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 3mg3_1_A DATA FIRST_RESID 4 DATA SEQUENCE TIDSARGIFP NTLAADVVPA TIARFSQLNA EDQLALIWFA YLEMGKTLTI DATA SEQUENCE AAPGAASMQL AENALKEIQA MGPLQQTQAM CDLANRADTP LCRTYASWSP DATA SEQUENCE NIKLGFWYRL GELMEQGFVA PIPAGYQLSA NANAVLATIQ GLESGQQITV DATA SEQUENCE LLNAVVDMGF TXXXXXKRIA EPVVPPQDTA SRTKVSIEGV TNATVLNYMD DATA SEQUENCE NLNANDFDTL IELFTSDGAL QPPFQRPIVG KENVLRFFRE ECQNLKLIPE DATA SEQUENCE RGVTEPAEDG FTQIKVTGKV QTPWFGGNVG MNIAWRFLLN PEGKIFFVAI DATA SEQUENCE DLLASPKEL 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 4 T HA 0.000 4.424 4.350 0.124 0.000 0.228 4 T C 0.000 174.779 174.700 0.131 0.000 1.109 4 T CA 0.000 62.149 62.100 0.081 0.000 1.349 4 T CB 0.000 68.869 68.868 0.002 0.000 0.612 5 I N 1.008 121.623 120.570 0.075 0.000 2.151 5 I HA -0.465 3.547 4.170 -0.263 0.000 0.243 5 I C 0.684 176.658 176.117 -0.238 0.000 1.080 5 I CA 2.953 64.156 61.300 -0.161 0.000 1.339 5 I CB -0.526 37.381 38.000 -0.155 0.000 1.039 5 I HN 0.252 8.520 8.210 0.096 0.000 0.409 6 D N -2.074 118.250 120.400 -0.127 0.000 2.219 6 D HA -0.186 4.362 4.640 -0.152 0.000 0.205 6 D C 2.423 178.627 176.300 -0.159 0.000 0.970 6 D CA 3.188 57.109 54.000 -0.132 0.000 0.851 6 D CB -0.522 40.238 40.800 -0.066 0.000 0.943 6 D HN 0.366 8.691 8.370 -0.072 0.002 0.488 7 S N -0.645 114.976 115.700 -0.133 0.000 2.406 7 S HA -0.165 4.241 4.470 -0.107 0.000 0.228 7 S C 1.524 176.014 174.600 -0.183 0.000 1.020 7 S CA 2.360 60.485 58.200 -0.125 0.000 0.965 7 S CB -0.120 63.025 63.200 -0.091 0.000 0.798 7 S HN -0.224 7.914 8.310 -0.102 0.111 0.488 8 A N 1.649 124.307 122.820 -0.270 0.000 2.070 8 A HA -0.274 3.910 4.320 -0.226 0.000 0.220 8 A C 1.448 178.694 177.584 -0.563 0.000 1.159 8 A CA 2.045 53.843 52.037 -0.398 0.000 0.656 8 A CB -0.622 18.090 19.000 -0.479 0.000 0.800 8 A HN -0.418 7.585 8.150 -0.244 0.000 0.453 9 R N -1.887 118.284 120.500 -0.547 0.000 2.249 9 R HA -0.310 3.911 4.340 -0.197 0.000 0.230 9 R C 2.217 178.485 176.300 -0.054 0.000 1.121 9 R CA 2.392 58.345 56.100 -0.246 0.000 0.997 9 R CB -0.254 29.974 30.300 -0.119 0.000 0.867 9 R HN -0.541 7.294 8.270 -0.500 0.135 0.465 10 G N -1.772 106.978 108.800 -0.082 0.000 3.042 10 G HA2 -0.028 3.931 3.960 -0.001 0.000 0.212 10 G HA3 -0.028 3.905 3.960 -0.045 0.000 0.212 10 G C -0.426 174.471 174.900 -0.005 0.000 1.166 10 G CA -0.460 44.623 45.100 -0.028 0.000 0.767 10 G HN -0.519 7.624 8.290 -0.135 0.066 0.546 11 I N -3.172 117.404 120.570 0.010 0.000 2.836 11 I HA 0.016 4.115 4.170 -0.118 0.000 0.285 11 I C -0.204 175.993 176.117 0.134 0.000 1.174 11 I CA 0.423 61.715 61.300 -0.013 0.000 1.405 11 I CB 0.616 38.632 38.000 0.026 0.000 1.385 11 I HN -0.851 7.318 8.210 0.006 0.044 0.594 12 F N -3.507 116.480 119.950 0.063 0.000 2.861 12 F HA -0.259 4.300 4.527 0.052 0.000 0.230 12 F C -1.193 174.634 175.800 0.045 0.000 1.020 12 F CA 0.398 58.433 58.000 0.058 0.000 0.852 12 F CB -1.907 37.138 39.000 0.074 0.000 0.724 12 F HN 0.807 8.792 8.300 -0.525 0.000 0.843 13 P HA -0.179 4.295 4.420 0.091 0.000 0.221 13 P C -0.684 176.673 177.300 0.096 0.000 1.145 13 P CA 1.738 64.892 63.100 0.090 0.000 0.795 13 P CB -0.202 31.522 31.700 0.039 0.000 0.775 14 N N -3.463 115.305 118.700 0.113 0.000 2.314 14 N HA 0.036 4.820 4.740 0.074 0.000 0.200 14 N C 0.409 175.975 175.510 0.093 0.000 1.135 14 N CA -0.219 52.888 53.050 0.093 0.000 0.835 14 N CB -0.293 38.246 38.487 0.087 0.000 0.989 14 N HN -0.208 8.206 8.380 0.135 0.047 0.478 15 T N 3.716 118.335 114.554 0.109 0.000 2.902 15 T HA -0.201 4.185 4.350 0.060 0.000 0.301 15 T C -0.798 173.934 174.700 0.052 0.000 1.012 15 T CA 1.551 63.694 62.100 0.072 0.000 1.151 15 T CB 0.630 69.538 68.868 0.068 0.000 0.946 15 T HN -0.365 7.897 8.240 0.139 0.061 0.542 16 L N 6.623 127.869 121.223 0.038 0.000 2.358 16 L HA 0.215 4.583 4.340 0.047 0.000 0.274 16 L C -1.153 175.741 176.870 0.040 0.000 1.136 16 L CA -1.757 53.107 54.840 0.040 0.000 0.970 16 L CB -2.857 39.223 42.059 0.035 0.000 1.314 16 L HN 0.461 8.709 8.230 0.031 0.000 0.427 17 A N 3.044 125.897 122.820 0.054 0.000 2.351 17 A HA 0.211 4.681 4.320 0.033 -0.129 0.257 17 A C -0.300 177.369 177.584 0.141 0.000 1.087 17 A CA -1.039 51.043 52.037 0.075 0.000 0.798 17 A CB 1.355 20.406 19.000 0.084 0.000 1.033 17 A HN -0.155 8.031 8.150 0.059 0.000 0.488 18 A N 1.304 124.254 122.820 0.217 0.000 3.063 18 A HA 0.068 4.460 4.320 0.121 0.000 0.263 18 A C -0.215 177.488 177.584 0.198 0.000 1.736 18 A CA -1.070 51.091 52.037 0.207 0.000 1.408 18 A CB -1.346 17.779 19.000 0.209 0.000 1.108 18 A HN 0.284 8.568 8.150 0.224 0.000 0.621 19 D N 1.393 121.876 120.400 0.138 0.000 2.378 19 D HA -0.227 4.395 4.640 -0.029 0.000 0.227 19 D C 1.216 177.454 176.300 -0.103 0.000 1.012 19 D CA 1.548 55.561 54.000 0.022 0.000 0.905 19 D CB -0.673 40.169 40.800 0.069 0.000 0.895 19 D HN -0.178 8.235 8.370 0.129 0.034 0.532 20 V N -0.206 119.667 119.914 -0.068 0.000 2.568 20 V HA -0.408 3.668 4.120 -0.073 0.000 0.253 20 V C 0.914 176.908 176.094 -0.168 0.000 1.072 20 V CA 2.522 64.770 62.300 -0.087 0.000 1.084 20 V CB -0.000 31.797 31.823 -0.044 0.000 0.676 20 V HN -0.559 7.573 8.190 -0.023 0.044 0.469 21 V N 0.504 120.244 119.914 -0.289 0.000 2.237 21 V HA -0.329 3.634 4.120 -0.261 0.000 0.245 21 V C -0.943 174.876 176.094 -0.458 0.000 1.046 21 V CA 6.618 68.669 62.300 -0.415 0.000 1.007 21 V CB -2.622 28.866 31.823 -0.559 0.000 0.638 21 V HN -0.204 7.799 8.190 -0.285 0.017 0.445 22 P HA -0.103 4.133 4.420 -0.308 0.000 0.221 22 P C 0.929 178.123 177.300 -0.176 0.000 1.150 22 P CA 2.698 65.582 63.100 -0.360 0.000 0.800 22 P CB -0.786 30.713 31.700 -0.336 0.000 0.787 23 A N -1.311 121.416 122.820 -0.156 0.000 1.877 23 A HA -0.279 4.007 4.320 -0.057 0.000 0.216 23 A C 2.055 179.606 177.584 -0.054 0.000 1.186 23 A CA 3.517 55.507 52.037 -0.078 0.000 0.620 23 A CB -0.812 18.151 19.000 -0.062 0.000 0.822 23 A HN -0.251 7.771 8.150 -0.191 0.013 0.443 24 T N 1.439 115.948 114.554 -0.075 0.000 2.821 24 T HA -0.332 4.014 4.350 -0.007 0.000 0.267 24 T C 2.037 176.739 174.700 0.004 0.000 1.046 24 T CA 4.679 66.759 62.100 -0.035 0.000 1.139 24 T CB -0.105 68.728 68.868 -0.059 0.000 0.871 24 T HN -0.429 7.743 8.240 -0.113 0.000 0.454 25 I N 1.093 121.638 120.570 -0.041 0.000 2.315 25 I HA -0.418 3.779 4.170 0.046 0.000 0.248 25 I C 1.498 177.672 176.117 0.095 0.000 1.117 25 I CA 1.791 63.102 61.300 0.017 0.000 1.404 25 I CB -1.306 36.664 38.000 -0.050 0.000 1.071 25 I HN -0.258 7.893 8.210 -0.098 0.000 0.419 26 A N -0.470 122.369 122.820 0.033 0.000 1.933 26 A HA -0.339 4.008 4.320 0.045 0.000 0.218 26 A C 2.202 179.815 177.584 0.047 0.000 1.175 26 A CA 3.225 55.284 52.037 0.037 0.000 0.628 26 A CB -0.694 18.310 19.000 0.006 0.000 0.814 26 A HN 0.006 8.153 8.150 -0.006 0.000 0.444 27 R N -1.674 118.857 120.500 0.051 0.000 2.075 27 R HA -0.301 4.051 4.340 0.021 0.000 0.232 27 R C 2.829 179.169 176.300 0.067 0.000 1.126 27 R CA 2.806 58.934 56.100 0.046 0.000 0.963 27 R CB -0.115 30.211 30.300 0.043 0.000 0.858 27 R HN -0.628 7.668 8.270 0.044 0.000 0.435 28 F N 2.328 122.260 119.950 -0.030 0.000 2.126 28 F HA -0.318 4.193 4.527 -0.028 0.000 0.299 28 F C 1.368 177.151 175.800 -0.028 0.000 1.096 28 F CA 3.151 61.132 58.000 -0.031 0.000 1.255 28 F CB 0.184 39.161 39.000 -0.039 0.000 0.997 28 F HN 0.085 8.538 8.300 0.255 0.000 0.479 29 S N -3.757 111.975 115.700 0.053 0.000 2.474 29 S HA -0.226 4.173 4.470 -0.118 0.000 0.235 29 S C 0.856 175.386 174.600 -0.116 0.000 0.997 29 S CA 2.247 60.423 58.200 -0.040 0.000 0.949 29 S CB -0.648 62.598 63.200 0.077 0.000 0.766 29 S HN -0.236 8.175 8.310 0.181 0.009 0.517 30 Q N -2.222 117.519 119.800 -0.099 0.000 2.311 30 Q HA -0.061 4.238 4.340 -0.068 0.000 0.203 30 Q C 0.737 176.660 176.000 -0.129 0.000 0.954 30 Q CA 0.076 55.827 55.803 -0.087 0.000 0.885 30 Q CB 0.573 29.280 28.738 -0.051 0.000 0.963 30 Q HN -0.686 7.398 8.270 -0.071 0.143 0.471 31 L N -1.083 120.009 121.223 -0.218 0.000 2.464 31 L HA -0.147 4.106 4.340 -0.145 0.000 0.264 31 L C -0.167 176.585 176.870 -0.198 0.000 1.199 31 L CA -0.261 54.449 54.840 -0.216 0.000 0.818 31 L CB 0.360 42.230 42.059 -0.316 0.000 1.102 31 L HN -0.649 7.257 8.230 -0.292 0.150 0.473 32 N N -0.814 117.806 118.700 -0.133 0.000 2.441 32 N HA -0.221 4.464 4.740 -0.091 0.000 0.251 32 N C 1.345 176.775 175.510 -0.133 0.000 1.242 32 N CA 0.458 53.447 53.050 -0.102 0.000 0.898 32 N CB 1.409 39.864 38.487 -0.053 0.000 1.100 32 N HN 0.040 8.356 8.380 -0.107 0.000 0.443 33 A N 5.005 127.760 122.820 -0.108 0.000 1.908 33 A HA -0.360 3.866 4.320 -0.156 0.000 0.218 33 A C 2.006 179.519 177.584 -0.118 0.000 1.181 33 A CA 3.532 55.498 52.037 -0.117 0.000 0.627 33 A CB -0.602 18.356 19.000 -0.071 0.000 0.818 33 A HN 0.818 8.918 8.150 -0.084 0.000 0.445 34 E N -1.464 118.684 120.200 -0.087 0.000 2.106 34 E HA -0.329 3.930 4.350 -0.152 0.000 0.192 34 E C 2.012 178.512 176.600 -0.166 0.000 0.984 34 E CA 3.038 59.366 56.400 -0.120 0.000 0.806 34 E CB -0.681 28.987 29.700 -0.054 0.000 0.750 34 E HN 0.470 8.794 8.360 -0.060 0.000 0.458 35 D N -1.119 119.243 120.400 -0.064 0.000 2.144 35 D HA -0.255 4.398 4.640 0.023 0.000 0.200 35 D C 2.451 178.663 176.300 -0.145 0.000 0.978 35 D CA 3.634 57.609 54.000 -0.043 0.000 0.833 35 D CB -0.224 40.575 40.800 -0.003 0.000 0.961 35 D HN -0.641 7.706 8.370 -0.038 0.000 0.470 36 Q N 0.249 119.911 119.800 -0.230 0.000 2.061 36 Q HA -0.323 3.804 4.340 -0.356 0.000 0.204 36 Q C 2.793 178.766 176.000 -0.046 0.000 0.984 36 Q CA 3.270 58.899 55.803 -0.290 0.000 0.846 36 Q CB 0.100 28.530 28.738 -0.513 0.000 0.902 36 Q HN -0.291 7.759 8.270 -0.240 0.075 0.421 37 L N -1.768 119.376 121.223 -0.132 0.000 2.046 37 L HA -0.414 3.842 4.340 -0.140 0.000 0.208 37 L C 2.155 178.911 176.870 -0.189 0.000 1.077 37 L CA 3.064 57.812 54.840 -0.153 0.000 0.747 37 L CB -0.565 41.396 42.059 -0.163 0.000 0.896 37 L HN -0.210 7.926 8.230 -0.158 0.000 0.432 38 A N -0.838 121.776 122.820 -0.343 0.000 1.898 38 A HA -0.308 3.721 4.320 -0.485 0.000 0.216 38 A C 1.677 178.903 177.584 -0.597 0.000 1.181 38 A CA 3.025 54.716 52.037 -0.576 0.000 0.620 38 A CB -0.594 17.862 19.000 -0.907 0.000 0.819 38 A HN -0.152 7.782 8.150 -0.360 0.000 0.442 39 L N -0.890 120.147 121.223 -0.310 0.000 2.012 39 L HA -0.370 3.884 4.340 -0.144 0.000 0.210 39 L C 1.852 178.741 176.870 0.033 0.000 1.073 39 L CA 3.184 57.968 54.840 -0.093 0.000 0.748 39 L CB 0.159 42.281 42.059 0.106 0.000 0.891 39 L HN -0.249 7.849 8.230 -0.220 0.000 0.431 40 I N -2.575 118.026 120.570 0.051 0.000 2.315 40 I HA -0.406 3.780 4.170 0.026 0.000 0.248 40 I C 1.652 177.835 176.117 0.109 0.000 1.117 40 I CA 2.084 63.404 61.300 0.033 0.000 1.404 40 I CB -1.350 36.607 38.000 -0.072 0.000 1.071 40 I HN -0.413 7.831 8.210 0.056 0.000 0.419 41 W N 1.401 122.655 121.300 -0.076 0.000 2.335 41 W HA -0.467 4.210 4.660 0.028 0.000 0.311 41 W C 1.849 178.532 176.519 0.274 0.000 1.213 41 W CA 3.853 61.220 57.345 0.037 0.000 1.274 41 W CB 0.097 29.538 29.460 -0.032 0.000 1.148 41 W HN -0.158 8.122 8.180 0.166 0.000 0.498 42 F N -2.184 117.800 119.950 0.058 0.000 2.102 42 F HA -0.400 4.039 4.527 -0.147 0.000 0.298 42 F C 2.546 178.293 175.800 -0.088 0.000 1.105 42 F CA 1.496 59.468 58.000 -0.047 0.000 1.239 42 F CB -1.694 37.353 39.000 0.078 0.000 0.991 42 F HN 0.138 8.616 8.300 0.296 0.000 0.474 43 A N -0.965 121.961 122.820 0.177 0.000 1.933 43 A HA -0.319 4.035 4.320 0.057 0.000 0.218 43 A C 1.759 179.356 177.584 0.022 0.000 1.175 43 A CA 3.063 55.144 52.037 0.074 0.000 0.628 43 A CB -0.988 18.044 19.000 0.054 0.000 0.814 43 A HN 0.061 8.327 8.150 0.194 0.000 0.444 44 Y N -0.017 120.217 120.300 -0.109 0.000 2.200 44 Y HA -0.340 4.158 4.550 -0.086 0.000 0.290 44 Y C 1.756 177.517 175.900 -0.232 0.000 1.137 44 Y CA 4.018 62.032 58.100 -0.143 0.000 1.163 44 Y CB 0.434 38.813 38.460 -0.134 0.000 0.988 44 Y HN -0.101 8.266 8.280 0.162 0.010 0.518 45 L N -2.280 118.799 121.223 -0.239 0.000 2.042 45 L HA -0.421 3.716 4.340 -0.339 0.000 0.210 45 L C 1.934 178.671 176.870 -0.222 0.000 1.076 45 L CA 3.071 57.707 54.840 -0.340 0.000 0.749 45 L CB -0.199 41.559 42.059 -0.502 0.000 0.893 45 L HN -0.159 7.898 8.230 -0.288 0.000 0.432 46 E N -3.336 116.767 120.200 -0.162 0.000 2.112 46 E HA -0.175 4.102 4.350 -0.121 0.000 0.190 46 E C 3.005 179.532 176.600 -0.122 0.000 0.979 46 E CA 2.075 58.402 56.400 -0.121 0.000 0.814 46 E CB 0.049 29.700 29.700 -0.082 0.000 0.762 46 E HN -0.667 7.612 8.360 -0.136 0.000 0.460 47 M N 0.356 119.871 119.600 -0.142 0.000 2.229 47 M HA -0.227 4.183 4.480 -0.117 0.000 0.264 47 M C 2.032 178.236 176.300 -0.161 0.000 1.063 47 M CA 4.063 59.275 55.300 -0.146 0.000 1.114 47 M CB 0.305 32.807 32.600 -0.164 0.000 1.387 47 M HN 0.259 8.462 8.290 -0.144 0.000 0.420 48 G N -3.390 105.273 108.800 -0.229 0.000 2.559 48 G HA2 -0.217 3.852 3.960 -0.193 0.000 0.216 48 G HA3 -0.217 3.582 3.960 -0.268 0.000 0.216 48 G C 0.048 174.878 174.900 -0.117 0.000 1.126 48 G CA 1.014 45.988 45.100 -0.211 0.000 0.778 48 G HN -0.112 7.998 8.290 -0.271 0.017 0.543 49 K N -0.314 120.025 120.400 -0.103 0.000 2.288 49 K HA -0.151 4.132 4.320 -0.062 0.000 0.201 49 K C 1.249 177.821 176.600 -0.046 0.000 1.048 49 K CA 1.773 58.019 56.287 -0.068 0.000 0.956 49 K CB 0.448 32.909 32.500 -0.066 0.000 0.746 49 K HN -0.537 7.595 8.250 -0.115 0.049 0.461 50 T N -5.959 108.566 114.554 -0.047 0.000 2.986 50 T HA 0.128 4.467 4.350 -0.019 0.000 0.264 50 T C 0.009 174.704 174.700 -0.008 0.000 0.964 50 T CA -0.237 61.847 62.100 -0.027 0.000 0.895 50 T CB 2.144 70.992 68.868 -0.033 0.000 1.163 50 T HN -0.480 7.697 8.240 -0.061 0.026 0.517 51 L N 2.684 123.903 121.223 -0.007 0.000 2.381 51 L HA 0.367 4.757 4.340 0.084 0.000 0.274 51 L C -1.781 175.153 176.870 0.106 0.000 0.988 51 L CA -0.563 54.314 54.840 0.063 0.000 0.824 51 L CB 3.186 45.264 42.059 0.032 0.000 1.263 51 L HN -0.470 7.740 8.230 -0.033 0.000 0.410 52 T N 5.900 120.544 114.554 0.150 0.000 2.795 52 T HA 0.204 4.602 4.350 0.080 0.000 0.282 52 T C -0.819 173.976 174.700 0.157 0.000 0.980 52 T CA -0.816 61.358 62.100 0.124 0.000 1.012 52 T CB 1.034 69.955 68.868 0.089 0.000 0.936 52 T HN 0.181 8.514 8.240 0.156 0.000 0.457 53 I N 6.582 127.226 120.570 0.124 0.000 2.496 53 I HA -0.032 4.015 4.170 -0.414 -0.125 0.285 53 I C -0.068 176.122 176.117 0.122 0.000 1.080 53 I CA -0.417 60.881 61.300 -0.004 0.000 1.404 53 I CB 0.607 38.741 38.000 0.223 0.000 1.403 53 I HN 0.398 8.688 8.210 0.132 0.000 0.539 54 A N 7.637 130.450 122.820 -0.013 0.000 2.520 54 A HA -0.113 4.194 4.320 -0.021 0.000 0.235 54 A C -1.028 176.512 177.584 -0.075 0.000 1.065 54 A CA 0.129 52.139 52.037 -0.045 0.000 0.764 54 A CB 0.611 19.497 19.000 -0.188 0.000 1.002 54 A HN 0.144 8.202 8.150 -0.154 0.000 0.502 55 A N 2.940 125.670 122.820 -0.150 0.000 2.462 55 A HA 0.028 4.001 4.320 -0.579 0.000 0.243 55 A C -1.742 175.574 177.584 -0.447 0.000 1.076 55 A CA -1.138 50.700 52.037 -0.331 0.000 0.773 55 A CB -0.369 18.544 19.000 -0.146 0.000 1.010 55 A HN 0.066 8.157 8.150 -0.098 0.000 0.493 56 P HA -0.074 4.074 4.420 -0.453 0.000 0.267 56 P C -0.556 176.576 177.300 -0.279 0.000 1.200 56 P CA 0.081 62.977 63.100 -0.340 0.000 0.772 56 P CB 0.639 32.250 31.700 -0.148 0.000 0.855 57 G N 0.779 109.411 108.800 -0.280 0.000 2.594 57 G HA2 -0.107 3.734 3.960 -0.199 0.000 0.243 57 G HA3 -0.107 3.730 3.960 -0.204 0.000 0.243 57 G C 0.421 175.239 174.900 -0.135 0.000 1.229 57 G CA -0.704 44.274 45.100 -0.203 0.000 0.843 57 G HN 0.152 8.245 8.290 -0.329 0.000 0.578 58 A N 3.143 125.900 122.820 -0.106 0.000 1.933 58 A HA -0.255 4.024 4.320 -0.069 0.000 0.218 58 A C 2.252 179.791 177.584 -0.075 0.000 1.175 58 A CA 2.756 54.747 52.037 -0.077 0.000 0.628 58 A CB -0.207 18.757 19.000 -0.060 0.000 0.814 58 A HN 0.489 8.576 8.150 -0.106 0.000 0.444 59 A N -2.387 120.383 122.820 -0.082 0.000 1.902 59 A HA -0.395 3.885 4.320 -0.067 0.000 0.217 59 A C 1.826 179.349 177.584 -0.102 0.000 1.181 59 A CA 2.996 54.985 52.037 -0.079 0.000 0.623 59 A CB -0.891 18.065 19.000 -0.074 0.000 0.818 59 A HN 0.246 8.344 8.150 -0.087 0.000 0.443 60 S N -1.651 113.979 115.700 -0.117 0.000 2.359 60 S HA -0.438 3.925 4.470 -0.180 0.000 0.224 60 S C 2.119 176.626 174.600 -0.156 0.000 1.035 60 S CA 3.356 61.467 58.200 -0.148 0.000 1.018 60 S CB -0.337 62.794 63.200 -0.113 0.000 0.876 60 S HN -0.156 8.085 8.310 -0.115 0.000 0.448 61 M N 0.589 120.128 119.600 -0.102 0.000 2.175 61 M HA -0.423 4.017 4.480 -0.065 0.000 0.264 61 M C 1.640 177.899 176.300 -0.069 0.000 1.063 61 M CA 3.965 59.224 55.300 -0.069 0.000 1.119 61 M CB 0.193 32.772 32.600 -0.035 0.000 1.377 61 M HN -0.563 7.671 8.290 -0.093 0.000 0.415 62 Q N -0.025 119.735 119.800 -0.068 0.000 2.124 62 Q HA -0.225 4.097 4.340 -0.030 0.000 0.202 62 Q C 3.013 178.975 176.000 -0.064 0.000 0.977 62 Q CA 2.575 58.348 55.803 -0.049 0.000 0.850 62 Q CB -0.610 28.103 28.738 -0.042 0.000 0.901 62 Q HN -0.458 7.770 8.270 -0.071 0.000 0.429 63 L N -2.468 118.680 121.223 -0.125 0.000 2.156 63 L HA -0.287 4.003 4.340 -0.084 0.000 0.208 63 L C 0.919 177.652 176.870 -0.228 0.000 1.095 63 L CA 1.989 56.730 54.840 -0.166 0.000 0.770 63 L CB -0.060 41.855 42.059 -0.239 0.000 0.914 63 L HN -0.308 7.734 8.230 -0.143 0.103 0.439 64 A N -5.337 117.298 122.820 -0.308 0.000 2.275 64 A HA 0.048 4.167 4.320 -0.335 0.000 0.212 64 A C 0.980 178.611 177.584 0.078 0.000 1.201 64 A CA 0.882 52.755 52.037 -0.274 0.000 0.843 64 A CB -0.347 18.409 19.000 -0.407 0.000 0.873 64 A HN -0.501 7.485 8.150 -0.274 0.000 0.492 65 E N 0.402 120.625 120.200 0.038 0.000 2.058 65 E HA -0.383 4.008 4.350 0.068 0.000 0.194 65 E C 1.782 178.447 176.600 0.108 0.000 0.997 65 E CA 3.004 59.444 56.400 0.066 0.000 0.801 65 E CB -0.464 29.255 29.700 0.031 0.000 0.746 65 E HN -0.546 7.638 8.360 -0.008 0.172 0.450 66 N N -1.325 117.447 118.700 0.120 0.000 2.120 66 N HA -0.273 4.522 4.740 0.091 0.000 0.188 66 N C 2.088 177.696 175.510 0.163 0.000 1.024 66 N CA 3.060 56.182 53.050 0.121 0.000 0.852 66 N CB -0.905 37.649 38.487 0.111 0.000 1.003 66 N HN 0.279 8.727 8.380 0.113 0.000 0.424 67 A N 0.409 123.386 122.820 0.261 0.000 1.898 67 A HA -0.202 4.245 4.320 0.211 0.000 0.216 67 A C 1.753 179.541 177.584 0.340 0.000 1.181 67 A CA 2.703 54.925 52.037 0.310 0.000 0.620 67 A CB -0.579 18.687 19.000 0.443 0.000 0.819 67 A HN -0.668 7.669 8.150 0.312 0.000 0.442 68 L N -1.763 119.664 121.223 0.339 0.000 2.017 68 L HA -0.437 3.986 4.340 0.138 0.000 0.208 68 L C 1.958 178.879 176.870 0.086 0.000 1.073 68 L CA 3.304 58.246 54.840 0.170 0.000 0.745 68 L CB -0.181 41.933 42.059 0.093 0.000 0.894 68 L HN -0.231 8.207 8.230 0.346 0.000 0.432 69 K N -1.956 118.496 120.400 0.086 0.000 2.057 69 K HA -0.421 3.917 4.320 0.030 0.000 0.207 69 K C 2.329 178.956 176.600 0.045 0.000 1.049 69 K CA 3.754 60.069 56.287 0.048 0.000 0.931 69 K CB -0.337 32.189 32.500 0.043 0.000 0.714 69 K HN -0.177 8.135 8.250 0.103 0.000 0.440 70 E N -0.344 119.897 120.200 0.067 0.000 2.051 70 E HA -0.297 4.077 4.350 0.039 0.000 0.192 70 E C 2.545 179.171 176.600 0.044 0.000 0.991 70 E CA 2.901 59.333 56.400 0.053 0.000 0.799 70 E CB -0.104 29.635 29.700 0.066 0.000 0.748 70 E HN -0.793 7.621 8.360 0.090 0.000 0.449 71 I N -1.473 119.133 120.570 0.059 0.000 2.226 71 I HA -0.411 3.777 4.170 0.029 0.000 0.245 71 I C 2.811 178.934 176.117 0.010 0.000 1.100 71 I CA 3.579 64.899 61.300 0.033 0.000 1.374 71 I CB 0.013 38.028 38.000 0.026 0.000 1.057 71 I HN -0.627 7.636 8.210 0.089 0.000 0.413 72 Q N -1.454 118.351 119.800 0.007 0.000 2.226 72 Q HA -0.304 4.037 4.340 0.002 0.000 0.204 72 Q C 1.357 177.358 176.000 0.002 0.000 0.975 72 Q CA 2.555 58.358 55.803 0.001 0.000 0.866 72 Q CB -0.063 28.672 28.738 -0.005 0.000 0.915 72 Q HN -0.259 8.019 8.270 0.013 0.000 0.440 73 A N -3.266 119.557 122.820 0.005 0.000 2.123 73 A HA -0.033 4.285 4.320 -0.003 0.000 0.214 73 A C 0.258 177.844 177.584 0.003 0.000 1.152 73 A CA 0.555 52.593 52.037 0.002 0.000 0.728 73 A CB 0.366 19.369 19.000 0.005 0.000 0.814 73 A HN -0.594 7.429 8.150 0.011 0.134 0.464 74 M N -0.006 119.598 119.600 0.006 0.000 2.240 74 M HA -0.149 4.332 4.480 0.003 0.000 0.333 74 M C 0.250 176.552 176.300 0.003 0.000 1.110 74 M CA 0.455 55.757 55.300 0.004 0.000 1.173 74 M CB 0.606 33.208 32.600 0.004 0.000 1.458 74 M HN -0.852 7.305 8.290 0.008 0.138 0.458 75 G N -0.115 108.685 108.800 0.001 0.000 2.636 75 G HA2 0.083 4.045 3.960 0.004 0.000 0.246 75 G HA3 0.083 4.043 3.960 0.001 0.000 0.246 75 G C -0.460 174.440 174.900 -0.001 0.000 1.216 75 G CA -1.814 43.287 45.100 0.002 0.000 0.854 75 G HN 0.031 8.321 8.290 0.000 0.000 0.572 76 P HA -0.266 4.321 4.420 -0.010 -0.173 0.216 76 P C 1.577 178.869 177.300 -0.014 0.000 1.150 76 P CA 2.022 65.117 63.100 -0.008 0.000 0.837 76 P CB 0.300 31.994 31.700 -0.008 0.000 0.786 77 L N -4.177 117.040 121.223 -0.010 0.000 2.093 77 L HA -0.302 4.029 4.340 -0.015 0.000 0.208 77 L C 2.483 179.346 176.870 -0.011 0.000 1.085 77 L CA 3.137 57.971 54.840 -0.012 0.000 0.755 77 L CB -0.765 41.289 42.059 -0.009 0.000 0.904 77 L HN -0.161 8.065 8.230 -0.008 0.000 0.435 78 Q N -1.876 117.919 119.800 -0.009 0.000 2.119 78 Q HA -0.304 4.031 4.340 -0.009 0.000 0.201 78 Q C 2.594 178.590 176.000 -0.006 0.000 0.972 78 Q CA 3.089 58.887 55.803 -0.008 0.000 0.847 78 Q CB -0.878 27.857 28.738 -0.005 0.000 0.903 78 Q HN -0.361 7.905 8.270 -0.007 0.000 0.433 79 Q N -0.156 119.640 119.800 -0.006 0.000 2.084 79 Q HA -0.305 4.035 4.340 -0.000 0.000 0.202 79 Q C 2.653 178.650 176.000 -0.004 0.000 0.978 79 Q CA 3.331 59.131 55.803 -0.005 0.000 0.844 79 Q CB 0.014 28.745 28.738 -0.012 0.000 0.898 79 Q HN -0.206 8.059 8.270 -0.007 0.000 0.426 80 T N 1.830 116.375 114.554 -0.015 0.000 2.746 80 T HA -0.386 3.952 4.350 -0.020 0.000 0.267 80 T C 1.684 176.379 174.700 -0.008 0.000 1.039 80 T CA 4.775 66.863 62.100 -0.020 0.000 1.142 80 T CB -0.224 68.622 68.868 -0.037 0.000 0.866 80 T HN -0.556 7.673 8.240 -0.019 0.000 0.444 81 Q N 1.575 121.370 119.800 -0.009 0.000 2.124 81 Q HA -0.333 4.000 4.340 -0.012 0.000 0.202 81 Q C 1.544 177.542 176.000 -0.002 0.000 0.977 81 Q CA 2.903 58.700 55.803 -0.009 0.000 0.850 81 Q CB -0.602 28.128 28.738 -0.013 0.000 0.901 81 Q HN -0.477 7.786 8.270 -0.011 0.000 0.429 82 A N -0.534 122.289 122.820 0.004 0.000 1.902 82 A HA -0.214 4.103 4.320 -0.005 0.000 0.217 82 A C 2.179 179.786 177.584 0.038 0.000 1.181 82 A CA 2.848 54.891 52.037 0.010 0.000 0.623 82 A CB -0.597 18.412 19.000 0.015 0.000 0.818 82 A HN -0.271 7.881 8.150 0.003 0.000 0.443 83 M N -2.093 117.554 119.600 0.077 0.000 2.175 83 M HA -0.440 4.194 4.480 0.256 0.000 0.264 83 M C 2.081 178.465 176.300 0.140 0.000 1.063 83 M CA 4.441 59.859 55.300 0.197 0.000 1.119 83 M CB 0.011 32.766 32.600 0.258 0.000 1.377 83 M HN -0.559 7.767 8.290 0.059 0.000 0.415 84 C N -0.078 119.254 119.300 0.053 0.000 2.425 84 C HA -0.515 3.950 4.460 0.009 0.000 0.277 84 C C 1.729 176.723 174.990 0.006 0.000 1.280 84 C CA 5.030 64.056 59.018 0.014 0.000 1.744 84 C CB -0.503 27.230 27.740 -0.012 0.000 1.989 84 C HN -0.030 8.222 8.230 0.037 0.000 0.491 85 D N 0.682 121.082 120.400 -0.001 0.000 2.123 85 D HA -0.263 4.360 4.640 -0.028 0.000 0.196 85 D C 2.268 178.555 176.300 -0.022 0.000 0.992 85 D CA 3.448 57.434 54.000 -0.023 0.000 0.833 85 D CB -0.626 40.150 40.800 -0.040 0.000 0.954 85 D HN -0.342 7.948 8.370 0.002 0.081 0.455 86 L N -0.788 120.425 121.223 -0.016 0.000 2.017 86 L HA -0.285 3.976 4.340 -0.132 0.000 0.208 86 L C 2.618 179.486 176.870 -0.003 0.000 1.073 86 L CA 3.135 57.937 54.840 -0.065 0.000 0.745 86 L CB -0.209 41.812 42.059 -0.065 0.000 0.894 86 L HN -0.471 7.765 8.230 0.009 0.000 0.432 87 A N -2.017 120.828 122.820 0.042 0.000 1.969 87 A HA -0.315 4.033 4.320 0.047 0.000 0.218 87 A C 1.208 178.794 177.584 0.004 0.000 1.169 87 A CA 2.851 54.904 52.037 0.025 0.000 0.635 87 A CB -0.516 18.480 19.000 -0.007 0.000 0.810 87 A HN -0.294 7.892 8.150 0.061 0.000 0.445 88 N N -4.885 113.813 118.700 -0.004 0.000 2.515 88 N HA -0.111 4.620 4.740 -0.015 0.000 0.185 88 N C -0.439 175.088 175.510 0.027 0.000 1.109 88 N CA 0.673 53.720 53.050 -0.004 0.000 0.903 88 N CB 0.616 39.092 38.487 -0.017 0.000 0.969 88 N HN -0.371 8.006 8.380 -0.004 0.000 0.450 89 R N -5.898 114.631 120.500 0.048 0.000 3.525 89 R HA -0.469 4.107 4.340 0.120 -0.164 0.276 89 R C -1.036 175.346 176.300 0.137 0.000 1.116 89 R CA 0.688 56.857 56.100 0.116 0.000 0.745 89 R CB -3.170 27.211 30.300 0.135 0.000 1.185 89 R HN -0.652 7.468 8.270 0.033 0.170 0.454 90 A N -1.489 121.344 122.820 0.021 0.000 2.366 90 A HA -0.086 4.177 4.320 -0.095 0.000 0.249 90 A C -1.245 176.193 177.584 -0.245 0.000 1.084 90 A CA -0.388 51.595 52.037 -0.089 0.000 0.794 90 A CB 1.155 20.100 19.000 -0.091 0.000 1.034 90 A HN -0.409 7.732 8.150 0.004 0.011 0.491 91 D N -0.515 119.556 120.400 -0.548 0.000 2.441 91 D HA 0.070 4.097 4.640 -1.023 0.000 0.221 91 D C -1.101 174.966 176.300 -0.388 0.000 1.156 91 D CA -0.192 53.281 54.000 -0.879 0.000 0.896 91 D CB -0.828 39.191 40.800 -1.302 0.000 1.028 91 D HN -0.031 8.052 8.370 -0.480 0.000 0.509 92 T N 0.830 115.247 114.554 -0.228 0.000 2.883 92 T HA 0.587 4.856 4.350 -0.136 0.000 0.296 92 T C -1.431 173.217 174.700 -0.088 0.000 1.117 92 T CA -3.930 58.090 62.100 -0.134 0.000 1.006 92 T CB 1.676 70.483 68.868 -0.102 0.000 1.191 92 T HN -0.688 7.440 8.240 -0.186 0.000 0.508 93 P HA -0.184 4.209 4.420 -0.045 0.000 0.215 93 P C 0.993 178.246 177.300 -0.079 0.000 1.153 93 P CA 2.957 66.024 63.100 -0.055 0.000 0.853 93 P CB 0.107 31.782 31.700 -0.042 0.000 0.788 94 L N -2.105 119.066 121.223 -0.086 0.000 2.046 94 L HA -0.218 4.037 4.340 -0.141 0.000 0.208 94 L C 1.485 178.246 176.870 -0.182 0.000 1.077 94 L CA 3.161 57.924 54.840 -0.129 0.000 0.747 94 L CB -0.499 41.504 42.059 -0.093 0.000 0.896 94 L HN -0.449 7.738 8.230 -0.072 0.000 0.432 95 C N -1.953 117.275 119.300 -0.120 0.000 2.425 95 C HA -0.496 3.883 4.460 -0.135 0.000 0.277 95 C C 1.980 176.957 174.990 -0.021 0.000 1.280 95 C CA 5.035 64.006 59.018 -0.077 0.000 1.744 95 C CB -0.515 27.219 27.740 -0.009 0.000 1.989 95 C HN -0.347 7.824 8.230 -0.098 0.000 0.491 96 R N -0.374 120.121 120.500 -0.008 0.000 2.075 96 R HA -0.155 4.422 4.340 0.067 -0.196 0.232 96 R C 2.446 178.656 176.300 -0.149 0.000 1.126 96 R CA 3.457 59.558 56.100 0.001 0.000 0.963 96 R CB 0.032 30.357 30.300 0.041 0.000 0.858 96 R HN -0.108 8.151 8.270 -0.018 0.000 0.435 97 T N 2.105 116.510 114.554 -0.248 0.000 2.708 97 T HA -0.423 3.728 4.350 -0.332 0.000 0.266 97 T C 1.168 175.290 174.700 -0.964 0.000 1.037 97 T CA 4.978 66.808 62.100 -0.451 0.000 1.146 97 T CB 0.098 68.736 68.868 -0.383 0.000 0.865 97 T HN -0.289 7.826 8.240 -0.208 0.000 0.435 98 Y N 1.582 121.216 120.300 -1.110 0.000 2.165 98 Y HA -0.531 2.654 4.550 -2.275 0.000 0.286 98 Y C 1.616 177.131 175.900 -0.641 0.000 1.155 98 Y CA 3.644 60.970 58.100 -1.290 0.000 1.164 98 Y CB -0.085 37.912 38.460 -0.771 0.000 0.978 98 Y HN -0.176 7.751 8.280 -0.588 0.000 0.513 99 A N -3.793 118.926 122.820 -0.169 0.000 2.070 99 A HA -0.248 4.073 4.320 0.003 0.000 0.220 99 A C 0.765 178.277 177.584 -0.121 0.000 1.159 99 A CA 2.232 54.228 52.037 -0.068 0.000 0.656 99 A CB -0.618 18.371 19.000 -0.018 0.000 0.800 99 A HN -0.300 7.780 8.150 -0.117 0.000 0.453 100 S N -2.534 113.042 115.700 -0.206 0.000 2.522 100 S HA -0.055 4.393 4.470 -0.037 0.000 0.227 100 S C -0.363 174.283 174.600 0.076 0.000 0.986 100 S CA 0.948 59.103 58.200 -0.074 0.000 0.929 100 S CB 0.515 63.678 63.200 -0.062 0.000 0.769 100 S HN -0.522 7.447 8.310 -0.332 0.142 0.529 101 W N 1.770 122.993 121.300 -0.129 0.000 2.251 101 W HA 0.370 5.102 4.660 -0.106 -0.136 0.329 101 W C 0.382 176.828 176.519 -0.123 0.000 1.234 101 W CA -1.328 55.927 57.345 -0.149 0.000 1.228 101 W CB 0.390 29.694 29.460 -0.260 0.000 1.135 101 W HN -0.683 7.272 8.180 -0.110 0.159 0.576 102 S N 0.850 116.634 115.700 0.140 0.000 2.589 102 S HA 0.152 4.666 4.470 0.073 0.000 0.265 102 S C -0.174 174.472 174.600 0.077 0.000 1.342 102 S CA -1.079 57.166 58.200 0.074 0.000 1.005 102 S CB 0.228 63.447 63.200 0.031 0.000 0.909 102 S HN -0.115 8.266 8.310 0.119 0.000 0.555 103 P HA -0.211 4.265 4.420 0.093 0.000 0.216 103 P C 1.095 178.479 177.300 0.140 0.000 1.150 103 P CA 2.631 65.795 63.100 0.106 0.000 0.837 103 P CB 0.016 31.789 31.700 0.121 0.000 0.786 104 N N -2.837 115.971 118.700 0.180 0.000 2.166 104 N HA -0.262 4.783 4.740 0.507 0.000 0.186 104 N C 2.324 177.961 175.510 0.211 0.000 1.019 104 N CA 3.154 56.395 53.050 0.319 0.000 0.856 104 N CB -0.626 38.012 38.487 0.252 0.000 0.993 104 N HN 0.168 8.635 8.380 0.144 0.000 0.426 105 I N 0.835 121.418 120.570 0.022 0.000 2.286 105 I HA -0.337 3.727 4.170 -0.175 0.000 0.245 105 I C 1.994 178.044 176.117 -0.113 0.000 1.104 105 I CA 3.619 64.802 61.300 -0.196 0.000 1.397 105 I CB -0.097 37.589 38.000 -0.523 0.000 1.072 105 I HN -0.868 7.348 8.210 0.009 0.000 0.417 106 K N 0.065 120.494 120.400 0.048 0.000 2.057 106 K HA -0.326 4.114 4.320 0.200 0.000 0.207 106 K C 2.610 179.442 176.600 0.386 0.000 1.049 106 K CA 3.586 59.967 56.287 0.156 0.000 0.931 106 K CB -0.213 32.256 32.500 -0.052 0.000 0.714 106 K HN -0.726 7.553 8.250 0.048 0.000 0.440 107 L N -1.846 119.521 121.223 0.241 0.000 2.046 107 L HA -0.338 4.134 4.340 0.219 0.000 0.208 107 L C 2.105 179.108 176.870 0.223 0.000 1.077 107 L CA 3.001 57.918 54.840 0.129 0.000 0.747 107 L CB -0.338 41.520 42.059 -0.334 0.000 0.896 107 L HN 0.169 8.503 8.230 0.173 0.000 0.432 108 G N -2.132 106.835 108.800 0.279 0.000 2.422 108 G HA2 -0.324 3.831 3.960 0.326 0.000 0.218 108 G HA3 -0.324 3.769 3.960 0.221 0.000 0.218 108 G C 0.801 175.867 174.900 0.276 0.000 1.140 108 G CA 1.781 47.052 45.100 0.285 0.000 0.775 108 G HN -0.273 8.172 8.290 0.260 0.000 0.545 109 F N 3.199 123.199 119.950 0.082 0.000 2.075 109 F HA -0.313 4.222 4.527 0.013 0.000 0.297 109 F C 0.581 176.425 175.800 0.074 0.000 1.113 109 F CA 3.401 61.424 58.000 0.038 0.000 1.218 109 F CB 0.305 39.358 39.000 0.088 0.000 0.984 109 F HN -0.463 8.055 8.300 0.364 0.000 0.472 110 W N -2.848 118.642 121.300 0.316 0.000 2.402 110 W HA -0.466 4.164 4.660 -0.049 0.000 0.286 110 W C 1.987 178.518 176.519 0.021 0.000 1.221 110 W CA 3.081 60.485 57.345 0.098 0.000 1.257 110 W CB 0.056 29.626 29.460 0.183 0.000 1.120 110 W HN -0.464 8.106 8.180 0.650 0.000 0.551 111 Y N 0.538 120.951 120.300 0.189 0.000 2.181 111 Y HA -0.519 4.096 4.550 0.110 0.000 0.288 111 Y C 1.708 177.668 175.900 0.101 0.000 1.146 111 Y CA 3.598 61.782 58.100 0.141 0.000 1.164 111 Y CB 0.207 38.789 38.460 0.202 0.000 0.982 111 Y HN 0.109 8.674 8.280 0.476 0.000 0.515 112 R N -2.194 118.481 120.500 0.292 0.000 2.073 112 R HA -0.259 4.197 4.340 0.193 0.000 0.229 112 R C 2.522 178.817 176.300 -0.008 0.000 1.120 112 R CA 1.561 57.748 56.100 0.145 0.000 0.967 112 R CB -0.382 29.981 30.300 0.105 0.000 0.862 112 R HN -0.571 7.878 8.270 0.299 0.000 0.436 113 L N -1.414 119.741 121.223 -0.113 0.000 2.131 113 L HA -0.300 3.965 4.340 -0.125 0.000 0.210 113 L C 1.982 178.863 176.870 0.019 0.000 1.092 113 L CA 2.758 57.529 54.840 -0.116 0.000 0.759 113 L CB -0.668 41.245 42.059 -0.242 0.000 0.903 113 L HN -0.194 7.928 8.230 -0.180 0.000 0.435 114 G N -1.797 107.031 108.800 0.047 0.000 2.421 114 G HA2 -0.401 3.700 3.960 0.235 0.000 0.216 114 G HA3 -0.401 3.534 3.960 -0.042 0.000 0.216 114 G C 0.978 175.953 174.900 0.124 0.000 1.171 114 G CA 2.019 47.176 45.100 0.095 0.000 0.775 114 G HN 0.092 8.401 8.290 0.033 0.000 0.543 115 E N 2.991 123.192 120.200 0.003 0.000 2.077 115 E HA -0.249 4.325 4.350 0.033 -0.204 0.193 115 E C 2.798 179.439 176.600 0.069 0.000 0.989 115 E CA 2.503 58.916 56.400 0.022 0.000 0.800 115 E CB -0.075 29.617 29.700 -0.013 0.000 0.746 115 E HN -0.660 7.663 8.360 -0.062 0.000 0.452 116 L N -1.600 119.664 121.223 0.068 0.000 2.156 116 L HA -0.226 4.207 4.340 0.155 0.000 0.208 116 L C 2.416 179.295 176.870 0.014 0.000 1.095 116 L CA 2.788 57.685 54.840 0.095 0.000 0.770 116 L CB 0.037 42.157 42.059 0.101 0.000 0.914 116 L HN -0.363 7.816 8.230 0.050 0.081 0.439 117 M N -0.511 119.087 119.600 -0.004 0.000 2.175 117 M HA -0.298 4.274 4.480 -0.147 -0.181 0.264 117 M C 3.286 179.544 176.300 -0.071 0.000 1.063 117 M CA 3.697 58.923 55.300 -0.122 0.000 1.119 117 M CB 0.120 32.546 32.600 -0.289 0.000 1.377 117 M HN 0.044 8.350 8.290 0.027 0.000 0.415 118 E N -0.215 120.074 120.200 0.147 0.000 2.118 118 E HA -0.330 4.227 4.350 0.344 0.000 0.195 118 E C 2.012 178.608 176.600 -0.006 0.000 0.992 118 E CA 2.569 59.098 56.400 0.215 0.000 0.804 118 E CB -0.440 29.399 29.700 0.232 0.000 0.741 118 E HN -0.304 8.184 8.360 0.212 0.000 0.458 119 Q N -3.703 116.019 119.800 -0.130 0.000 2.432 119 Q HA -0.015 4.142 4.340 -0.303 0.000 0.205 119 Q C 0.546 176.153 176.000 -0.656 0.000 0.945 119 Q CA 0.262 55.825 55.803 -0.400 0.000 0.924 119 Q CB 0.539 28.996 28.738 -0.469 0.000 1.016 119 Q HN -0.475 7.631 8.270 -0.089 0.111 0.503 120 G N -1.989 106.572 108.800 -0.398 0.000 2.141 120 G HA2 -0.301 3.542 3.960 -0.195 0.000 0.242 120 G HA3 -0.301 3.475 3.960 -0.307 0.000 0.242 120 G C 0.218 174.999 174.900 -0.199 0.000 0.982 120 G CA 0.475 45.394 45.100 -0.302 0.000 0.662 120 G HN -0.430 7.537 8.290 -0.262 0.166 0.527 121 F N -1.391 118.547 119.950 -0.020 0.000 2.743 121 F HA 0.089 4.605 4.527 -0.017 0.000 0.297 121 F C -0.772 175.007 175.800 -0.035 0.000 1.131 121 F CA -0.637 57.351 58.000 -0.021 0.000 1.426 121 F CB 0.697 39.690 39.000 -0.011 0.000 1.116 121 F HN -0.545 7.621 8.300 -0.224 0.000 0.583 122 V N -3.184 116.785 119.914 0.092 0.000 2.789 122 V HA 0.151 4.436 4.120 0.027 -0.148 0.311 122 V C -1.099 174.966 176.094 -0.048 0.000 1.073 122 V CA -2.398 59.912 62.300 0.017 0.000 0.921 122 V CB 4.132 35.950 31.823 -0.009 0.000 1.009 122 V HN -0.922 7.257 8.190 0.042 0.036 0.426 123 A N 6.377 129.165 122.820 -0.053 0.000 2.545 123 A HA 0.055 4.331 4.320 -0.074 0.000 0.253 123 A C -2.087 175.401 177.584 -0.160 0.000 1.074 123 A CA -0.618 51.369 52.037 -0.084 0.000 0.760 123 A CB -1.605 17.357 19.000 -0.064 0.000 1.005 123 A HN 0.104 8.484 8.150 -0.037 -0.252 0.506 124 P HA 0.119 4.253 4.420 -0.477 0.000 0.281 124 P C -1.325 175.752 177.300 -0.373 0.000 1.281 124 P CA -1.496 61.380 63.100 -0.373 0.000 0.811 124 P CB 0.861 32.359 31.700 -0.337 0.000 1.154 125 I N -0.922 119.304 120.570 -0.573 0.000 2.775 125 I HA -0.178 3.746 4.170 -0.410 0.000 0.290 125 I C -1.019 174.970 176.117 -0.212 0.000 1.203 125 I CA -2.796 58.239 61.300 -0.442 0.000 1.433 125 I CB -1.414 36.263 38.000 -0.539 0.000 1.354 125 I HN 0.021 7.709 8.210 -0.869 0.000 0.579 126 P HA -0.058 4.361 4.420 -0.003 0.000 0.265 126 P C -1.201 176.165 177.300 0.109 0.000 1.187 126 P CA -0.115 63.005 63.100 0.033 0.000 0.766 126 P CB 0.606 32.386 31.700 0.134 0.000 0.820 127 A N 2.888 125.756 122.820 0.080 0.000 2.520 127 A HA -0.204 4.185 4.320 0.115 0.000 0.245 127 A C 1.292 178.956 177.584 0.135 0.000 1.072 127 A CA 1.002 53.099 52.037 0.101 0.000 0.761 127 A CB 0.119 19.154 19.000 0.060 0.000 1.004 127 A HN 0.024 8.204 8.150 0.051 0.000 0.499 128 G N 2.997 111.891 108.800 0.158 0.000 2.148 128 G HA2 -0.218 3.812 3.960 0.117 0.000 0.254 128 G HA3 -0.218 3.800 3.960 0.097 0.000 0.254 128 G C -0.646 174.372 174.900 0.196 0.000 0.981 128 G CA 0.220 45.403 45.100 0.138 0.000 0.670 128 G HN 0.291 8.680 8.290 0.165 0.000 0.528 129 Y N 1.475 121.878 120.300 0.171 0.000 2.712 129 Y HA -0.318 4.300 4.550 0.114 0.000 0.333 129 Y C -0.957 175.099 175.900 0.259 0.000 1.225 129 Y CA 1.098 59.308 58.100 0.184 0.000 1.499 129 Y CB 0.813 39.379 38.460 0.178 0.000 1.288 129 Y HN -0.638 7.867 8.280 0.433 0.035 0.575 130 Q N 6.366 126.020 119.800 -0.243 0.000 2.316 130 Q HA 0.284 4.729 4.340 0.175 0.000 0.264 130 Q C -1.198 174.678 176.000 -0.206 0.000 0.987 130 Q CA -1.501 54.260 55.803 -0.070 0.000 0.852 130 Q CB 2.326 31.015 28.738 -0.082 0.000 1.287 130 Q HN 0.278 8.206 8.270 -0.570 0.000 0.448 131 L N 2.535 123.830 121.223 0.121 0.000 2.467 131 L HA -0.019 4.564 4.340 0.163 -0.146 0.270 131 L C 1.229 178.110 176.870 0.019 0.000 1.205 131 L CA -0.249 54.662 54.840 0.118 0.000 0.828 131 L CB 0.609 42.779 42.059 0.185 0.000 1.101 131 L HN 0.191 8.580 8.230 0.266 0.000 0.479 132 S N 1.588 117.296 115.700 0.014 0.000 2.587 132 S HA -0.097 4.358 4.470 -0.025 0.000 0.260 132 S C 1.160 175.766 174.600 0.011 0.000 1.353 132 S CA -0.405 57.792 58.200 -0.005 0.000 0.995 132 S CB 1.630 64.826 63.200 -0.007 0.000 0.912 132 S HN -0.210 8.379 8.310 0.036 -0.257 0.568 133 A N 1.989 124.810 122.820 0.001 0.000 1.873 133 A HA -0.319 4.008 4.320 0.012 0.000 0.218 133 A C 2.118 179.710 177.584 0.014 0.000 1.193 133 A CA 3.528 55.570 52.037 0.008 0.000 0.629 133 A CB -0.831 18.169 19.000 0.000 0.000 0.826 133 A HN 0.624 8.770 8.150 -0.007 0.000 0.447 134 N N -2.023 116.680 118.700 0.006 0.000 2.166 134 N HA -0.290 4.455 4.740 0.010 0.000 0.186 134 N C 1.996 177.518 175.510 0.020 0.000 1.019 134 N CA 3.186 56.241 53.050 0.007 0.000 0.856 134 N CB -0.351 38.132 38.487 -0.007 0.000 0.993 134 N HN 0.101 8.481 8.380 -0.001 0.000 0.426 135 A N -0.388 122.446 122.820 0.022 0.000 1.898 135 A HA -0.246 4.096 4.320 0.037 0.000 0.216 135 A C 1.880 179.510 177.584 0.076 0.000 1.181 135 A CA 2.956 55.018 52.037 0.041 0.000 0.620 135 A CB -0.512 18.509 19.000 0.035 0.000 0.819 135 A HN -0.377 7.783 8.150 0.016 0.000 0.442 136 N N -1.238 117.508 118.700 0.076 0.000 2.166 136 N HA -0.367 4.448 4.740 0.125 0.000 0.186 136 N C 1.964 177.516 175.510 0.071 0.000 1.019 136 N CA 3.356 56.461 53.050 0.092 0.000 0.856 136 N CB 0.070 38.604 38.487 0.079 0.000 0.993 136 N HN -0.257 8.161 8.380 0.063 0.000 0.426 137 A N 0.108 122.958 122.820 0.051 0.000 1.933 137 A HA -0.231 4.111 4.320 0.037 0.000 0.218 137 A C 1.873 179.485 177.584 0.046 0.000 1.175 137 A CA 2.952 55.013 52.037 0.040 0.000 0.628 137 A CB -0.682 18.334 19.000 0.027 0.000 0.814 137 A HN -0.618 7.558 8.150 0.044 0.000 0.444 138 V N -0.292 119.658 119.914 0.059 0.000 2.295 138 V HA -0.501 3.655 4.120 0.059 0.000 0.246 138 V C 1.595 177.735 176.094 0.078 0.000 1.049 138 V CA 4.062 66.407 62.300 0.075 0.000 1.024 138 V CB -0.038 31.853 31.823 0.113 0.000 0.648 138 V HN -0.557 7.586 8.190 0.060 0.084 0.447 139 L N -0.609 120.671 121.223 0.095 0.000 2.046 139 L HA -0.336 4.057 4.340 0.089 0.000 0.208 139 L C 1.387 178.295 176.870 0.063 0.000 1.077 139 L CA 2.811 57.709 54.840 0.096 0.000 0.747 139 L CB -0.791 41.357 42.059 0.147 0.000 0.896 139 L HN -0.289 8.002 8.230 0.103 0.000 0.432 140 A N -1.650 121.204 122.820 0.056 0.000 1.908 140 A HA -0.350 3.990 4.320 0.032 0.000 0.218 140 A C 2.048 179.644 177.584 0.020 0.000 1.181 140 A CA 3.063 55.121 52.037 0.034 0.000 0.627 140 A CB -0.826 18.192 19.000 0.030 0.000 0.818 140 A HN -0.093 8.095 8.150 0.063 0.000 0.445 141 T N 1.160 115.726 114.554 0.020 0.000 2.684 141 T HA -0.425 3.927 4.350 0.004 0.000 0.267 141 T C 2.495 177.192 174.700 -0.004 0.000 1.036 141 T CA 4.530 66.635 62.100 0.007 0.000 1.148 141 T CB -0.108 68.764 68.868 0.008 0.000 0.863 141 T HN -0.545 7.711 8.240 0.028 0.000 0.436 142 I N 1.793 122.362 120.570 -0.001 0.000 2.179 142 I HA -0.487 3.662 4.170 -0.034 0.000 0.242 142 I C 1.804 177.908 176.117 -0.022 0.000 1.088 142 I CA 3.837 65.124 61.300 -0.021 0.000 1.357 142 I CB -0.172 37.816 38.000 -0.021 0.000 1.051 142 I HN -0.479 7.738 8.210 0.012 0.000 0.409 143 Q N -3.186 116.610 119.800 -0.007 0.000 2.364 143 Q HA -0.233 4.092 4.340 -0.024 0.000 0.207 143 Q C 1.529 177.517 176.000 -0.018 0.000 0.970 143 Q CA 1.894 57.689 55.803 -0.014 0.000 0.888 143 Q CB -0.072 28.665 28.738 -0.003 0.000 0.951 143 Q HN -0.198 8.075 8.270 0.005 0.000 0.469 144 G N -3.174 105.618 108.800 -0.014 0.000 2.712 144 G HA2 -0.042 3.910 3.960 -0.014 0.000 0.212 144 G HA3 -0.042 3.912 3.960 -0.010 0.000 0.212 144 G C -0.025 174.864 174.900 -0.019 0.000 1.142 144 G CA -0.191 44.901 45.100 -0.014 0.000 0.789 144 G HN -0.645 7.505 8.290 -0.010 0.133 0.535 145 L N -0.682 120.526 121.223 -0.026 0.000 2.439 145 L HA -0.019 4.308 4.340 -0.022 0.000 0.261 145 L C 0.282 177.132 176.870 -0.033 0.000 1.153 145 L CA -0.531 54.291 54.840 -0.028 0.000 0.808 145 L CB 0.691 42.727 42.059 -0.037 0.000 1.126 145 L HN -0.776 7.287 8.230 -0.028 0.150 0.460 146 E N -0.295 119.888 120.200 -0.028 0.000 2.436 146 E HA -0.145 4.185 4.350 -0.033 0.000 0.262 146 E C 0.773 177.339 176.600 -0.056 0.000 1.063 146 E CA 0.376 56.756 56.400 -0.034 0.000 0.944 146 E CB 0.742 30.429 29.700 -0.021 0.000 0.950 146 E HN 0.024 8.498 8.360 -0.021 -0.127 0.444 147 S N 1.406 117.062 115.700 -0.073 0.000 2.383 147 S HA -0.306 4.267 4.470 -0.130 -0.181 0.229 147 S C 1.939 176.457 174.600 -0.135 0.000 1.030 147 S CA 3.305 61.432 58.200 -0.121 0.000 1.002 147 S CB -0.074 63.042 63.200 -0.140 0.000 0.829 147 S HN 0.372 8.643 8.310 -0.064 0.000 0.467 148 G N -0.269 108.479 108.800 -0.086 0.000 2.422 148 G HA2 -0.233 3.673 3.960 -0.089 0.000 0.218 148 G HA3 -0.233 3.705 3.960 -0.036 0.000 0.218 148 G C 0.828 175.706 174.900 -0.038 0.000 1.140 148 G CA 1.532 46.593 45.100 -0.064 0.000 0.775 148 G HN 0.530 8.772 8.290 -0.065 0.009 0.545 149 Q N 1.437 121.219 119.800 -0.029 0.000 2.123 149 Q HA -0.338 4.014 4.340 0.021 0.000 0.199 149 Q C 2.653 178.623 176.000 -0.051 0.000 0.966 149 Q CA 3.262 59.057 55.803 -0.014 0.000 0.845 149 Q CB -0.264 28.469 28.738 -0.009 0.000 0.907 149 Q HN -0.595 7.655 8.270 -0.033 0.000 0.439 150 Q N -0.311 119.442 119.800 -0.078 0.000 2.061 150 Q HA -0.322 3.965 4.340 -0.088 0.000 0.204 150 Q C 2.684 178.620 176.000 -0.107 0.000 0.984 150 Q CA 3.372 59.117 55.803 -0.097 0.000 0.846 150 Q CB -0.002 28.669 28.738 -0.111 0.000 0.902 150 Q HN -0.215 8.006 8.270 -0.082 0.000 0.421 151 I N -6.023 114.465 120.570 -0.137 0.000 2.493 151 I HA -0.286 3.828 4.170 -0.093 0.000 0.254 151 I C 1.528 177.629 176.117 -0.027 0.000 1.160 151 I CA 3.233 64.467 61.300 -0.110 0.000 1.445 151 I CB -0.538 37.328 38.000 -0.224 0.000 1.086 151 I HN -0.451 7.660 8.210 -0.166 0.000 0.433 152 T N 3.811 118.357 114.554 -0.012 0.000 2.857 152 T HA -0.321 4.063 4.350 0.056 0.000 0.266 152 T C 1.643 176.331 174.700 -0.020 0.000 1.048 152 T CA 5.062 67.182 62.100 0.032 0.000 1.139 152 T CB -0.143 68.785 68.868 0.101 0.000 0.874 152 T HN -0.828 7.291 8.240 -0.022 0.107 0.455 153 V N 2.706 122.575 119.914 -0.075 0.000 2.287 153 V HA -0.576 3.454 4.120 -0.149 0.000 0.248 153 V C 1.446 177.430 176.094 -0.184 0.000 1.053 153 V CA 4.959 67.172 62.300 -0.144 0.000 1.027 153 V CB -0.267 31.458 31.823 -0.163 0.000 0.646 153 V HN -0.282 7.865 8.190 -0.072 0.000 0.447 154 L N -2.019 119.116 121.223 -0.147 0.000 2.046 154 L HA -0.406 3.792 4.340 -0.238 0.000 0.208 154 L C 2.377 179.183 176.870 -0.106 0.000 1.077 154 L CA 2.882 57.631 54.840 -0.151 0.000 0.747 154 L CB -0.667 41.357 42.059 -0.059 0.000 0.896 154 L HN -0.636 7.526 8.230 -0.115 0.000 0.432 155 L N -0.827 120.368 121.223 -0.047 0.000 2.012 155 L HA -0.470 3.858 4.340 -0.020 0.000 0.210 155 L C 1.261 178.133 176.870 0.004 0.000 1.073 155 L CA 3.660 58.494 54.840 -0.010 0.000 0.748 155 L CB -0.397 41.682 42.059 0.033 0.000 0.891 155 L HN -0.045 8.166 8.230 -0.032 0.000 0.431 156 N N -1.512 117.180 118.700 -0.013 0.000 2.188 156 N HA -0.375 4.392 4.740 0.046 0.000 0.184 156 N C 1.935 177.435 175.510 -0.017 0.000 1.018 156 N CA 3.565 56.617 53.050 0.004 0.000 0.858 156 N CB 0.049 38.531 38.487 -0.007 0.000 0.989 156 N HN -0.322 8.041 8.380 -0.028 0.000 0.426 157 A N 0.227 122.967 122.820 -0.132 0.000 1.908 157 A HA -0.265 4.010 4.320 -0.074 0.000 0.218 157 A C 1.565 179.147 177.584 -0.004 0.000 1.181 157 A CA 2.896 54.832 52.037 -0.169 0.000 0.627 157 A CB -0.433 18.205 19.000 -0.603 0.000 0.818 157 A HN -0.360 7.673 8.150 -0.196 0.000 0.445 158 V N -1.983 117.930 119.914 -0.001 0.000 2.307 158 V HA -0.480 3.720 4.120 0.134 0.000 0.245 158 V C 2.564 178.848 176.094 0.318 0.000 1.045 158 V CA 3.966 66.358 62.300 0.153 0.000 1.024 158 V CB 0.167 32.079 31.823 0.147 0.000 0.651 158 V HN -0.562 7.602 8.190 -0.044 0.000 0.449 159 V N 0.759 120.792 119.914 0.199 0.000 2.490 159 V HA -0.524 3.723 4.120 0.212 0.000 0.250 159 V C 1.653 177.880 176.094 0.223 0.000 1.061 159 V CA 4.384 66.802 62.300 0.198 0.000 1.064 159 V CB -0.343 31.558 31.823 0.130 0.000 0.670 159 V HN -0.165 8.105 8.190 0.133 0.000 0.461 160 D N -2.598 117.914 120.400 0.187 0.000 2.371 160 D HA -0.130 4.592 4.640 0.137 0.000 0.221 160 D C 0.135 176.551 176.300 0.194 0.000 0.986 160 D CA 1.104 55.202 54.000 0.163 0.000 0.899 160 D CB -0.323 40.557 40.800 0.134 0.000 0.902 160 D HN -0.505 7.946 8.370 0.161 0.016 0.530 161 M N -1.769 117.997 119.600 0.276 0.000 2.163 161 M HA -0.299 4.318 4.480 0.128 -0.061 0.305 161 M C 0.162 176.578 176.300 0.193 0.000 1.166 161 M CA 1.519 56.931 55.300 0.187 0.000 1.132 161 M CB 1.686 34.352 32.600 0.109 0.000 1.413 161 M HN -0.892 7.558 8.290 0.349 0.049 0.478 162 G N -3.007 105.801 108.800 0.014 0.000 2.660 162 G HA2 -0.290 3.646 3.960 -0.040 0.000 0.247 162 G HA3 -0.290 3.799 3.960 0.216 0.000 0.247 162 G C -2.262 172.740 174.900 0.170 0.000 1.328 162 G CA -0.652 44.490 45.100 0.071 0.000 0.884 162 G HN -0.226 8.043 8.290 -0.036 0.000 0.531 163 F N -1.029 118.919 119.950 -0.003 0.000 2.579 163 F HA 0.336 4.863 4.527 -0.000 0.000 0.325 163 F C -0.905 174.887 175.800 -0.014 0.000 1.162 163 F CA -0.203 57.790 58.000 -0.011 0.000 0.946 163 F CB 1.964 40.945 39.000 -0.032 0.000 1.211 163 F HN -0.179 8.142 8.300 0.196 0.096 0.447 171 R N 3.483 124.002 120.500 0.031 0.000 2.502 171 R HA 0.614 5.145 4.340 0.050 -0.161 0.300 171 R C -1.469 174.866 176.300 0.059 0.000 0.984 171 R CA -0.581 55.545 56.100 0.042 0.000 0.882 171 R CB 1.605 31.921 30.300 0.026 0.000 1.180 171 R HN 0.005 8.292 8.270 0.028 0.000 0.444 172 I N 5.364 125.996 120.570 0.103 0.000 2.378 172 I HA 0.263 4.474 4.170 0.068 0.000 0.291 172 I C -1.877 174.275 176.117 0.059 0.000 0.992 172 I CA -0.731 60.631 61.300 0.104 0.000 1.154 172 I CB 1.824 39.953 38.000 0.214 0.000 1.315 172 I HN 0.436 8.726 8.210 0.133 0.000 0.448 173 A N 6.359 129.183 122.820 0.008 0.000 2.532 173 A HA 0.386 4.690 4.320 -0.027 0.000 0.290 173 A C -1.207 176.351 177.584 -0.045 0.000 1.143 173 A CA -1.374 50.650 52.037 -0.022 0.000 0.728 173 A CB 2.490 21.478 19.000 -0.021 0.000 1.317 173 A HN 0.180 8.334 8.150 0.006 0.000 0.414 174 E N 0.884 121.049 120.200 -0.057 0.000 2.408 174 E HA 0.102 4.411 4.350 -0.069 0.000 0.259 174 E C -1.691 174.884 176.600 -0.041 0.000 1.110 174 E CA -1.410 54.953 56.400 -0.061 0.000 0.929 174 E CB -0.444 29.214 29.700 -0.071 0.000 0.971 174 E HN 0.291 8.617 8.360 -0.057 0.000 0.438 175 P HA -0.094 4.318 4.420 -0.013 0.000 0.268 175 P C -1.144 176.153 177.300 -0.005 0.000 1.208 175 P CA -0.054 63.035 63.100 -0.019 0.000 0.777 175 P CB 0.428 32.115 31.700 -0.022 0.000 0.875 176 V N 0.768 120.693 119.914 0.019 0.000 2.555 176 V HA -0.192 4.144 4.120 0.077 -0.170 0.286 176 V C 0.613 176.736 176.094 0.049 0.000 1.044 176 V CA -0.260 62.078 62.300 0.063 0.000 1.026 176 V CB 0.489 32.373 31.823 0.102 0.000 0.981 176 V HN 0.006 8.207 8.190 0.018 0.000 0.480 177 V N 4.468 124.415 119.914 0.056 0.000 2.775 177 V HA 0.271 4.385 4.120 -0.009 0.000 0.299 177 V C -1.552 174.534 176.094 -0.013 0.000 1.062 177 V CA -2.723 59.580 62.300 0.006 0.000 1.063 177 V CB -0.503 31.311 31.823 -0.014 0.000 0.994 177 V HN 0.171 8.748 8.190 0.092 -0.332 0.483 178 P HA 0.299 4.693 4.420 -0.043 0.000 0.275 178 P C -2.151 175.090 177.300 -0.099 0.000 1.228 178 P CA -1.530 61.537 63.100 -0.054 0.000 0.786 178 P CB -0.414 31.259 31.700 -0.045 0.000 0.927 179 P HA -0.136 4.253 4.420 -0.253 -0.121 0.268 179 P C -0.736 176.482 177.300 -0.137 0.000 1.208 179 P CA -0.352 62.636 63.100 -0.185 0.000 0.777 179 P CB 0.943 32.534 31.700 -0.182 0.000 0.875 180 Q N 2.023 121.735 119.800 -0.147 0.000 2.315 180 Q HA -0.250 4.033 4.340 -0.095 0.000 0.289 180 Q C 0.099 176.044 176.000 -0.091 0.000 1.044 180 Q CA 0.274 56.012 55.803 -0.109 0.000 0.920 180 Q CB 1.235 29.907 28.738 -0.110 0.000 1.214 180 Q HN 0.064 8.227 8.270 -0.179 0.000 0.392 181 D N 5.051 125.408 120.400 -0.071 0.000 2.488 181 D HA -0.136 4.468 4.640 -0.060 0.000 0.238 181 D C 1.065 177.330 176.300 -0.059 0.000 1.138 181 D CA 0.951 54.915 54.000 -0.059 0.000 0.873 181 D CB 1.181 41.952 40.800 -0.048 0.000 1.183 181 D HN 0.262 8.592 8.370 -0.066 0.000 0.458 182 T N 3.320 117.842 114.554 -0.055 0.000 2.833 182 T HA -0.333 3.981 4.350 -0.061 0.000 0.269 182 T C 1.654 176.327 174.700 -0.046 0.000 1.054 182 T CA 3.554 65.622 62.100 -0.053 0.000 1.135 182 T CB -0.143 68.696 68.868 -0.047 0.000 0.869 182 T HN 0.161 8.370 8.240 -0.051 0.000 0.466 183 A N 0.602 123.398 122.820 -0.040 0.000 2.067 183 A HA -0.045 4.255 4.320 -0.033 0.000 0.219 183 A C 0.976 178.539 177.584 -0.036 0.000 1.158 183 A CA 2.051 54.067 52.037 -0.035 0.000 0.661 183 A CB -0.713 18.269 19.000 -0.030 0.000 0.801 183 A HN 0.118 8.244 8.150 -0.039 0.000 0.452 184 S N -3.287 112.389 115.700 -0.041 0.000 2.524 184 S HA -0.020 4.428 4.470 -0.036 0.000 0.216 184 S C -0.130 174.443 174.600 -0.046 0.000 0.987 184 S CA -0.134 58.042 58.200 -0.041 0.000 0.909 184 S CB 0.829 64.003 63.200 -0.044 0.000 0.781 184 S HN -0.516 7.723 8.310 -0.045 0.044 0.521 185 R N 1.491 121.960 120.500 -0.052 0.000 2.543 185 R HA -0.037 4.267 4.340 -0.061 0.000 0.277 185 R C -0.276 175.995 176.300 -0.049 0.000 1.074 185 R CA 0.659 56.724 56.100 -0.058 0.000 1.076 185 R CB 0.567 30.826 30.300 -0.067 0.000 0.993 185 R HN -0.766 7.473 8.270 -0.052 0.000 0.459 186 T N -1.709 112.816 114.554 -0.048 0.000 2.944 186 T HA 0.210 4.537 4.350 -0.038 0.000 0.284 186 T C -0.484 174.188 174.700 -0.047 0.000 1.010 186 T CA -1.119 60.957 62.100 -0.041 0.000 1.025 186 T CB 1.396 70.244 68.868 -0.034 0.000 1.079 186 T HN -0.117 8.092 8.240 -0.051 0.000 0.516 187 K N 1.932 122.306 120.400 -0.042 0.000 2.270 187 K HA 0.210 4.668 4.320 -0.054 -0.171 0.255 187 K C -0.078 176.495 176.600 -0.045 0.000 0.936 187 K CA -1.200 55.059 56.287 -0.048 0.000 0.809 187 K CB 2.308 34.781 32.500 -0.046 0.000 1.131 187 K HN 0.052 8.279 8.250 -0.037 0.000 0.427 188 V N -0.264 119.618 119.914 -0.055 0.000 3.133 188 V HA 0.161 4.255 4.120 -0.042 0.000 0.305 188 V C -0.771 175.291 176.094 -0.053 0.000 1.084 188 V CA -0.180 62.087 62.300 -0.054 0.000 1.089 188 V CB 0.811 32.589 31.823 -0.075 0.000 1.073 188 V HN 0.235 8.707 8.190 -0.062 -0.320 0.477 189 S N 2.162 117.834 115.700 -0.045 0.000 2.532 189 S HA 0.181 4.623 4.470 -0.047 0.000 0.299 189 S C -1.089 173.486 174.600 -0.042 0.000 1.105 189 S CA -0.652 57.523 58.200 -0.042 0.000 1.018 189 S CB 1.327 64.510 63.200 -0.028 0.000 1.021 189 S HN -0.085 8.202 8.310 -0.039 0.000 0.483 190 I N 6.412 126.953 120.570 -0.048 0.000 2.447 190 I HA 0.160 4.435 4.170 -0.032 -0.125 0.287 190 I C -0.988 175.111 176.117 -0.029 0.000 1.023 190 I CA -0.704 60.570 61.300 -0.043 0.000 1.083 190 I CB 2.752 40.709 38.000 -0.072 0.000 1.245 190 I HN 0.554 8.733 8.210 -0.051 0.000 0.434 191 E N 8.048 128.240 120.200 -0.013 0.000 2.480 191 E HA -0.187 4.157 4.350 -0.009 0.000 0.258 191 E C 0.690 177.285 176.600 -0.008 0.000 0.984 191 E CA 1.583 57.979 56.400 -0.007 0.000 0.930 191 E CB 0.304 30.006 29.700 0.003 0.000 0.936 191 E HN 0.166 8.522 8.360 -0.007 0.000 0.466 192 G N 2.490 111.285 108.800 -0.009 0.000 2.225 192 G HA2 -0.344 3.615 3.960 -0.003 0.000 0.254 192 G HA3 -0.344 3.617 3.960 0.001 0.000 0.254 192 G C -0.824 174.067 174.900 -0.015 0.000 0.988 192 G CA 0.286 45.382 45.100 -0.006 0.000 0.625 192 G HN 0.517 8.801 8.290 -0.010 0.000 0.527 193 V N 2.375 122.270 119.914 -0.031 0.000 2.409 193 V HA 0.275 4.369 4.120 -0.044 0.000 0.290 193 V C -1.208 174.847 176.094 -0.064 0.000 1.017 193 V CA -1.075 61.194 62.300 -0.051 0.000 0.841 193 V CB 1.232 33.012 31.823 -0.072 0.000 1.003 193 V HN -0.607 7.505 8.190 -0.032 0.059 0.426 194 T N 1.146 115.663 114.554 -0.061 0.000 3.044 194 T HA 0.022 4.331 4.350 -0.068 0.000 0.260 194 T C -0.116 174.535 174.700 -0.082 0.000 1.019 194 T CA -0.830 61.231 62.100 -0.065 0.000 0.921 194 T CB 0.518 69.358 68.868 -0.047 0.000 1.053 194 T HN 0.243 8.450 8.240 -0.054 0.000 0.533 195 N N 2.570 121.209 118.700 -0.102 0.000 2.365 195 N HA -0.178 4.503 4.740 -0.099 0.000 0.265 195 N C 0.565 175.990 175.510 -0.142 0.000 1.288 195 N CA 0.584 53.560 53.050 -0.124 0.000 0.869 195 N CB 1.268 39.659 38.487 -0.160 0.000 1.071 195 N HN -0.442 7.877 8.380 -0.101 0.000 0.480 196 A N 7.123 129.876 122.820 -0.111 0.000 1.969 196 A HA -0.214 4.050 4.320 -0.094 0.000 0.218 196 A C 2.060 179.573 177.584 -0.118 0.000 1.169 196 A CA 2.989 54.966 52.037 -0.099 0.000 0.635 196 A CB 0.114 19.071 19.000 -0.071 0.000 0.810 196 A HN 0.666 8.758 8.150 -0.096 0.000 0.445 197 T N 1.772 116.238 114.554 -0.147 0.000 2.777 197 T HA -0.384 3.905 4.350 -0.101 0.000 0.266 197 T C 1.965 176.519 174.700 -0.243 0.000 1.040 197 T CA 4.766 66.771 62.100 -0.159 0.000 1.141 197 T CB -0.186 68.579 68.868 -0.172 0.000 0.868 197 T HN -0.602 7.698 8.240 -0.149 -0.150 0.444 198 V N 2.095 121.754 119.914 -0.424 0.000 2.295 198 V HA -0.512 3.031 4.120 -0.961 0.000 0.246 198 V C 1.453 177.375 176.094 -0.286 0.000 1.049 198 V CA 4.498 66.409 62.300 -0.649 0.000 1.024 198 V CB -0.231 31.137 31.823 -0.757 0.000 0.648 198 V HN -0.591 7.604 8.190 -0.401 -0.245 0.447 199 L N -1.906 119.194 121.223 -0.204 0.000 2.056 199 L HA -0.411 3.848 4.340 -0.135 0.000 0.207 199 L C 2.024 178.847 176.870 -0.079 0.000 1.078 199 L CA 3.424 58.186 54.840 -0.129 0.000 0.749 199 L CB -0.763 41.229 42.059 -0.110 0.000 0.901 199 L HN -0.288 7.817 8.230 -0.208 0.000 0.433 200 N N -1.289 117.373 118.700 -0.063 0.000 2.244 200 N HA -0.279 4.432 4.740 -0.049 0.000 0.183 200 N C 2.218 177.731 175.510 0.005 0.000 1.016 200 N CA 2.890 55.919 53.050 -0.035 0.000 0.866 200 N CB -0.219 38.252 38.487 -0.026 0.000 0.980 200 N HN -0.155 8.177 8.380 -0.080 0.000 0.430 201 Y N 2.799 123.043 120.300 -0.092 0.000 2.097 201 Y HA -0.445 4.121 4.550 0.027 0.000 0.282 201 Y C 1.694 177.573 175.900 -0.034 0.000 1.152 201 Y CA 4.207 62.300 58.100 -0.011 0.000 1.136 201 Y CB 0.293 38.796 38.460 0.072 0.000 0.975 201 Y HN -0.032 8.314 8.280 0.110 0.000 0.498 202 M N -3.214 116.437 119.600 0.084 0.000 2.132 202 M HA -0.414 4.035 4.480 -0.052 0.000 0.263 202 M C 2.485 178.716 176.300 -0.114 0.000 1.065 202 M CA 2.879 58.150 55.300 -0.049 0.000 1.122 202 M CB -1.146 31.394 32.600 -0.101 0.000 1.365 202 M HN -0.532 7.826 8.290 0.113 0.000 0.411 203 D N -0.495 119.845 120.400 -0.099 0.000 2.149 203 D HA -0.166 4.416 4.640 -0.097 0.000 0.201 203 D C 2.724 178.941 176.300 -0.139 0.000 0.972 203 D CA 3.198 57.135 54.000 -0.104 0.000 0.835 203 D CB -0.566 40.183 40.800 -0.085 0.000 0.966 203 D HN -0.164 8.158 8.370 -0.080 0.000 0.476 204 N N -0.075 118.527 118.700 -0.162 0.000 2.270 204 N HA -0.184 4.438 4.740 -0.195 0.000 0.181 204 N C 2.184 177.517 175.510 -0.296 0.000 1.016 204 N CA 2.783 55.707 53.050 -0.210 0.000 0.870 204 N CB 0.310 38.691 38.487 -0.177 0.000 0.979 204 N HN -0.280 8.013 8.380 -0.145 0.000 0.431 205 L N 1.045 122.078 121.223 -0.316 0.000 2.056 205 L HA -0.236 3.906 4.340 -0.330 0.000 0.207 205 L C 1.930 178.686 176.870 -0.191 0.000 1.078 205 L CA 3.113 57.775 54.840 -0.297 0.000 0.749 205 L CB -0.206 41.649 42.059 -0.340 0.000 0.901 205 L HN -0.150 7.884 8.230 -0.326 0.000 0.433 206 N N -0.813 117.799 118.700 -0.146 0.000 2.364 206 N HA -0.252 4.449 4.740 -0.065 0.000 0.183 206 N C 0.306 175.736 175.510 -0.134 0.000 1.022 206 N CA 2.141 55.132 53.050 -0.100 0.000 0.883 206 N CB -0.003 38.441 38.487 -0.071 0.000 0.965 206 N HN -0.318 7.973 8.380 -0.147 0.000 0.438 207 A N -5.447 117.259 122.820 -0.191 0.000 2.308 207 A HA 0.133 4.492 4.320 -0.168 -0.140 0.217 207 A C -1.203 176.185 177.584 -0.325 0.000 1.216 207 A CA -0.799 51.111 52.037 -0.211 0.000 0.864 207 A CB 0.870 19.757 19.000 -0.188 0.000 0.902 207 A HN -0.863 7.020 8.150 -0.209 0.141 0.499 208 N N -5.031 113.393 118.700 -0.460 0.000 2.725 208 N HA -0.383 3.629 4.740 -1.214 0.000 0.249 208 N C -1.737 173.048 175.510 -1.209 0.000 1.103 208 N CA 1.322 53.819 53.050 -0.922 0.000 0.707 208 N CB -1.612 36.557 38.487 -0.529 0.000 1.043 208 N HN -0.161 7.829 8.380 -0.381 0.162 0.553 209 D N -0.752 119.168 120.400 -0.800 0.000 2.564 209 D HA 0.180 4.538 4.640 -0.469 0.000 0.226 209 D C -0.327 175.717 176.300 -0.425 0.000 1.149 209 D CA -2.081 51.611 54.000 -0.514 0.000 0.994 209 D CB -1.403 39.228 40.800 -0.283 0.000 1.029 209 D HN -0.461 7.509 8.370 -0.636 0.019 0.517 210 F N 1.698 121.574 119.950 -0.124 0.000 2.259 210 F HA -0.274 4.080 4.527 -0.288 0.000 0.298 210 F C 1.518 177.312 175.800 -0.010 0.000 1.088 210 F CA 2.971 60.892 58.000 -0.132 0.000 1.358 210 F CB -0.284 38.693 39.000 -0.039 0.000 1.040 210 F HN -0.593 7.319 8.300 -0.647 0.000 0.505 211 D N -0.616 119.876 120.400 0.153 0.000 2.123 211 D HA -0.270 4.463 4.640 0.156 0.000 0.196 211 D C 2.331 178.687 176.300 0.093 0.000 0.992 211 D CA 3.656 57.728 54.000 0.120 0.000 0.833 211 D CB -0.851 39.993 40.800 0.074 0.000 0.954 211 D HN 0.259 8.696 8.370 0.112 0.000 0.455 212 T N 1.706 116.282 114.554 0.036 0.000 2.857 212 T HA -0.247 4.133 4.350 0.050 0.000 0.266 212 T C 1.526 176.272 174.700 0.078 0.000 1.048 212 T CA 3.282 65.402 62.100 0.034 0.000 1.139 212 T CB 0.213 69.069 68.868 -0.020 0.000 0.874 212 T HN -0.822 7.626 8.240 -0.005 -0.211 0.455 213 L N 1.528 122.783 121.223 0.054 0.000 2.046 213 L HA -0.223 4.171 4.340 0.089 0.000 0.208 213 L C 1.351 178.447 176.870 0.376 0.000 1.077 213 L CA 2.908 57.809 54.840 0.101 0.000 0.747 213 L CB -0.049 41.917 42.059 -0.154 0.000 0.896 213 L HN -0.507 7.725 8.230 0.004 0.000 0.432 214 I N -1.245 119.551 120.570 0.377 0.000 2.493 214 I HA -0.354 4.196 4.170 0.633 0.000 0.254 214 I C 1.293 177.674 176.117 0.440 0.000 1.160 214 I CA 1.905 63.489 61.300 0.473 0.000 1.445 214 I CB -0.195 37.992 38.000 0.311 0.000 1.086 214 I HN -0.271 8.111 8.210 0.286 0.000 0.433 215 E N -0.206 120.172 120.200 0.296 0.000 2.409 215 E HA -0.268 4.211 4.350 0.215 0.000 0.198 215 E C 1.259 177.998 176.600 0.231 0.000 1.024 215 E CA 2.342 58.877 56.400 0.225 0.000 0.861 215 E CB -0.588 29.196 29.700 0.140 0.000 0.788 215 E HN -0.439 8.048 8.360 0.247 0.021 0.521 216 L N -2.972 118.426 121.223 0.291 0.000 2.492 216 L HA -0.106 4.293 4.340 0.097 0.000 0.223 216 L C -0.361 176.559 176.870 0.084 0.000 1.132 216 L CA 0.585 55.514 54.840 0.148 0.000 0.850 216 L CB 0.009 42.125 42.059 0.095 0.000 0.966 216 L HN -0.498 7.807 8.230 0.382 0.154 0.454 217 F N -2.150 117.918 119.950 0.196 0.000 2.375 217 F HA 0.124 4.911 4.527 0.210 -0.134 0.333 217 F C 0.385 176.281 175.800 0.160 0.000 1.104 217 F CA -0.189 57.927 58.000 0.193 0.000 1.149 217 F CB 1.809 40.925 39.000 0.195 0.000 1.190 217 F HN -0.684 7.953 8.300 0.644 0.050 0.533 218 T N -0.374 114.382 114.554 0.336 0.000 2.856 218 T HA -0.003 4.484 4.350 0.229 0.000 0.306 218 T C 1.448 176.310 174.700 0.269 0.000 1.062 218 T CA -0.380 61.891 62.100 0.285 0.000 1.083 218 T CB 0.910 69.983 68.868 0.343 0.000 0.984 218 T HN 0.110 8.545 8.240 0.324 0.000 0.542 219 S N 0.663 116.484 115.700 0.202 0.000 2.399 219 S HA -0.253 4.305 4.470 0.146 0.000 0.231 219 S C 0.674 175.356 174.600 0.136 0.000 1.022 219 S CA 3.069 61.360 58.200 0.153 0.000 0.983 219 S CB -0.741 62.531 63.200 0.120 0.000 0.803 219 S HN 0.572 8.995 8.310 0.188 0.000 0.480 220 D N -3.704 116.795 120.400 0.167 0.000 2.368 220 D HA 0.102 4.792 4.640 0.083 0.000 0.218 220 D C 0.446 176.788 176.300 0.069 0.000 1.112 220 D CA -1.477 52.596 54.000 0.122 0.000 0.834 220 D CB -1.125 39.774 40.800 0.165 0.000 0.953 220 D HN -0.259 8.218 8.370 0.211 0.020 0.505 221 G N -0.898 107.985 108.800 0.139 0.000 2.636 221 G HA2 0.038 4.127 3.960 -0.057 0.000 0.246 221 G HA3 0.038 4.208 3.960 0.350 0.000 0.246 221 G C -2.096 172.851 174.900 0.078 0.000 1.216 221 G CA -0.091 45.092 45.100 0.138 0.000 0.854 221 G HN -0.507 7.727 8.290 0.203 0.179 0.572 222 A N -0.409 122.463 122.820 0.087 0.000 2.479 222 A HA 1.051 5.485 4.320 -0.053 -0.146 0.296 222 A C -2.536 175.057 177.584 0.014 0.000 1.121 222 A CA -2.007 50.043 52.037 0.023 0.000 0.743 222 A CB 4.033 23.062 19.000 0.048 0.000 1.323 222 A HN -0.042 8.167 8.150 0.098 0.000 0.415 223 L N -0.325 120.814 121.223 -0.141 0.000 2.409 223 L HA 0.806 5.209 4.340 -0.231 -0.201 0.272 223 L C -2.289 174.399 176.870 -0.303 0.000 0.980 223 L CA -0.978 53.743 54.840 -0.198 0.000 0.826 223 L CB 4.171 46.158 42.059 -0.119 0.000 1.268 223 L HN 0.079 8.195 8.230 -0.190 0.000 0.407 224 Q N 7.022 126.603 119.800 -0.366 0.000 2.394 224 Q HA 0.625 4.826 4.340 -0.233 0.000 0.259 224 Q C -2.797 173.059 176.000 -0.240 0.000 1.021 224 Q CA -3.670 51.977 55.803 -0.259 0.000 0.805 224 Q CB 3.256 31.908 28.738 -0.143 0.000 1.226 224 Q HN 0.697 8.679 8.270 -0.481 0.000 0.476 225 P HA 0.246 4.599 4.420 -0.110 0.000 0.272 225 P C -2.119 175.070 177.300 -0.186 0.000 1.240 225 P CA -1.402 61.603 63.100 -0.158 0.000 0.791 225 P CB -0.286 31.338 31.700 -0.126 0.000 0.978 226 P HA -0.053 4.064 4.420 -0.667 -0.098 0.260 226 P C -0.668 176.408 177.300 -0.373 0.000 1.185 226 P CA 1.040 63.818 63.100 -0.537 0.000 0.763 226 P CB -0.125 31.247 31.700 -0.546 0.000 0.776 227 F N -2.388 117.548 119.950 -0.022 0.000 3.006 227 F HA -0.407 4.116 4.527 -0.008 0.000 0.289 227 F C -0.631 175.160 175.800 -0.015 0.000 0.772 227 F CA 1.499 59.491 58.000 -0.012 0.000 1.162 227 F CB -2.279 36.716 39.000 -0.008 0.000 1.382 227 F HN 0.444 8.409 8.300 -0.559 0.000 0.406 228 Q N -2.236 117.599 119.800 0.058 0.000 2.378 228 Q HA 0.375 4.744 4.340 0.048 0.000 0.276 228 Q C -0.581 175.411 176.000 -0.014 0.000 1.083 228 Q CA -1.628 54.186 55.803 0.018 0.000 0.856 228 Q CB 2.346 31.060 28.738 -0.039 0.000 1.383 228 Q HN -0.563 7.653 8.270 -0.017 0.044 0.458 229 R N -0.138 120.348 120.500 -0.023 0.000 2.637 229 R HA 0.161 4.504 4.340 0.005 0.000 0.269 229 R C -1.260 175.007 176.300 -0.055 0.000 1.089 229 R CA -2.342 53.746 56.100 -0.020 0.000 1.177 229 R CB -1.446 28.842 30.300 -0.019 0.000 1.091 229 R HN 0.228 8.484 8.270 -0.023 0.000 0.540 230 P HA -0.135 4.379 4.420 -0.045 -0.122 0.266 230 P C -0.869 176.369 177.300 -0.103 0.000 1.195 230 P CA 0.478 63.568 63.100 -0.017 0.000 0.768 230 P CB 0.337 32.102 31.700 0.108 0.000 0.838 231 I N 5.062 125.517 120.570 -0.192 0.000 2.315 231 I HA 0.062 4.116 4.170 -0.193 0.000 0.291 231 I C -0.993 175.015 176.117 -0.182 0.000 1.006 231 I CA -0.239 60.921 61.300 -0.234 0.000 1.265 231 I CB 1.069 38.827 38.000 -0.403 0.000 1.387 231 I HN 0.459 8.531 8.210 -0.231 0.000 0.475 232 V N 6.970 126.806 119.914 -0.130 0.000 2.459 232 V HA 0.223 4.289 4.120 -0.091 0.000 0.295 232 V C -0.211 175.830 176.094 -0.088 0.000 1.029 232 V CA -1.308 60.936 62.300 -0.093 0.000 0.874 232 V CB 1.576 33.364 31.823 -0.058 0.000 0.985 232 V HN 0.250 8.368 8.190 -0.120 0.000 0.438 233 G N 5.840 114.596 108.800 -0.074 0.000 2.712 233 G HA2 -0.325 3.811 3.960 -0.007 0.000 0.686 233 G HA3 -0.325 3.613 3.960 -0.036 0.000 0.686 233 G C -0.673 174.173 174.900 -0.091 0.000 1.181 233 G CA -0.475 44.597 45.100 -0.046 0.000 0.762 233 G HN 0.527 8.776 8.290 -0.068 0.000 0.641 234 K N 3.720 124.094 120.400 -0.044 0.000 2.097 234 K HA -0.439 3.796 4.320 -0.142 0.000 0.206 234 K C 1.765 178.316 176.600 -0.081 0.000 1.049 234 K CA 4.301 60.548 56.287 -0.068 0.000 0.933 234 K CB 0.089 32.604 32.500 0.025 0.000 0.717 234 K HN -0.152 8.098 8.250 0.001 0.000 0.442 235 E N -0.577 119.594 120.200 -0.048 0.000 2.038 235 E HA -0.363 3.971 4.350 -0.027 0.000 0.195 235 E C 2.150 178.704 176.600 -0.077 0.000 1.000 235 E CA 3.975 60.350 56.400 -0.042 0.000 0.803 235 E CB -0.464 29.222 29.700 -0.023 0.000 0.750 235 E HN 0.444 8.785 8.360 -0.031 0.000 0.448 236 N N -1.432 117.209 118.700 -0.099 0.000 2.188 236 N HA -0.234 4.454 4.740 -0.087 0.000 0.184 236 N C 2.715 178.112 175.510 -0.187 0.000 1.018 236 N CA 2.789 55.768 53.050 -0.118 0.000 0.858 236 N CB -0.559 37.858 38.487 -0.116 0.000 0.989 236 N HN -0.496 7.829 8.380 -0.091 0.000 0.426 237 V N 0.741 120.476 119.914 -0.297 0.000 2.379 237 V HA -0.433 3.383 4.120 -0.507 0.000 0.245 237 V C 1.431 177.155 176.094 -0.617 0.000 1.044 237 V CA 4.379 66.354 62.300 -0.541 0.000 1.036 237 V CB 0.021 31.393 31.823 -0.751 0.000 0.664 237 V HN -0.440 7.585 8.190 -0.275 0.000 0.453 238 L N 0.101 121.133 121.223 -0.317 0.000 2.046 238 L HA -0.320 4.056 4.340 0.059 0.000 0.208 238 L C 1.058 177.872 176.870 -0.093 0.000 1.077 238 L CA 3.271 58.061 54.840 -0.083 0.000 0.747 238 L CB -0.438 41.642 42.059 0.036 0.000 0.896 238 L HN -0.024 8.060 8.230 -0.244 0.000 0.432 239 R N -1.219 119.225 120.500 -0.094 0.000 2.081 239 R HA -0.422 3.880 4.340 -0.063 0.000 0.235 239 R C 2.156 178.408 176.300 -0.080 0.000 1.131 239 R CA 3.600 59.659 56.100 -0.068 0.000 0.960 239 R CB -0.221 30.056 30.300 -0.038 0.000 0.856 239 R HN -0.493 7.718 8.270 -0.097 0.000 0.436 240 F N 0.622 120.415 119.950 -0.262 0.000 2.134 240 F HA -0.310 4.112 4.527 -0.175 0.000 0.299 240 F C 2.139 177.801 175.800 -0.231 0.000 1.097 240 F CA 3.048 60.896 58.000 -0.254 0.000 1.264 240 F CB -0.116 38.688 39.000 -0.326 0.000 1.001 240 F HN -0.432 7.855 8.300 -0.021 0.000 0.479 241 F N -0.992 118.738 119.950 -0.367 0.000 2.095 241 F HA -0.374 3.731 4.527 -0.703 0.000 0.298 241 F C 2.448 177.587 175.800 -1.102 0.000 1.104 241 F CA 2.493 60.049 58.000 -0.739 0.000 1.232 241 F CB -1.091 37.516 39.000 -0.654 0.000 0.987 241 F HN -0.185 7.895 8.300 -0.366 0.000 0.475 242 R N -2.885 117.261 120.500 -0.591 0.000 2.115 242 R HA -0.340 3.578 4.340 -0.704 0.000 0.230 242 R C 1.980 178.101 176.300 -0.299 0.000 1.111 242 R CA 3.447 59.256 56.100 -0.485 0.000 0.976 242 R CB -0.136 30.050 30.300 -0.190 0.000 0.870 242 R HN -0.450 7.601 8.270 -0.366 0.000 0.445 243 E N -3.817 116.225 120.200 -0.265 0.000 2.250 243 E HA -0.148 4.129 4.350 -0.122 0.000 0.192 243 E C 0.647 177.129 176.600 -0.197 0.000 0.986 243 E CA 2.115 58.412 56.400 -0.171 0.000 0.849 243 E CB 0.898 30.534 29.700 -0.106 0.000 0.797 243 E HN -0.565 7.623 8.360 -0.286 0.000 0.482 244 E N -5.239 114.748 120.200 -0.356 0.000 2.568 244 E HA 0.174 4.417 4.350 -0.180 0.000 0.220 244 E C -0.139 176.272 176.600 -0.314 0.000 0.869 244 E CA 0.117 56.306 56.400 -0.353 0.000 1.268 244 E CB 2.437 31.791 29.700 -0.578 0.000 1.252 244 E HN -0.442 7.633 8.360 -0.475 0.000 0.606 245 C N -0.697 118.389 119.300 -0.357 0.000 2.760 245 C HA 0.210 4.612 4.460 -0.096 0.000 0.293 245 C C -0.848 174.177 174.990 0.058 0.000 1.383 245 C CA -1.192 57.733 59.018 -0.155 0.000 1.771 245 C CB 1.124 28.806 27.740 -0.096 0.000 2.353 245 C HN -0.597 7.370 8.230 -0.439 0.000 0.578 246 Q N -0.205 119.630 119.800 0.059 0.000 2.327 246 Q HA -0.038 4.691 4.340 0.408 -0.144 0.254 246 Q C -0.341 175.701 176.000 0.069 0.000 0.952 246 Q CA 0.632 56.548 55.803 0.188 0.000 0.884 246 Q CB 0.644 29.455 28.738 0.122 0.000 1.224 246 Q HN -0.414 7.786 8.270 -0.030 0.052 0.422 247 N N -2.471 116.258 118.700 0.048 0.000 2.776 247 N HA -0.448 4.277 4.740 -0.025 0.000 0.250 247 N C -1.044 174.472 175.510 0.011 0.000 1.112 247 N CA 1.433 54.477 53.050 -0.010 0.000 0.733 247 N CB -0.905 37.545 38.487 -0.061 0.000 1.097 247 N HN 0.331 9.090 8.380 0.060 -0.343 0.558 248 L N -2.746 118.507 121.223 0.049 0.000 2.453 248 L HA -0.074 4.438 4.340 0.085 -0.121 0.261 248 L C -0.435 176.474 176.870 0.064 0.000 1.179 248 L CA 0.049 54.937 54.840 0.079 0.000 0.813 248 L CB 1.113 43.245 42.059 0.121 0.000 1.110 248 L HN -0.558 7.677 8.230 0.064 0.034 0.466 249 K N 1.169 121.622 120.400 0.089 0.000 2.483 249 K HA 0.363 4.861 4.320 0.057 -0.145 0.256 249 K C -1.555 175.126 176.600 0.134 0.000 0.961 249 K CA -1.177 55.159 56.287 0.082 0.000 0.873 249 K CB 2.058 34.596 32.500 0.065 0.000 1.107 249 K HN -0.121 8.192 8.250 0.106 0.000 0.432 250 L N 6.241 127.550 121.223 0.142 0.000 2.276 250 L HA 0.122 4.664 4.340 0.335 0.000 0.286 250 L C -0.735 176.219 176.870 0.140 0.000 1.061 250 L CA -0.065 54.912 54.840 0.229 0.000 0.807 250 L CB 1.051 43.247 42.059 0.228 0.000 1.177 250 L HN 0.534 9.226 8.230 0.099 -0.402 0.429 251 I N 3.851 124.542 120.570 0.201 0.000 2.833 251 I HA 0.397 4.609 4.170 0.070 0.000 0.286 251 I C -2.132 174.073 176.117 0.147 0.000 1.287 251 I CA -3.060 58.315 61.300 0.126 0.000 1.046 251 I CB 0.451 38.520 38.000 0.114 0.000 1.612 251 I HN 0.688 9.082 8.210 0.307 0.000 0.585 252 P HA 0.117 4.646 4.420 0.182 0.000 0.271 252 P C -1.101 176.225 177.300 0.043 0.000 1.218 252 P CA -0.220 62.891 63.100 0.019 0.000 0.780 252 P CB 0.595 32.142 31.700 -0.255 0.000 0.901 253 E N 1.042 121.289 120.200 0.078 0.000 2.378 253 E HA 0.150 4.523 4.350 0.037 0.000 0.200 253 E C -0.939 175.680 176.600 0.032 0.000 0.882 253 E CA 0.481 56.912 56.400 0.053 0.000 1.061 253 E CB 3.218 32.959 29.700 0.068 0.000 1.049 253 E HN 0.479 8.910 8.360 0.118 0.000 0.494 254 R N -4.630 115.897 120.500 0.044 0.000 2.734 254 R HA 0.648 5.209 4.340 0.011 -0.215 0.271 254 R C -2.006 174.310 176.300 0.026 0.000 1.021 254 R CA -1.347 54.768 56.100 0.025 0.000 0.893 254 R CB 3.924 34.239 30.300 0.026 0.000 1.244 254 R HN -0.632 7.678 8.270 0.068 0.000 0.464 255 G N -2.416 106.390 108.800 0.009 0.000 2.687 255 G HA2 0.868 4.933 3.960 -0.002 0.000 0.291 255 G HA3 0.868 4.824 3.960 -0.003 0.002 0.291 255 G C -3.317 171.586 174.900 0.006 0.000 1.420 255 G CA -0.408 44.693 45.100 0.001 0.000 0.796 255 G HN -0.090 8.204 8.290 0.006 0.000 0.485 256 V N -2.251 117.667 119.914 0.006 0.000 2.932 256 V HA 0.447 4.601 4.120 0.056 0.000 0.307 256 V C -2.535 173.633 176.094 0.124 0.000 1.147 256 V CA -1.606 60.730 62.300 0.060 0.000 0.951 256 V CB 3.205 35.076 31.823 0.079 0.000 1.031 256 V HN 0.145 8.324 8.190 -0.018 0.000 0.426 257 T N 8.893 123.527 114.554 0.133 0.000 2.841 257 T HA 0.542 5.149 4.350 0.192 -0.141 0.285 257 T C -1.460 173.328 174.700 0.146 0.000 0.991 257 T CA -1.033 61.154 62.100 0.145 0.000 0.966 257 T CB 1.000 69.910 68.868 0.069 0.000 0.962 257 T HN 0.128 8.434 8.240 0.109 0.000 0.438 258 E N 4.552 124.851 120.200 0.166 0.000 2.383 258 E HA 0.554 4.953 4.350 0.082 0.000 0.275 258 E C -2.386 174.256 176.600 0.071 0.000 0.918 258 E CA -3.387 53.074 56.400 0.102 0.000 0.764 258 E CB 2.752 32.501 29.700 0.081 0.000 1.252 258 E HN 0.238 8.718 8.360 0.200 0.000 0.449 259 P HA 0.029 4.483 4.420 0.056 0.000 0.274 259 P C -1.470 175.844 177.300 0.024 0.000 1.231 259 P CA -0.267 62.857 63.100 0.040 0.000 0.790 259 P CB 0.718 32.435 31.700 0.027 0.000 0.951 260 A N 2.065 124.916 122.820 0.053 0.000 2.443 260 A HA 0.365 4.671 4.320 -0.023 0.000 0.278 260 A C -1.582 176.016 177.584 0.023 0.000 1.252 260 A CA -2.239 49.812 52.037 0.024 0.000 0.816 260 A CB 2.505 21.544 19.000 0.064 0.000 1.369 260 A HN 0.050 8.252 8.150 0.086 0.000 0.446 261 E N -1.135 119.035 120.200 -0.049 0.000 2.409 261 E HA -0.195 4.131 4.350 -0.041 0.000 0.257 261 E C -0.371 176.210 176.600 -0.032 0.000 1.150 261 E CA 0.156 56.513 56.400 -0.073 0.000 0.942 261 E CB 0.376 29.989 29.700 -0.145 0.000 0.979 261 E HN 0.218 8.524 8.360 -0.091 0.000 0.447 262 D N -0.849 119.548 120.400 -0.005 0.000 2.811 262 D HA -0.381 4.288 4.640 0.049 0.000 0.231 262 D C -0.506 175.944 176.300 0.250 0.000 1.157 262 D CA 0.927 54.974 54.000 0.078 0.000 0.716 262 D CB -1.920 38.876 40.800 -0.006 0.000 1.077 262 D HN 0.546 8.903 8.370 -0.020 0.000 0.428 263 G N -6.515 102.389 108.800 0.172 0.000 2.148 263 G HA2 -0.530 3.479 3.960 0.081 0.000 0.254 263 G HA3 -0.530 3.485 3.960 0.091 0.000 0.254 263 G C -0.789 174.202 174.900 0.152 0.000 0.981 263 G CA 0.311 45.488 45.100 0.129 0.000 0.670 263 G HN 0.207 8.547 8.290 0.117 0.019 0.528 264 F N 0.010 119.939 119.950 -0.036 0.000 2.390 264 F HA 0.356 4.971 4.527 -0.015 -0.097 0.307 264 F C -0.159 175.643 175.800 0.002 0.000 1.227 264 F CA -0.040 57.948 58.000 -0.021 0.000 1.179 264 F CB 1.063 40.039 39.000 -0.039 0.000 1.280 264 F HN -0.589 7.979 8.300 0.531 0.051 0.548 265 T N 1.357 116.023 114.554 0.188 0.000 2.893 265 T HA 0.491 5.031 4.350 0.122 -0.118 0.293 265 T C -1.973 172.846 174.700 0.199 0.000 1.027 265 T CA -0.673 61.510 62.100 0.138 0.000 0.988 265 T CB 2.306 71.217 68.868 0.073 0.000 1.043 265 T HN 0.253 8.602 8.240 0.182 0.000 0.461 266 Q N 4.537 124.455 119.800 0.196 0.000 2.337 266 Q HA 0.984 5.730 4.340 0.358 -0.192 0.266 266 Q C -1.886 174.392 176.000 0.464 0.000 1.023 266 Q CA -2.258 53.732 55.803 0.311 0.000 0.829 266 Q CB 3.386 32.204 28.738 0.134 0.000 1.306 266 Q HN 0.882 9.244 8.270 0.153 0.000 0.449 267 I N 2.492 123.385 120.570 0.539 0.000 2.533 267 I HA 0.742 5.324 4.170 0.354 -0.200 0.290 267 I C -1.963 174.280 176.117 0.209 0.000 1.056 267 I CA -1.216 60.298 61.300 0.358 0.000 1.057 267 I CB 4.260 42.351 38.000 0.152 0.000 1.240 267 I HN 0.505 9.054 8.210 0.565 0.000 0.423 268 K N 6.916 127.174 120.400 -0.238 0.000 2.323 268 K HA 0.903 5.277 4.320 -0.270 -0.216 0.259 268 K C -1.913 174.618 176.600 -0.115 0.000 0.947 268 K CA -2.090 53.912 56.287 -0.475 0.000 0.819 268 K CB 3.432 35.127 32.500 -1.342 0.000 1.109 268 K HN 0.267 8.398 8.250 -0.199 0.000 0.429 269 V N 7.158 127.134 119.914 0.105 0.000 2.604 269 V HA 0.705 5.037 4.120 0.089 -0.159 0.305 269 V C -1.235 175.045 176.094 0.310 0.000 1.043 269 V CA -1.784 60.627 62.300 0.184 0.000 0.888 269 V CB 3.404 35.349 31.823 0.204 0.000 0.995 269 V HN 0.421 8.730 8.190 0.198 0.000 0.429 270 T N 0.736 115.424 114.554 0.224 0.000 2.908 270 T HA 0.912 5.586 4.350 0.280 -0.156 0.290 270 T C -0.562 174.319 174.700 0.301 0.000 1.034 270 T CA -3.050 59.194 62.100 0.239 0.000 1.010 270 T CB 2.987 71.912 68.868 0.095 0.000 1.068 270 T HN 0.569 8.899 8.240 0.151 0.000 0.481 271 G N -0.414 108.574 108.800 0.312 0.000 2.441 271 G HA2 0.205 4.399 3.960 0.185 0.000 0.225 271 G HA3 0.205 4.503 3.960 0.361 -0.121 0.225 271 G C -3.097 171.933 174.900 0.217 0.000 1.200 271 G CA 0.945 46.214 45.100 0.282 0.000 0.947 271 G HN 0.213 8.642 8.290 0.232 0.000 0.484 272 K N -0.662 119.883 120.400 0.242 0.000 2.395 272 K HA 1.111 5.707 4.320 0.098 -0.218 0.247 272 K C -2.112 174.620 176.600 0.221 0.000 0.973 272 K CA -1.858 54.524 56.287 0.158 0.000 0.828 272 K CB 4.952 37.520 32.500 0.112 0.000 1.272 272 K HN -0.068 8.347 8.250 0.276 0.000 0.439 273 V N 0.916 120.916 119.914 0.143 0.000 2.841 273 V HA 0.765 5.188 4.120 0.212 -0.175 0.310 273 V C -2.511 173.661 176.094 0.130 0.000 1.090 273 V CA -3.075 59.328 62.300 0.172 0.000 0.930 273 V CB 3.716 35.642 31.823 0.173 0.000 1.014 273 V HN 0.113 8.357 8.190 0.090 0.000 0.425 274 Q N 5.980 125.863 119.800 0.139 0.000 2.312 274 Q HA 0.532 4.959 4.340 0.144 0.000 0.263 274 Q C -1.139 174.954 176.000 0.155 0.000 0.995 274 Q CA -1.568 54.318 55.803 0.139 0.000 0.853 274 Q CB 3.755 32.564 28.738 0.118 0.000 1.300 274 Q HN 0.264 8.620 8.270 0.144 0.000 0.448 275 T N 2.453 117.129 114.554 0.204 0.000 2.875 275 T HA 0.482 4.940 4.350 0.179 0.000 0.284 275 T C -0.632 174.174 174.700 0.177 0.000 0.995 275 T CA -3.320 58.915 62.100 0.225 0.000 1.060 275 T CB 1.087 70.166 68.868 0.352 0.000 0.967 275 T HN 0.483 8.865 8.240 0.236 0.000 0.476 276 P HA -0.040 4.354 4.420 -0.042 0.000 0.228 276 P C -0.457 176.750 177.300 -0.156 0.000 1.151 276 P CA 1.243 64.293 63.100 -0.083 0.000 0.770 276 P CB 0.087 31.666 31.700 -0.201 0.000 0.786 277 W N -3.673 117.575 121.300 -0.087 0.000 2.465 277 W HA -0.221 4.245 4.660 -0.324 0.000 0.268 277 W C 0.857 176.975 176.519 -0.668 0.000 1.242 277 W CA 1.866 59.002 57.345 -0.348 0.000 1.248 277 W CB 0.305 29.554 29.460 -0.351 0.000 1.118 277 W HN -0.623 7.651 8.180 0.213 0.033 0.587 278 F N -4.338 115.750 119.950 0.230 0.000 2.871 278 F HA 0.494 5.109 4.527 0.147 0.000 0.344 278 F C 0.836 176.688 175.800 0.087 0.000 1.078 278 F CA -0.274 57.813 58.000 0.146 0.000 1.149 278 F CB 2.423 41.499 39.000 0.127 0.000 1.087 278 F HN -0.405 8.035 8.300 0.281 0.029 0.557 279 G N 0.514 109.424 108.800 0.184 0.000 2.594 279 G HA2 -0.463 3.548 3.960 0.086 0.000 0.297 279 G HA3 -0.463 3.548 3.960 0.085 0.000 0.297 279 G C 0.378 175.357 174.900 0.131 0.000 1.273 279 G CA 0.612 45.781 45.100 0.115 0.000 0.974 279 G HN -0.237 8.148 8.290 0.158 0.000 0.552 280 G N -0.212 108.645 108.800 0.094 0.000 2.848 280 G HA2 -0.069 4.067 3.960 0.082 0.000 0.208 280 G HA3 -0.069 3.930 3.960 0.064 0.000 0.208 280 G C -0.100 174.850 174.900 0.085 0.000 1.152 280 G CA 0.358 45.506 45.100 0.081 0.000 0.789 280 G HN 0.215 8.552 8.290 0.078 0.000 0.531 281 N N -0.653 118.116 118.700 0.115 0.000 2.457 281 N HA -0.087 4.695 4.740 0.070 0.000 0.180 281 N C -0.738 174.812 175.510 0.065 0.000 1.050 281 N CA 1.702 54.811 53.050 0.099 0.000 0.906 281 N CB 0.971 39.542 38.487 0.141 0.000 0.968 281 N HN -0.652 7.750 8.380 0.146 0.065 0.445 282 V N -1.648 118.317 119.914 0.085 0.000 2.483 282 V HA 0.174 4.280 4.120 -0.023 0.000 0.297 282 V C -1.549 174.573 176.094 0.047 0.000 1.027 282 V CA -0.811 61.495 62.300 0.010 0.000 0.855 282 V CB 2.433 34.197 31.823 -0.098 0.000 0.995 282 V HN -1.104 7.172 8.190 0.143 0.000 0.424 283 G N 4.966 113.783 108.800 0.029 0.000 2.522 283 G HA2 0.456 4.455 3.960 0.064 0.000 0.318 283 G HA3 0.456 4.444 3.960 0.046 0.000 0.318 283 G C -1.023 173.894 174.900 0.028 0.000 1.192 283 G CA -1.273 43.855 45.100 0.045 0.000 0.988 283 G HN 0.094 8.392 8.290 0.013 0.000 0.480 284 M N 4.255 123.874 119.600 0.031 0.000 2.233 284 M HA 0.076 4.555 4.480 -0.001 0.000 0.350 284 M C -0.903 175.394 176.300 -0.005 0.000 1.176 284 M CA 0.310 55.614 55.300 0.007 0.000 1.150 284 M CB 1.713 34.316 32.600 0.006 0.000 1.530 284 M HN -0.087 8.232 8.290 0.049 0.000 0.459 285 N N 3.552 122.241 118.700 -0.018 0.000 2.408 285 N HA 0.256 5.130 4.740 -0.009 -0.140 0.257 285 N C -1.136 174.318 175.510 -0.093 0.000 1.064 285 N CA 0.283 53.316 53.050 -0.028 0.000 0.952 285 N CB 0.471 38.951 38.487 -0.012 0.000 1.093 285 N HN 0.279 8.650 8.380 -0.015 0.000 0.490 286 I N 3.014 123.492 120.570 -0.153 0.000 2.647 286 I HA 0.869 5.048 4.170 -0.340 -0.213 0.295 286 I C -2.203 173.689 176.117 -0.374 0.000 1.078 286 I CA -2.564 58.512 61.300 -0.374 0.000 1.048 286 I CB 4.219 41.819 38.000 -0.667 0.000 1.239 286 I HN 0.367 8.517 8.210 -0.099 0.000 0.421 287 A N 3.659 126.246 122.820 -0.388 0.000 2.355 287 A HA 0.859 5.337 4.320 -0.046 -0.186 0.324 287 A C -1.561 175.811 177.584 -0.353 0.000 1.117 287 A CA -2.315 49.591 52.037 -0.219 0.000 0.785 287 A CB 3.812 22.739 19.000 -0.121 0.000 1.254 287 A HN 0.523 8.442 8.150 -0.384 0.000 0.453 288 W N -0.268 120.966 121.300 -0.109 0.000 2.520 288 W HA 0.651 5.328 4.660 -0.294 -0.194 0.323 288 W C -0.424 175.948 176.519 -0.245 0.000 1.062 288 W CA -1.890 55.311 57.345 -0.240 0.000 1.215 288 W CB 3.337 32.665 29.460 -0.219 0.000 1.340 288 W HN 0.480 8.950 8.180 0.484 0.000 0.516 289 R N 0.631 121.061 120.500 -0.117 0.000 2.388 289 R HA 0.590 5.142 4.340 0.097 -0.154 0.314 289 R C -1.223 175.081 176.300 0.007 0.000 0.959 289 R CA -1.130 55.005 56.100 0.058 0.000 0.851 289 R CB 2.228 32.662 30.300 0.223 0.000 1.168 289 R HN 0.648 8.783 8.270 -0.224 0.000 0.472 290 F N 3.287 123.346 119.950 0.181 0.000 2.422 290 F HA 0.562 5.289 4.527 0.077 -0.153 0.333 290 F C -1.120 174.845 175.800 0.276 0.000 1.095 290 F CA -0.882 57.199 58.000 0.134 0.000 1.038 290 F CB 3.143 42.148 39.000 0.008 0.000 1.156 290 F HN 0.860 9.475 8.300 0.525 0.000 0.483 291 L N 3.234 124.757 121.223 0.501 0.000 2.343 291 L HA 0.615 5.366 4.340 0.439 -0.148 0.278 291 L C -2.247 174.904 176.870 0.469 0.000 0.996 291 L CA -1.278 53.862 54.840 0.499 0.000 0.831 291 L CB 2.910 45.312 42.059 0.571 0.000 1.232 291 L HN 0.630 9.146 8.230 0.476 0.000 0.413 292 L N 6.369 127.784 121.223 0.321 0.000 2.329 292 L HA 0.799 5.416 4.340 0.134 -0.196 0.279 292 L C -0.494 176.270 176.870 -0.176 0.000 1.014 292 L CA -1.927 52.981 54.840 0.114 0.000 0.814 292 L CB 2.056 44.125 42.059 0.017 0.000 1.257 292 L HN 0.679 9.087 8.230 0.297 0.000 0.424 293 N N 3.621 122.032 118.700 -0.482 0.000 2.322 293 N HA 0.173 3.213 4.740 -2.833 0.000 0.270 293 N C -0.231 174.860 175.510 -0.698 0.000 1.286 293 N CA -1.762 50.486 53.050 -1.336 0.000 0.948 293 N CB -1.414 36.493 38.487 -0.967 0.000 1.164 293 N HN 0.057 8.289 8.380 -0.247 0.000 0.551 294 P HA 0.021 4.299 4.420 -0.237 0.000 0.222 294 P C -0.110 177.082 177.300 -0.179 0.000 1.147 294 P CA 1.975 64.906 63.100 -0.283 0.000 0.790 294 P CB 0.087 31.673 31.700 -0.190 0.000 0.780 295 E N -4.809 115.286 120.200 -0.175 0.000 2.489 295 E HA 0.111 4.411 4.350 -0.084 0.000 0.193 295 E C 0.466 177.010 176.600 -0.093 0.000 1.057 295 E CA -0.912 55.426 56.400 -0.103 0.000 0.866 295 E CB -0.437 29.220 29.700 -0.070 0.000 0.916 295 E HN -0.543 7.839 8.360 -0.213 -0.150 0.500 296 G N -2.147 106.579 108.800 -0.122 0.000 2.176 296 G HA2 -0.384 3.514 3.960 -0.103 0.000 0.232 296 G HA3 -0.384 3.526 3.960 -0.082 0.000 0.232 296 G C -0.299 174.554 174.900 -0.078 0.000 0.986 296 G CA -0.000 45.041 45.100 -0.097 0.000 0.643 296 G HN -0.288 7.807 8.290 -0.167 0.095 0.522 297 K N 0.807 121.167 120.400 -0.066 0.000 2.154 297 K HA 0.403 4.830 4.320 -0.025 -0.122 0.264 297 K C -0.505 176.098 176.600 0.005 0.000 1.008 297 K CA -1.701 54.575 56.287 -0.018 0.000 0.937 297 K CB 0.997 33.518 32.500 0.036 0.000 1.002 297 K HN -0.497 7.981 8.250 -0.087 -0.280 0.469 298 I N 1.378 121.916 120.570 -0.054 0.000 2.347 298 I HA -0.189 4.018 4.170 0.061 0.000 0.294 298 I C 0.828 177.052 176.117 0.178 0.000 1.090 298 I CA 1.099 62.363 61.300 -0.060 0.000 1.314 298 I CB -0.991 36.669 38.000 -0.567 0.000 1.423 298 I HN 0.436 8.572 8.210 -0.124 0.000 0.503 299 F N 9.614 129.687 119.950 0.204 0.000 2.335 299 F HA 0.135 4.846 4.527 0.306 0.000 0.296 299 F C -1.635 174.411 175.800 0.410 0.000 1.091 299 F CA 0.835 59.032 58.000 0.327 0.000 1.399 299 F CB 2.997 42.268 39.000 0.451 0.000 1.067 299 F HN 0.155 8.755 8.300 0.501 0.000 0.520 300 F N -2.348 117.711 119.950 0.181 0.000 2.635 300 F HA 0.599 5.319 4.527 -0.005 -0.196 0.314 300 F C -2.945 172.900 175.800 0.075 0.000 1.119 300 F CA -1.046 56.983 58.000 0.049 0.000 1.000 300 F CB 4.025 43.043 39.000 0.029 0.000 1.278 300 F HN -0.694 7.904 8.300 0.497 0.000 0.446 301 V N 6.598 126.123 119.914 -0.649 0.000 2.577 301 V HA 0.934 4.891 4.120 -0.648 -0.226 0.303 301 V C -2.938 172.557 176.094 -0.999 0.000 1.042 301 V CA -3.200 58.648 62.300 -0.754 0.000 0.872 301 V CB 4.036 35.441 31.823 -0.697 0.000 0.998 301 V HN 0.369 8.184 8.190 -0.626 0.000 0.423 302 A N 8.008 130.341 122.820 -0.811 0.000 2.312 302 A HA 0.703 4.842 4.320 -0.543 -0.145 0.326 302 A C -1.906 175.466 177.584 -0.352 0.000 1.172 302 A CA -2.557 49.179 52.037 -0.501 0.000 0.821 302 A CB 2.849 21.758 19.000 -0.151 0.000 1.166 302 A HN 0.632 8.420 8.150 -0.604 0.000 0.493 303 I N 2.715 123.093 120.570 -0.321 0.000 2.418 303 I HA 0.613 4.643 4.170 -0.524 -0.175 0.287 303 I C -1.708 174.172 176.117 -0.395 0.000 1.008 303 I CA -0.706 60.349 61.300 -0.409 0.000 1.104 303 I CB 2.260 40.065 38.000 -0.325 0.000 1.264 303 I HN 0.414 8.448 8.210 -0.292 0.000 0.438 304 D N 6.761 126.905 120.400 -0.426 0.000 2.498 304 D HA 0.361 4.713 4.640 -0.480 0.000 0.247 304 D C -1.760 174.312 176.300 -0.380 0.000 1.070 304 D CA -1.150 52.611 54.000 -0.399 0.000 0.842 304 D CB 3.549 44.192 40.800 -0.262 0.000 1.361 304 D HN 0.499 8.585 8.370 -0.474 0.000 0.484 305 L N 3.618 124.598 121.223 -0.405 0.000 2.290 305 L HA 0.285 4.657 4.340 -0.184 -0.142 0.284 305 L C -1.154 175.669 176.870 -0.078 0.000 1.078 305 L CA -0.254 54.469 54.840 -0.195 0.000 0.815 305 L CB 1.129 43.155 42.059 -0.055 0.000 1.162 305 L HN 0.476 8.338 8.230 -0.613 0.000 0.435 306 L N 4.947 126.137 121.223 -0.054 0.000 2.379 306 L HA 0.228 4.678 4.340 -0.014 -0.118 0.269 306 L C -0.014 176.872 176.870 0.026 0.000 1.084 306 L CA -0.858 53.972 54.840 -0.016 0.000 0.802 306 L CB 1.168 43.209 42.059 -0.031 0.000 1.175 306 L HN 0.120 8.309 8.230 -0.068 0.000 0.448 307 A N 1.069 123.911 122.820 0.036 0.000 1.972 307 A HA -0.201 4.153 4.320 0.056 0.000 0.219 307 A C 0.126 177.726 177.584 0.026 0.000 1.169 307 A CA 1.883 53.945 52.037 0.042 0.000 0.635 307 A CB -0.000 19.023 19.000 0.039 0.000 0.810 307 A HN 0.171 8.340 8.150 0.031 0.000 0.446 308 S N -3.879 111.832 115.700 0.018 0.000 2.636 308 S HA 0.461 4.961 4.470 0.050 0.000 0.268 308 S C -2.614 171.992 174.600 0.011 0.000 1.159 308 S CA -0.701 57.507 58.200 0.013 0.000 0.815 308 S CB -0.781 62.426 63.200 0.012 0.000 1.130 308 S HN -0.619 nan 8.310 nan 0.000 0.471 309 P HA 0.039 nan 4.420 nan 0.000 0.226 309 P C 0.572 177.881 177.300 0.015 0.000 1.146 309 P CA 0.966 64.073 63.100 0.012 0.000 0.773 309 P CB -0.118 31.590 31.700 0.012 0.000 0.772 310 K N -0.423 119.986 120.400 0.014 0.000 2.486 310 K HA -0.041 4.309 4.320 0.050 0.000 0.194 310 K C 1.125 177.735 176.600 0.018 0.000 1.033 310 K CA 0.654 56.950 56.287 0.016 0.000 1.004 310 K CB -0.040 32.469 32.500 0.015 0.000 0.798 310 K HN 0.134 nan 8.250 nan 0.000 0.495 311 E N 0.278 120.487 120.200 0.016 0.000 2.447 311 E HA 0.051 4.432 4.350 0.050 0.000 0.195 311 E C 0.897 177.505 176.600 0.014 0.000 1.028 311 E CA -0.032 56.377 56.400 0.016 0.000 0.876 311 E CB 0.132 29.839 29.700 0.012 0.000 0.885 311 E HN 0.142 nan 8.360 nan 0.000 0.500 312 L N 0.000 121.233 121.223 0.017 0.000 2.949 312 L HA 0.000 4.370 4.340 0.050 0.000 0.249 312 L CA 0.000 54.855 54.840 0.025 0.000 0.813 312 L CB 0.000 42.078 42.059 0.031 0.000 0.961 312 L HN 0.000 nan 8.230 nan 0.000 0.502