2.519 123 Y HA 0.149 4.716 4.550 0.027 0.000 0.324 123 Y C 1.058 176.967 175.900 0.016 0.000 1.214 123 Y CA -1.763 56.357 58.100 0.032 0.000 1.260 123 Y CB 0.748 39.270 38.460 0.103 0.000 1.311 123 Y HN -0.025 8.196 8.280 -0.099 0.000 0.505 124 A N 1.163 124.110 122.820 0.212 0.000 1.986 124 A HA -0.203 4.167 4.320 0.084 0.000 0.220 124 A C 0.726 178.362 177.584 0.086 0.000 1.171 124 A CA 2.860 54.963 52.037 0.111 0.000 0.640 124 A CB -0.772 18.278 19.000 0.085 0.000 0.811 124 A HN 0.602 8.888 8.150 0.227 0.000 0.451 125 E N -3.626 116.641 120.200 0.112 0.000 2.371 125 E HA -0.017 4.349 4.350 0.026 0.000 0.194 125 E C -0.166 176.394 176.600 -0.067 0.000 1.012 125 E CA 0.138 56.550 56.400 0.021 0.000 0.860 125 E CB 0.203 29.910 29.700 0.010 0.000 0.811 125 E HN 0.281 8.728 8.360 0.187 0.024 0.502 126 G N -2.323 106.454 108.800 -0.039 0.000 2.369 126 G HA2 -0.186 3.740 3.960 -0.058 0.000 0.307 126 G HA3 -0.186 3.703 3.960 -0.119 0.000 0.307 126 G C -2.364 172.480 174.900 -0.092 0.000 1.327 126 G CA -0.900 44.151 45.100 -0.081 0.000 0.963 126 G HN -0.783 7.363 8.290 0.028 0.161 0.590 127 A N -0.734 122.020 122.820 -0.110 0.000 2.407 127 A HA 0.524 4.909 4.320 -0.182 -0.174 0.248 127 A C -0.666 176.840 177.584 -0.131 0.000 1.082 127 A CA -0.177 51.778 52.037 -0.138 0.000 0.785 127 A CB 1.401 20.336 19.000 -0.108 0.000 1.020 127 A HN 0.136 8.228 8.150 -0.097 0.000 0.489 128 V N 2.408 122.229 119.914 -0.155 0.000 2.444 128 V HA 0.195 4.455 4.120 -0.019 -0.151 0.294 128 V C -1.220 174.829 176.094 -0.075 0.000 1.022 128 V CA -1.077 61.193 62.300 -0.050 0.000 0.850 128 V CB 1.666 33.558 31.823 0.116 0.000 0.992 128 V HN 0.386 8.425 8.190 -0.250 0.000 0.426 129 R N 5.985 126.461 120.500 -0.040 0.000 2.758 129 R HA 0.287 4.583 4.340 -0.074 0.000 0.265 129 R C 0.257 176.533 176.300 -0.041 0.000 1.016 129 R CA -2.087 53.982 56.100 -0.052 0.000 1.040 129 R CB 1.939 32.212 30.300 -0.046 0.000 1.152 129 R HN 0.322 8.581 8.270 -0.018 0.000 0.503 130 G N -1.344 107.419 108.800 -0.061 0.000 2.148 130 G HA2 -0.385 3.748 3.960 -0.071 0.000 0.254 130 G HA3 -0.385 3.547 3.960 -0.047 0.000 0.254 130 G C -0.512 174.324 174.900 -0.106 0.000 0.981 130 G CA 0.190 45.250 45.100 -0.067 0.000 0.670 130 G HN 0.425 8.673 8.290 -0.070 0.000 0.528 131 L N -0.786 120.358 121.223 -0.132 0.000 2.417 131 L HA 0.079 4.394 4.340 -0.221 -0.108 0.268 131 L C -0.073 176.581 176.870 -0.360 0.000 1.158 131 L CA -0.074 54.634 54.840 -0.220 0.000 0.819 131 L CB 0.493 42.455 42.059 -0.162 0.000 1.112 131 L HN -0.581 7.546 8.230 -0.114 0.034 0.458 132 T N 3.746 117.883 114.554 -0.695 0.000 2.837 132 T HA 0.236 4.382 4.350 -0.520 -0.108 0.285 132 T C -1.717 172.495 174.700 -0.813 0.000 0.984 132 T CA 0.347 61.936 62.100 -0.852 0.000 1.049 132 T CB 1.108 69.187 68.868 -1.315 0.000 0.947 132 T HN 0.258 7.969 8.240 -0.882 0.000 0.472 133 Q N 7.472 127.023 119.800 -0.414 0.000 2.271 133 Q HA 0.575 4.945 4.340 -0.236 -0.171 0.258 133 Q C -1.280 174.681 176.000 -0.066 0.000 0.936 133 Q CA -1.728 53.945 55.803 -0.216 0.000 0.909 133 Q CB 3.327 32.000 28.738 -0.108 0.000 1.253 133 Q HN 0.423 8.501 8.270 -0.319 0.000 0.440 134 G N 3.053 111.901 108.800 0.080 0.000 2.818 134 G HA2 0.687 4.912 3.960 0.216 0.000 0.286 134 G HA3 0.687 4.945 3.960 0.496 0.000 0.286 134 G C -2.358 172.710 174.900 0.280 0.000 1.364 134 G CA -1.484 43.788 45.100 0.287 0.000 0.938 134 G HN 0.770 9.102 8.290 0.070 0.000 0.490 135 N N -3.833 115.013 118.700 0.242 0.000 2.235 135 N HA 0.161 5.000 4.740 0.166 0.000 0.231 135 N C -0.566 175.021 175.510 0.127 0.000 1.177 135 N CA -2.239 50.909 53.050 0.163 0.000 0.874 135 N CB 0.490 39.038 38.487 0.102 0.000 1.097 135 N HN -0.167 8.355 8.380 0.237 0.000 0.518 136 A N -0.434 122.471 122.820 0.142 0.000 2.498 136 A HA -0.055 4.380 4.320 -0.037 -0.137 0.239 136 A C -0.031 177.569 177.584 0.026 0.000 1.068 136 A CA 0.534 52.564 52.037 -0.011 0.000 0.766 136 A CB 0.683 19.538 19.000 -0.241 0.000 1.003 136 A HN -0.160 8.126 8.150 0.226 0.000 0.497 137 C N -1.107 118.180 119.300 -0.021 0.000 2.563 137 C HA 0.476 5.113 4.460 0.052 -0.146 0.358 137 C C -0.835 174.149 174.990 -0.010 0.000 1.336 137 C CA -2.369 56.655 59.018 0.010 0.000 2.454 137 C CB 0.728 28.467 27.740 -0.002 0.000 2.448 137 C HN 0.038 8.239 8.230 -0.050 0.000 0.670 138 M N -5.429 114.189 119.600 0.030 0.000 3.012 138 M HA 0.574 5.146 4.480 -0.007 -0.096 0.272 138 M C -1.752 174.572 176.300 0.041 0.000 1.187 138 M CA -0.730 54.591 55.300 0.034 0.000 0.813 138 M CB 3.096 35.764 32.600 0.112 0.000 1.626 138 M HN 0.493 9.086 8.290 0.045 -0.276 0.507 139 G N -3.146 105.676 108.800 0.037 0.000 2.708 139 G HA2 0.674 4.745 3.960 0.035 0.000 0.289 139 G HA3 0.674 4.643 3.960 0.017 0.001 0.289 139 G C -1.864 173.054 174.900 0.031 0.000 1.416 139 G CA -0.749 44.369 45.100 0.030 0.000 0.829 139 G HN 0.065 8.664 8.290 0.034 -0.287 0.480 140 R N 0.781 121.293 120.500 0.020 0.000 2.537 140 R HA -0.273 4.078 4.340 0.019 0.000 0.281 140 R C 0.501 176.804 176.300 0.005 0.000 0.988 140 R CA 2.027 58.134 56.100 0.012 0.000 1.077 140 R CB 0.113 30.413 30.300 -0.001 0.000 0.932 140 R HN -0.098 8.182 8.270 0.016 0.000 0.409 141 G N 4.431 113.235 108.800 0.007 0.000 2.254 141 G HA2 -0.346 3.595 3.960 -0.032 0.000 0.225 141 G HA3 -0.346 3.599 3.960 -0.025 0.000 0.225 141 G C 0.353 175.248 174.900 -0.007 0.000 1.003 141 G CA 0.590 45.681 45.100 -0.016 0.000 0.622 141 G HN 0.632 8.935 8.290 0.020 0.000 0.507 142 D N 0.628 121.042 120.400 0.022 0.000 2.347 142 D HA -0.028 4.617 4.640 0.008 0.000 0.215 142 D C 0.211 176.558 176.300 0.078 0.000 0.976 142 D CA 1.313 55.333 54.000 0.033 0.000 0.884 142 D CB -0.129 40.694 40.800 0.038 0.000 0.915 142 D HN -0.176 8.145 8.370 0.030 0.067 0.526 143 S N -2.013 113.746 115.700 0.097 0.000 2.561 143 S HA -0.429 4.280 4.470 0.196 -0.121 0.294 143 S C 1.217 175.863 174.600 0.077 0.000 1.294 143 S CA 2.650 60.928 58.200 0.129 0.000 1.055 143 S CB -0.262 63.037 63.200 0.164 0.000 0.819 143 S HN -0.444 7.871 8.310 0.087 0.048 0.503 144 G N 4.122 112.990 108.800 0.114 0.000 2.253 144 G HA2 -0.432 3.707 3.960 0.157 0.000 0.251 144 G HA3 -0.432 3.726 3.960 0.177 -0.092 0.251 144 G C -0.249 174.731 174.900 0.134 0.000 0.998 144 G CA 0.321 45.510 45.100 0.149 0.000 0.621 144 G HN 0.697 8.971 8.290 0.151 0.107 0.524 145 G N 0.527 109.390 108.800 0.104 0.000 2.569 145 G HA2 0.112 4.260 3.960 -0.061 0.000 0.249 145 G HA3 0.112 4.220 3.960 -0.008 -0.153 0.249 145 G C -0.952 173.940 174.900 -0.013 0.000 1.216 145 G CA -1.050 44.051 45.100 0.002 0.000 0.845 145 G HN -0.458 7.828 8.290 0.123 0.078 0.568 146 S N 2.383 117.938 115.700 -0.241 0.000 2.552 146 S HA -0.269 3.860 4.470 -0.569 0.000 0.289 146 S C -0.519 174.046 174.600 -0.058 0.000 1.304 146 S CA 1.300 59.279 58.200 -0.368 0.000 1.063 146 S CB 0.622 63.505 63.200 -0.529 0.000 0.848 146 S HN -0.104 8.035 8.310 -0.285 0.000 0.499 147 W N 4.399 125.656 121.300 -0.070 0.000 2.475 147 W HA 0.565 5.505 4.660 -0.166 -0.379 0.317 147 W C -1.006 175.511 176.519 -0.004 0.000 1.046 147 W CA -1.041 56.196 57.345 -0.180 0.000 1.215 147 W CB 2.161 31.230 29.460 -0.652 0.000 1.335 147 W HN 0.365 8.806 8.180 0.434 0.000 0.471 148 I N 4.636 125.296 120.570 0.150 0.000 2.775 148 I HA 0.720 5.152 4.170 0.169 -0.160 0.295 148 I C -1.909 174.270 176.117 0.104 0.000 1.287 148 I CA -1.935 59.471 61.300 0.178 0.000 1.029 148 I CB 4.933 43.103 38.000 0.283 0.000 1.282 148 I HN 0.884 9.112 8.210 0.029 0.000 0.426 149 T N 3.336 117.948 114.554 0.097 0.000 2.828 149 T HA 0.366 4.763 4.350 0.079 0.000 0.290 149 T C 1.614 176.375 174.700 0.102 0.000 1.019 149 T CA -1.717 60.435 62.100 0.086 0.000 1.031 149 T CB 1.052 69.965 68.868 0.074 0.000 1.001 149 T HN 0.055 8.349 8.240 0.089 0.000 0.531 150 S N 2.026 117.784 115.700 0.096 0.000 2.442 150 S HA -0.262 4.294 4.470 0.144 0.000 0.236 150 S C 0.389 175.036 174.600 0.078 0.000 1.007 150 S CA 2.191 60.455 58.200 0.107 0.000 0.965 150 S CB -0.128 63.128 63.200 0.093 0.000 0.773 150 S HN 0.458 8.818 8.310 0.083 0.000 0.504 151 A N -1.320 121.538 122.820 0.064 0.000 2.251 151 A HA 0.184 4.531 4.320 0.045 0.000 0.209 151 A C 0.320 177.932 177.584 0.047 0.000 1.187 151 A CA -0.236 51.830 52.037 0.049 0.000 0.823 151 A CB -0.352 18.671 19.000 0.039 0.000 0.846 151 A HN -0.230 7.928 8.150 0.064 0.030 0.486 152 G N -2.910 105.928 108.800 0.062 0.000 2.141 152 G HA2 -0.312 3.747 3.960 0.084 0.000 0.231 152 G HA3 -0.312 3.746 3.960 0.049 -0.069 0.231 152 G C -0.736 174.185 174.900 0.035 0.000 0.984 152 G CA -0.135 45.001 45.100 0.061 0.000 0.660 152 G HN -0.301 7.863 8.290 0.076 0.171 0.525 153 Q N 1.195 121.013 119.800 0.030 0.000 2.349 153 Q HA 0.154 4.637 4.340 -0.032 -0.162 0.254 153 Q C -0.826 175.161 176.000 -0.021 0.000 0.980 153 Q CA -2.122 53.677 55.803 -0.006 0.000 0.924 153 Q CB -0.007 28.735 28.738 0.007 0.000 1.209 153 Q HN -0.502 7.794 8.270 0.043 0.000 0.445 154 A N 7.351 130.088 122.820 -0.139 0.000 2.492 154 A HA -0.078 4.177 4.320 -0.107 0.000 0.254 154 A C -0.468 177.012 177.584 -0.174 0.000 1.091 154 A CA 0.492 52.345 52.037 -0.308 0.000 0.768 154 A CB 0.503 18.873 19.000 -1.050 0.000 1.028 154 A HN 0.547 8.589 8.150 -0.179 0.000 0.498 155 Q N 3.144 122.927 119.800 -0.028 0.000 2.390 155 Q HA 0.155 4.514 4.340 0.033 0.000 0.216 155 Q C 0.509 176.532 176.000 0.039 0.000 0.916 155 Q CA 0.167 55.956 55.803 -0.022 0.000 0.911 155 Q CB 2.340 30.967 28.738 -0.184 0.000 1.035 155 Q HN 0.499 8.813 8.270 0.074 0.000 0.541 156 G N -4.504 104.352 108.800 0.093 0.000 2.323 156 G HA2 0.297 4.512 3.960 0.319 0.000 0.291 156 G HA3 0.297 4.537 3.960 0.304 -0.097 0.291 156 G C -3.443 171.671 174.900 0.357 0.000 1.278 156 G CA 0.618 45.870 45.100 0.253 0.000 0.860 156 G HN -0.738 7.686 8.290 0.222 0.000 0.504 157 V N -5.947 114.172 119.914 0.342 0.000 2.735 157 V HA 0.901 5.428 4.120 0.352 -0.196 0.310 157 V C -1.534 174.763 176.094 0.338 0.000 1.061 157 V CA -3.458 59.044 62.300 0.336 0.000 0.913 157 V CB 3.927 35.923 31.823 0.288 0.000 1.005 157 V HN 0.368 8.767 8.190 0.349 0.000 0.428 158 M N 4.749 124.607 119.600 0.429 0.000 2.303 158 M HA -0.125 4.683 4.480 0.547 0.000 0.350 158 M C -0.860 175.638 176.300 0.331 0.000 1.518 158 M CA 0.756 56.340 55.300 0.474 0.000 1.070 158 M CB -0.010 32.878 32.600 0.479 0.000 1.910 158 M HN 0.128 8.673 8.290 0.425 0.000 0.458 159 S N 8.010 123.897 115.700 0.312 0.000 2.517 159 S HA 0.300 5.082 4.470 0.377 -0.086 0.228 159 S C -0.086 174.676 174.600 0.271 0.000 1.060 159 S CA -0.336 58.064 58.200 0.333 0.000 0.937 159 S CB 1.017 64.421 63.200 0.339 0.000 0.840 159 S HN 0.545 9.027 8.310 0.287 0.000 0.546 160 G N -2.097 106.867 108.800 0.273 0.000 2.495 160 G HA2 0.143 4.180 3.960 0.129 0.000 0.294 160 G HA3 0.143 4.270 3.960 0.280 0.000 0.294 160 G C -3.027 172.011 174.900 0.230 0.000 1.397 160 G CA 0.172 45.404 45.100 0.221 0.000 0.790 160 G HN -0.633 7.823 8.290 0.276 0.000 0.486 161 G N -4.637 104.278 108.800 0.192 0.000 2.523 161 G HA2 0.228 4.422 3.960 0.155 0.000 0.291 161 G HA3 0.228 4.268 3.960 0.164 0.018 0.291 161 G C -1.555 173.418 174.900 0.122 0.000 1.450 161 G CA 0.119 45.314 45.100 0.159 0.000 0.790 161 G HN -0.267 8.130 8.290 0.178 0.000 0.496 162 N N 1.216 119.975 118.700 0.098 0.000 3.178 162 N HA -0.044 4.741 4.740 0.075 0.000 0.300 162 N C 0.136 175.682 175.510 0.062 0.000 1.242 162 N CA -0.763 52.331 53.050 0.073 0.000 1.192 162 N CB -1.632 36.890 38.487 0.058 0.000 1.463 162 N HN -0.065 8.373 8.380 0.098 0.000 0.539 163 V N -3.464 116.486 119.914 0.060 0.000 2.843 163 V HA -0.185 4.073 4.120 0.046 -0.111 0.305 163 V C -0.073 176.042 176.094 0.035 0.000 1.065 163 V CA 0.036 62.363 62.300 0.045 0.000 1.116 163 V CB 0.312 32.159 31.823 0.039 0.000 0.968 163 V HN -0.479 7.704 8.190 0.066 0.047 0.487 164 Q N 4.367 124.184 119.800 0.028 0.000 2.239 164 Q HA 0.233 4.587 4.340 0.022 0.000 0.193 164 Q C 1.720 177.730 176.000 0.017 0.000 1.004 164 Q CA -1.505 54.311 55.803 0.022 0.000 1.040 164 Q CB 1.169 29.919 28.738 0.019 0.000 1.149 164 Q HN 0.256 8.438 8.270 0.027 0.105 0.535 165 S N 0.294 116.002 115.700 0.013 0.000 2.442 165 S HA -0.219 4.257 4.470 0.010 0.000 0.236 165 S C 0.526 175.131 174.600 0.008 0.000 1.007 165 S CA 2.850 61.056 58.200 0.010 0.000 0.965 165 S CB -0.616 62.589 63.200 0.008 0.000 0.773 165 S HN 0.516 8.834 8.310 0.013 0.000 0.504 166 N N -1.025 117.680 118.700 0.008 0.000 2.449 166 N HA -0.057 4.686 4.740 0.004 0.000 0.191 166 N C 1.115 176.629 175.510 0.006 0.000 1.161 166 N CA -0.479 52.574 53.050 0.006 0.000 0.863 166 N CB -1.112 37.378 38.487 0.005 0.000 0.980 166 N HN -0.209 8.150 8.380 0.010 0.027 0.458 167 G N -0.577 108.229 108.800 0.009 0.000 2.176 167 G HA2 -0.378 3.588 3.960 0.010 0.000 0.253 167 G HA3 -0.378 3.585 3.960 0.005 0.000 0.253 167 G C -1.899 173.009 174.900 0.014 0.000 0.979 167 G CA 0.841 45.946 45.100 0.009 0.000 0.641 167 G HN 0.375 8.506 8.290 0.011 0.165 0.530 168 N N -2.614 116.096 118.700 0.017 0.000 2.972 168 N HA 0.518 5.368 4.740 0.029 -0.093 0.262 168 N C -1.686 173.841 175.510 0.028 0.000 1.478 168 N CA -1.224 51.840 53.050 0.023 0.000 0.841 168 N CB 3.013 41.508 38.487 0.014 0.000 1.512 168 N HN -0.528 8.067 8.380 0.016 -0.206 0.548 169 N N -3.451 115.269 118.700 0.034 0.000 2.282 169 N HA 0.426 5.185 4.740 0.031 0.000 0.240 169 N C -0.166 175.361 175.510 0.027 0.000 1.182 169 N CA -1.636 51.436 53.050 0.036 0.000 0.874 169 N CB -1.189 37.329 38.487 0.052 0.000 1.126 169 N HN -0.115 8.288 8.380 0.038 0.000 0.516 170 C N -0.940 118.370 119.300 0.017 0.000 2.435 170 C HA -0.126 4.338 4.460 0.006 0.000 0.279 170 C C 1.917 176.912 174.990 0.009 0.000 1.321 170 C CA 3.367 62.389 59.018 0.008 0.000 1.752 170 C CB -1.237 26.503 27.740 -0.001 0.000 1.959 170 C HN -0.128 8.314 8.230 0.015 -0.203 0.500 171 G N -1.619 107.187 108.800 0.011 0.000 3.088 171 G HA2 -0.023 3.941 3.960 0.007 0.000 0.212 171 G HA3 -0.023 3.942 3.960 0.009 0.000 0.212 171 G C -1.095 173.812 174.900 0.012 0.000 1.173 171 G CA 0.057 45.163 45.100 0.009 0.000 0.779 171 G HN -0.103 8.166 8.290 0.012 0.029 0.540 172 I N -4.726 115.854 120.570 0.016 0.000 2.846 172 I HA 0.532 4.711 4.170 0.015 0.000 0.307 172 I C -2.967 173.162 176.117 0.018 0.000 1.053 172 I CA -3.758 57.552 61.300 0.017 0.000 1.050 172 I CB 1.189 39.201 38.000 0.021 0.000 1.239 172 I HN -0.758 7.355 8.210 0.018 0.108 0.439 173 P HA 0.134 4.563 4.420 0.016 0.000 0.269 173 P C 0.053 177.368 177.300 0.025 0.000 1.215 173 P CA -0.103 63.008 63.100 0.018 0.000 0.780 173 P CB 0.464 32.174 31.700 0.017 0.000 0.898 174 A N 3.247 126.082 122.820 0.025 0.000 1.948 174 A HA -0.290 4.053 4.320 0.039 0.000 0.220 174 A C 2.006 179.613 177.584 0.038 0.000 1.177 174 A CA 3.101 55.158 52.037 0.034 0.000 0.636 174 A CB -0.561 18.458 19.000 0.032 0.000 0.815 174 A HN 0.441 8.605 8.150 0.022 0.000 0.449 175 S N -2.564 113.154 115.700 0.030 0.000 2.469 175 S HA -0.230 4.258 4.470 0.031 0.000 0.238 175 S C 0.790 175.407 174.600 0.028 0.000 0.998 175 S CA 2.231 60.448 58.200 0.028 0.000 0.957 175 S CB -1.118 62.096 63.200 0.022 0.000 0.764 175 S HN 0.205 8.516 8.310 0.026 0.015 0.514 176 Q N -1.448 118.369 119.800 0.029 0.000 2.282 176 Q HA 0.056 4.411 4.340 0.026 0.000 0.206 176 Q C -0.713 175.309 176.000 0.037 0.000 0.878 176 Q CA -0.183 55.637 55.803 0.029 0.000 0.944 176 Q CB 1.072 29.824 28.738 0.024 0.000 1.100 176 Q HN -0.521 7.605 8.270 0.030 0.162 0.509 177 R N -0.139 120.389 120.500 0.047 0.000 2.349 177 R HA 0.021 4.531 4.340 0.060 -0.133 0.299 177 R C -0.699 175.644 176.300 0.072 0.000 1.027 177 R CA -0.244 55.894 56.100 0.064 0.000 0.958 177 R CB 1.216 31.561 30.300 0.076 0.000 1.047 177 R HN -0.718 7.475 8.270 0.047 0.105 0.468 178 S N 3.593 119.340 115.700 0.078 0.000 2.733 178 S HA 0.260 4.775 4.470 0.074 0.000 0.307 178 S C -1.655 173.014 174.600 0.116 0.000 1.127 178 S CA -1.237 57.010 58.200 0.077 0.000 1.097 178 S CB 1.459 64.687 63.200 0.046 0.000 1.003 178 S HN 0.549 9.251 8.310 0.077 -0.346 0.477 179 S N 8.416 124.216 115.700 0.165 0.000 2.596 179 S HA 0.477 5.205 4.470 0.240 -0.114 0.318 179 S C -1.730 172.959 174.600 0.148 0.000 1.097 179 S CA -0.829 57.530 58.200 0.266 0.000 1.080 179 S CB 1.452 64.931 63.200 0.466 0.000 0.991 179 S HN 0.245 8.654 8.310 0.165 0.000 0.471 180 L N 4.948 126.225 121.223 0.090 0.000 2.341 180 L HA 0.863 5.251 4.340 -0.252 -0.199 0.278 180 L C -1.330 175.471 176.870 -0.116 0.000 1.005 180 L CA -1.165 53.617 54.840 -0.098 0.000 0.818 180 L CB 2.064 44.115 42.059 -0.013 0.000 1.259 180 L HN 0.789 9.122 8.230 0.173 0.000 0.418 181 F N 0.339 120.009 119.950 -0.467 0.000 2.522 181 F HA 0.775 5.254 4.527 -0.248 -0.101 0.324 181 F C -2.223 173.468 175.800 -0.181 0.000 1.077 181 F CA -3.325 54.409 58.000 -0.444 0.000 0.944 181 F CB 2.942 41.307 39.000 -1.058 0.000 1.175 181 F HN 0.793 8.620 8.300 -0.789 0.000 0.468 182 Q N 1.652 121.564 119.800 0.186 0.000 2.296 182 Q HA 0.224 4.618 4.340 0.090 0.000 0.262 182 Q C -0.009 176.168 176.000 0.294 0.000 0.981 182 Q CA -1.293 54.620 55.803 0.182 0.000 0.905 182 Q CB 1.535 30.408 28.738 0.225 0.000 1.186 182 Q HN 0.134 8.546 8.270 0.237 0.000 0.399 183 R N 5.904 126.522 120.500 0.196 0.000 2.640 183 R HA -0.258 4.455 4.340 0.382 -0.144 0.270 183 R C 0.811 177.233 176.300 0.202 0.000 1.024 183 R CA 1.168 57.410 56.100 0.237 0.000 1.085 183 R CB 0.136 30.504 30.300 0.113 0.000 0.963 183 R HN 0.535 8.861 8.270 0.092 0.000 0.426 184 L N 4.040 125.377 121.223 0.190 0.000 2.072 184 L HA -0.176 4.272 4.340 0.180 0.000 0.205 184 L C 1.274 178.187 176.870 0.071 0.000 1.079 184 L CA 2.549 57.469 54.840 0.134 0.000 0.752 184 L CB 0.322 42.412 42.059 0.051 0.000 0.906 184 L HN -0.047 8.304 8.230 0.202 0.000 0.436 185 Q N -1.824 118.004 119.800 0.046 0.000 2.061 185 Q HA -0.263 4.074 4.340 -0.005 0.000 0.204 185 Q C -0.889 175.112 176.000 0.003 0.000 0.984 185 Q CA 5.465 61.275 55.803 0.012 0.000 0.846 185 Q CB -2.195 26.547 28.738 0.008 0.000 0.902 185 Q HN 0.549 8.855 8.270 0.059 0.000 0.421 186 P HA -0.013 4.386 4.420 -0.035 0.000 0.221 186 P C 1.308 178.586 177.300 -0.037 0.000 1.150 186 P CA 2.441 65.531 63.100 -0.016 0.000 0.800 186 P CB -0.275 31.425 31.700 -0.000 0.000 0.787 187 I N -1.589 118.999 120.570 0.030 0.000 2.252 187 I HA -0.482 3.709 4.170 0.034 0.000 0.245 187 I C 1.815 177.944 176.117 0.020 0.000 1.102 187 I CA 3.546 64.889 61.300 0.072 0.000 1.385 187 I CB -0.401 37.721 38.000 0.204 0.000 1.064 187 I HN -0.710 7.436 8.210 0.064 0.102 0.414 188 L N -1.303 119.921 121.223 0.002 0.000 2.017 188 L HA -0.476 3.836 4.340 -0.047 0.000 0.208 188 L C 2.508 179.330 176.870 -0.080 0.000 1.073 188 L CA 3.585 58.400 54.840 -0.042 0.000 0.745 188 L CB -0.595 41.438 42.059 -0.043 0.000 0.894 188 L HN -0.428 7.811 8.230 0.014 0.000 0.432 189 S N -1.419 114.231 115.700 -0.082 0.000 2.387 189 S HA -0.216 4.205 4.470 -0.081 0.000 0.226 189 S C 2.570 177.084 174.600 -0.144 0.000 1.026 189 S CA 2.744 60.888 58.200 -0.093 0.000 0.972 189 S CB -0.764 62.393 63.200 -0.071 0.000 0.814 189 S HN -0.337 7.932 8.310 -0.068 0.000 0.477 190 Q N 3.782 123.441 119.800 -0.235 0.000 2.112 190 Q HA -0.289 3.869 4.340 -0.305 0.000 0.206 190 Q C 1.471 177.187 176.000 -0.473 0.000 0.987 190 Q CA 2.602 58.145 55.803 -0.433 0.000 0.858 190 Q CB -0.056 28.258 28.738 -0.706 0.000 0.905 190 Q HN -0.269 7.871 8.270 -0.215 0.000 0.420 191 Y N -5.993 114.261 120.300 -0.077 0.000 2.531 191 Y HA 0.101 4.619 4.550 -0.053 0.000 0.249 191 Y C -0.475 175.275 175.900 -0.249 0.000 1.168 191 Y CA -1.445 56.560 58.100 -0.159 0.000 1.226 191 Y CB 0.895 39.155 38.460 -0.334 0.000 1.177 191 Y HN -0.699 7.430 8.280 -0.230 0.012 0.527 192 G N -0.712 108.037 108.800 -0.086 0.000 2.272 192 G HA2 -0.494 3.415 3.960 -0.085 0.000 0.280 192 G HA3 -0.494 3.418 3.960 -0.080 0.000 0.280 192 G C -1.155 173.646 174.900 -0.166 0.000 1.067 192 G CA 0.608 45.647 45.100 -0.102 0.000 0.902 192 G HN -0.428 7.695 8.290 -0.094 0.111 0.500 193 L N -2.144 118.964 121.223 -0.192 0.000 2.334 193 L HA 0.581 4.928 4.340 -0.278 -0.174 0.275 193 L C -0.254 176.537 176.870 -0.132 0.000 1.036 193 L CA -1.410 53.291 54.840 -0.231 0.000 0.807 193 L CB 1.656 43.546 42.059 -0.282 0.000 1.231 193 L HN -0.376 7.759 8.230 -0.159 0.000 0.438 194 S N 2.015 117.648 115.700 -0.113 0.000 2.473 194 S HA 0.223 4.652 4.470 -0.070 0.000 0.307 194 S C -1.588 172.980 174.600 -0.053 0.000 1.094 194 S CA -1.062 57.094 58.200 -0.072 0.000 1.070 194 S CB 1.942 65.107 63.200 -0.059 0.000 1.019 194 S HN 0.192 8.426 8.310 -0.126 0.000 0.480 195 L N 6.659 127.851 121.223 -0.051 0.000 2.453 195 L HA -0.092 4.238 4.340 -0.017 0.000 0.272 195 L C -0.352 176.506 176.870 -0.020 0.000 1.182 195 L CA 0.315 55.131 54.840 -0.040 0.000 0.858 195 L CB 0.812 42.816 42.059 -0.090 0.000 1.120 195 L HN 0.429 8.624 8.230 -0.059 0.000 0.474 196 V N 7.221 127.142 119.914 0.011 0.000 2.455 196 V HA 0.021 4.142 4.120 0.002 0.000 0.273 196 V C -0.721 175.379 176.094 0.011 0.000 1.045 196 V CA 0.500 62.808 62.300 0.014 0.000 0.976 196 V CB -0.161 31.682 31.823 0.033 0.000 0.993 196 V HN 0.022 8.233 8.190 0.036 0.000 0.475 197 T N 2.186 116.739 114.554 -0.003 0.000 2.926 197 T HA 0.671 5.156 4.350 0.002 -0.135 0.289 197 T C -0.810 173.887 174.700 -0.006 0.000 1.054 197 T CA -2.856 59.242 62.100 -0.005 0.000 1.015 197 T CB 3.021 71.880 68.868 -0.016 0.000 1.167 197 T HN -0.101 8.135 8.240 -0.007 0.000 0.526 198 G N 0.000 108.798 108.800 -0.004 0.000 5.446 198 G HA2 0.000 nan 3.960 nan 0.000 0.244 198 G HA3 0.000 3.952 3.960 -0.014 0.000 0.244 198 G CA 0.000 45.094 45.100 -0.009 0.000 0.502 198 G HN 0.000 8.290 8.290 -0.000 0.000 0.925