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 1qrj_20_B DATA FIRST_RESID 16 DATA SEQUENCE QMKDLQAIKQ EVSQAAPGSP QFMQTIRLAV QQFDPTAKDL QDLLQYLCSS DATA SEQUENCE LVASLHHQQL DSLISEAETR GITGYNPLAG PLRVQANNPQ QQGLRREYQQ DATA SEQUENCE LWLAAFAALP GSAKDPSWAS ILQGLEEPYH AFVERLNIAL DNGLPEGTPK DATA SEQUENCE DPILRSLAYS NANKECQKLL QARGHTNSPL GDMLRACQTW TPKDKTKVL 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 16 Q HA 0.000 4.213 4.340 -0.212 0.000 0.214 16 Q C 0.000 175.874 176.000 -0.211 0.000 1.003 16 Q CA 0.000 55.668 55.803 -0.226 0.000 1.022 16 Q CB 0.000 28.646 28.738 -0.154 0.000 1.108 17 M N 1.322 120.827 119.600 -0.157 0.000 2.252 17 M HA -0.411 3.936 4.480 -0.221 0.000 0.257 17 M C 1.362 177.616 176.300 -0.076 0.000 1.077 17 M CA 4.022 59.244 55.300 -0.129 0.000 1.066 17 M CB -0.501 32.072 32.600 -0.046 0.000 1.380 17 M HN 0.699 8.912 8.290 -0.130 0.000 0.412 18 K N -1.264 119.097 120.400 -0.065 0.000 1.985 18 K HA -0.410 3.916 4.320 0.011 0.000 0.210 18 K C 2.003 178.594 176.600 -0.017 0.000 1.047 18 K CA 4.342 60.615 56.287 -0.024 0.000 0.932 18 K CB -0.872 31.612 32.500 -0.027 0.000 0.716 18 K HN 0.238 8.411 8.250 -0.082 0.027 0.439 19 D N 0.428 120.784 120.400 -0.073 0.000 2.106 19 D HA -0.277 4.392 4.640 0.049 0.000 0.191 19 D C 2.287 178.601 176.300 0.022 0.000 0.997 19 D CA 3.424 57.407 54.000 -0.028 0.000 0.834 19 D CB -0.562 40.103 40.800 -0.223 0.000 0.956 19 D HN -0.544 7.683 8.370 -0.132 0.064 0.448 20 L N -1.201 119.961 121.223 -0.103 0.000 2.079 20 L HA -0.456 3.867 4.340 -0.028 0.000 0.210 20 L C 2.255 179.235 176.870 0.183 0.000 1.081 20 L CA 3.129 57.885 54.840 -0.141 0.000 0.752 20 L CB -0.239 41.359 42.059 -0.767 0.000 0.896 20 L HN -0.509 7.598 8.230 -0.205 0.000 0.433 21 Q N -0.037 119.865 119.800 0.169 0.000 2.002 21 Q HA -0.284 4.287 4.340 0.385 0.000 0.204 21 Q C 2.705 178.810 176.000 0.176 0.000 0.988 21 Q CA 2.822 58.767 55.803 0.236 0.000 0.843 21 Q CB -0.596 28.227 28.738 0.142 0.000 0.908 21 Q HN 0.371 8.458 8.270 0.056 0.217 0.420 22 A N -0.049 122.846 122.820 0.124 0.000 1.917 22 A HA -0.334 4.041 4.320 0.091 0.000 0.219 22 A C 1.984 179.646 177.584 0.129 0.000 1.182 22 A CA 3.213 55.314 52.037 0.107 0.000 0.633 22 A CB -0.731 18.323 19.000 0.089 0.000 0.819 22 A HN 0.317 8.527 8.150 0.099 0.000 0.448 23 I N -1.083 119.586 120.570 0.164 0.000 2.142 23 I HA -0.559 3.899 4.170 0.139 -0.204 0.240 23 I C 2.121 178.363 176.117 0.208 0.000 1.078 23 I CA 3.872 65.281 61.300 0.181 0.000 1.343 23 I CB -0.255 37.868 38.000 0.206 0.000 1.046 23 I HN 0.075 8.311 8.210 0.168 0.075 0.405 24 K N -0.806 119.754 120.400 0.266 0.000 2.152 24 K HA -0.444 4.007 4.320 0.218 0.000 0.206 24 K C 2.383 179.057 176.600 0.124 0.000 1.048 24 K CA 3.380 59.789 56.287 0.204 0.000 0.933 24 K CB -0.367 32.227 32.500 0.157 0.000 0.721 24 K HN 0.188 8.467 8.250 0.338 0.174 0.447 25 Q N -0.886 118.983 119.800 0.116 0.000 1.922 25 Q HA -0.328 4.047 4.340 0.059 0.000 0.201 25 Q C 2.141 178.189 176.000 0.079 0.000 0.979 25 Q CA 3.454 59.304 55.803 0.079 0.000 0.841 25 Q CB -0.008 28.772 28.738 0.071 0.000 0.903 25 Q HN -0.085 8.128 8.270 0.136 0.139 0.431 26 E N -0.896 119.354 120.200 0.084 0.000 2.187 26 E HA -0.344 4.043 4.350 0.062 0.000 0.199 26 E C 2.683 179.342 176.600 0.098 0.000 1.004 26 E CA 2.773 59.220 56.400 0.077 0.000 0.813 26 E CB -0.619 29.123 29.700 0.069 0.000 0.736 26 E HN -0.001 8.411 8.360 0.087 0.000 0.468 27 V N 1.008 121.003 119.914 0.135 0.000 2.283 27 V HA -0.355 3.899 4.120 0.224 0.000 0.243 27 V C 2.555 178.732 176.094 0.139 0.000 1.039 27 V CA 3.035 65.457 62.300 0.203 0.000 1.016 27 V CB -0.402 31.604 31.823 0.305 0.000 0.650 27 V HN 0.351 8.503 8.190 0.139 0.121 0.449 28 S N -0.340 115.413 115.700 0.088 0.000 2.381 28 S HA -0.434 4.038 4.470 0.005 0.000 0.230 28 S C 1.716 176.327 174.600 0.019 0.000 1.052 28 S CA 3.266 61.483 58.200 0.028 0.000 1.068 28 S CB -0.101 63.105 63.200 0.010 0.000 0.918 28 S HN -0.062 8.131 8.310 0.095 0.173 0.448 29 Q N -1.248 118.573 119.800 0.036 0.000 2.112 29 Q HA -0.255 4.093 4.340 0.014 0.000 0.206 29 Q C 0.388 176.407 176.000 0.032 0.000 0.987 29 Q CA 1.855 57.675 55.803 0.028 0.000 0.858 29 Q CB 0.346 29.105 28.738 0.035 0.000 0.905 29 Q HN -0.593 7.712 8.270 0.048 -0.006 0.420 30 A N -0.721 122.135 122.820 0.060 0.000 2.482 30 A HA -0.190 4.166 4.320 0.060 0.000 0.249 30 A C -1.307 176.293 177.584 0.026 0.000 1.114 30 A CA 0.526 52.605 52.037 0.070 0.000 0.797 30 A CB 0.397 19.488 19.000 0.150 0.000 1.067 30 A HN -0.293 7.804 8.150 0.082 0.103 0.514 31 A N -1.866 120.965 122.820 0.019 0.000 2.322 31 A HA 0.324 4.620 4.320 -0.039 0.000 0.327 31 A C -2.092 175.458 177.584 -0.056 0.000 1.134 31 A CA -2.716 49.308 52.037 -0.021 0.000 0.831 31 A CB 0.951 19.946 19.000 -0.008 0.000 1.288 31 A HN -0.126 8.050 8.150 0.042 0.000 0.472 32 P HA 0.178 4.652 4.420 -0.204 -0.177 0.237 32 P C -0.689 176.559 177.300 -0.087 0.000 1.788 32 P CA -0.330 62.689 63.100 -0.136 0.000 1.061 32 P CB -1.481 30.139 31.700 -0.133 0.000 1.967 33 G N 3.346 112.111 108.800 -0.059 0.000 3.110 33 G HA2 -0.185 3.762 3.960 -0.022 0.000 0.205 33 G HA3 -0.185 3.762 3.960 -0.022 0.000 0.205 33 G C -0.334 174.577 174.900 0.018 0.000 1.019 33 G CA -0.017 45.071 45.100 -0.020 0.000 0.826 33 G HN 0.031 8.256 8.290 -0.053 0.033 0.481 34 S N 3.498 119.213 115.700 0.025 0.000 2.562 34 S HA 0.236 4.725 4.470 0.032 0.000 0.281 34 S C -0.907 173.739 174.600 0.076 0.000 1.333 34 S CA -1.679 56.546 58.200 0.043 0.000 1.052 34 S CB 0.307 63.530 63.200 0.038 0.000 0.884 34 S HN -0.525 7.680 8.310 0.009 0.110 0.506 35 P HA 0.187 4.658 4.420 0.084 0.000 0.238 35 P C -1.556 175.784 177.300 0.066 0.000 1.714 35 P CA 0.181 63.321 63.100 0.066 0.000 0.908 35 P CB -0.782 30.944 31.700 0.042 0.000 1.893 36 Q N -1.345 118.514 119.800 0.098 0.000 2.534 36 Q HA -0.006 4.368 4.340 0.057 0.000 0.252 36 Q C 0.817 176.887 176.000 0.117 0.000 0.850 36 Q CA 1.151 57.007 55.803 0.088 0.000 0.974 36 Q CB 1.442 30.229 28.738 0.082 0.000 1.205 36 Q HN 0.305 8.559 8.270 0.132 0.095 0.593 37 F N 2.662 122.628 119.950 0.026 0.000 2.031 37 F HA -0.397 4.161 4.527 0.051 0.000 0.295 37 F C 1.205 177.053 175.800 0.079 0.000 1.133 37 F CA 3.460 61.485 58.000 0.041 0.000 1.188 37 F CB 0.172 39.176 39.000 0.006 0.000 0.974 37 F HN -0.868 7.618 8.300 0.310 0.000 0.473 38 M N -0.841 118.615 119.600 -0.240 0.000 2.082 38 M HA -0.540 3.504 4.480 -0.727 0.000 0.258 38 M C 1.868 178.066 176.300 -0.169 0.000 1.069 38 M CA 3.633 58.745 55.300 -0.313 0.000 1.102 38 M CB -0.902 31.715 32.600 0.029 0.000 1.336 38 M HN 0.253 8.724 8.290 0.302 0.000 0.404 39 Q N -1.739 118.021 119.800 -0.066 0.000 2.096 39 Q HA -0.361 3.961 4.340 -0.031 0.000 0.204 39 Q C 2.313 178.276 176.000 -0.062 0.000 0.982 39 Q CA 3.559 59.338 55.803 -0.040 0.000 0.850 39 Q CB -0.458 28.277 28.738 -0.006 0.000 0.901 39 Q HN 0.102 8.363 8.270 -0.015 0.000 0.422 40 T N 1.501 116.011 114.554 -0.073 0.000 2.803 40 T HA -0.330 3.999 4.350 -0.036 0.000 0.269 40 T C 1.754 176.407 174.700 -0.078 0.000 1.052 40 T CA 4.322 66.388 62.100 -0.055 0.000 1.136 40 T CB -0.179 68.681 68.868 -0.014 0.000 0.864 40 T HN -0.144 7.968 8.240 -0.070 0.086 0.467 41 I N -0.560 119.935 120.570 -0.125 0.000 2.252 41 I HA -0.344 3.810 4.170 -0.027 0.000 0.245 41 I C 1.859 177.933 176.117 -0.071 0.000 1.102 41 I CA 2.069 63.329 61.300 -0.066 0.000 1.385 41 I CB -1.167 36.817 38.000 -0.027 0.000 1.064 41 I HN -0.357 7.580 8.210 -0.206 0.149 0.414 42 R N -1.221 119.240 120.500 -0.067 0.000 2.148 42 R HA -0.286 4.019 4.340 -0.058 0.000 0.227 42 R C 2.452 178.683 176.300 -0.115 0.000 1.103 42 R CA 3.478 59.537 56.100 -0.068 0.000 0.983 42 R CB -0.588 29.688 30.300 -0.040 0.000 0.874 42 R HN -0.683 7.457 8.270 -0.066 0.090 0.451 43 L N -1.381 119.773 121.223 -0.115 0.000 2.141 43 L HA -0.112 4.156 4.340 -0.121 0.000 0.209 43 L C 1.510 178.229 176.870 -0.253 0.000 1.094 43 L CA 2.537 57.296 54.840 -0.135 0.000 0.763 43 L CB -0.755 41.254 42.059 -0.084 0.000 0.908 43 L HN 0.075 8.129 8.230 -0.092 0.122 0.437 44 A N -1.239 121.398 122.820 -0.306 0.000 1.935 44 A HA -0.135 3.687 4.320 -0.830 0.000 0.214 44 A C 2.079 179.156 177.584 -0.845 0.000 1.178 44 A CA 2.837 54.485 52.037 -0.648 0.000 0.640 44 A CB -0.289 18.525 19.000 -0.310 0.000 0.825 44 A HN -0.523 7.384 8.150 -0.203 0.121 0.447 45 V N -1.266 118.400 119.914 -0.412 0.000 2.667 45 V HA -0.295 3.634 4.120 -0.318 0.000 0.252 45 V C 1.475 177.413 176.094 -0.259 0.000 1.065 45 V CA 3.690 65.814 62.300 -0.294 0.000 1.083 45 V CB -0.481 31.256 31.823 -0.143 0.000 0.692 45 V HN -0.011 7.934 8.190 -0.272 0.082 0.468 46 Q N -2.309 117.337 119.800 -0.256 0.000 2.384 46 Q HA -0.077 4.181 4.340 -0.137 0.000 0.207 46 Q C 1.116 176.989 176.000 -0.211 0.000 0.904 46 Q CA 1.200 56.895 55.803 -0.179 0.000 0.933 46 Q CB 0.508 29.174 28.738 -0.121 0.000 1.077 46 Q HN -0.238 7.654 8.270 -0.269 0.217 0.522 47 Q N -1.086 118.494 119.800 -0.367 0.000 1.911 47 Q HA -0.186 4.048 4.340 -0.177 0.000 0.202 47 Q C 1.389 177.256 176.000 -0.222 0.000 0.976 47 Q CA 2.708 58.314 55.803 -0.328 0.000 0.845 47 Q CB 1.000 29.469 28.738 -0.449 0.000 0.903 47 Q HN -0.311 7.475 8.270 -0.519 0.173 0.437 48 F N -6.694 113.222 119.950 -0.057 0.000 2.712 48 F HA 0.231 4.726 4.527 -0.054 0.000 0.297 48 F C -0.659 175.093 175.800 -0.081 0.000 1.114 48 F CA -0.682 57.279 58.000 -0.065 0.000 1.305 48 F CB 1.196 40.153 39.000 -0.072 0.000 1.086 48 F HN -0.538 6.811 8.300 -1.586 0.000 0.599 49 D N -0.724 119.627 120.400 -0.082 0.000 4.669 49 D HA -0.171 4.401 4.640 -0.164 -0.030 0.240 49 D C -2.623 173.775 176.300 0.163 0.000 1.111 49 D CA 0.786 54.774 54.000 -0.019 0.000 1.179 49 D CB -1.077 39.706 40.800 -0.028 0.000 0.750 49 D HN -0.240 7.705 8.370 -0.708 0.000 0.360 50 P HA 0.049 4.629 4.420 0.039 -0.137 0.281 50 P C -0.216 176.966 177.300 -0.196 0.000 1.286 50 P CA -0.577 62.535 63.100 0.019 0.000 0.772 50 P CB 0.808 32.510 31.700 0.003 0.000 0.862 51 T N -0.083 114.357 114.554 -0.191 0.000 2.791 51 T HA -0.340 3.855 4.350 -0.259 0.000 0.323 51 T C 1.283 175.744 174.700 -0.399 0.000 1.082 51 T CA 0.164 62.106 62.100 -0.264 0.000 1.084 51 T CB 0.572 69.318 68.868 -0.203 0.000 0.992 51 T HN -0.493 7.763 8.240 -0.146 -0.103 0.547 52 A N 1.603 124.081 122.820 -0.570 0.000 1.958 52 A HA -0.451 3.365 4.320 -0.839 0.000 0.221 52 A C 1.891 179.263 177.584 -0.353 0.000 1.178 52 A CA 3.729 55.308 52.037 -0.763 0.000 0.642 52 A CB -0.470 17.779 19.000 -1.252 0.000 0.816 52 A HN 0.220 8.227 8.150 -0.581 -0.205 0.453 53 K N -2.212 118.030 120.400 -0.262 0.000 1.985 53 K HA -0.337 3.931 4.320 -0.086 0.000 0.210 53 K C 1.938 178.443 176.600 -0.158 0.000 1.047 53 K CA 3.444 59.642 56.287 -0.149 0.000 0.932 53 K CB -0.502 31.924 32.500 -0.123 0.000 0.716 53 K HN 0.040 8.115 8.250 -0.276 0.010 0.439 54 D N 0.154 120.427 120.400 -0.212 0.000 2.228 54 D HA -0.271 4.257 4.640 -0.186 0.000 0.203 54 D C 2.674 178.808 176.300 -0.277 0.000 0.988 54 D CA 2.980 56.845 54.000 -0.225 0.000 0.864 54 D CB -0.474 40.183 40.800 -0.239 0.000 0.928 54 D HN -0.746 7.490 8.370 -0.222 0.000 0.469 55 L N -0.532 120.440 121.223 -0.418 0.000 2.044 55 L HA -0.479 3.301 4.340 -0.932 0.000 0.205 55 L C 1.974 178.779 176.870 -0.109 0.000 1.075 55 L CA 3.422 57.841 54.840 -0.701 0.000 0.747 55 L CB -0.365 40.906 42.059 -1.313 0.000 0.903 55 L HN 0.334 8.178 8.230 -0.412 0.138 0.435 56 Q N -1.668 118.146 119.800 0.022 0.000 2.077 56 Q HA -0.433 4.113 4.340 0.342 0.000 0.206 56 Q C 2.544 178.652 176.000 0.180 0.000 0.989 56 Q CA 3.112 59.034 55.803 0.198 0.000 0.853 56 Q CB -0.972 27.868 28.738 0.169 0.000 0.907 56 Q HN 0.064 8.217 8.270 -0.059 0.081 0.418 57 D N -0.511 119.940 120.400 0.086 0.000 2.091 57 D HA -0.242 4.481 4.640 0.139 0.000 0.199 57 D C 1.870 178.273 176.300 0.172 0.000 0.980 57 D CA 2.739 56.799 54.000 0.100 0.000 0.831 57 D CB 0.448 41.250 40.800 0.002 0.000 0.987 57 D HN -0.641 7.736 8.370 0.011 0.000 0.460 58 L N -0.611 120.665 121.223 0.088 0.000 2.270 58 L HA -0.303 4.145 4.340 0.179 0.000 0.217 58 L C 1.927 179.071 176.870 0.457 0.000 1.107 58 L CA 2.374 57.333 54.840 0.198 0.000 0.772 58 L CB -0.253 41.822 42.059 0.025 0.000 0.902 58 L HN 0.069 8.161 8.230 -0.032 0.119 0.439 59 L N -1.597 119.888 121.223 0.437 0.000 2.049 59 L HA -0.284 4.439 4.340 0.638 0.000 0.203 59 L C 1.185 178.230 176.870 0.291 0.000 1.074 59 L CA 3.313 58.421 54.840 0.446 0.000 0.749 59 L CB 0.043 42.294 42.059 0.320 0.000 0.907 59 L HN -0.051 8.219 8.230 0.332 0.159 0.439 60 Q N -4.321 115.635 119.800 0.258 0.000 2.253 60 Q HA -0.137 4.300 4.340 0.162 0.000 0.210 60 Q C 0.390 176.527 176.000 0.229 0.000 0.907 60 Q CA 0.705 56.630 55.803 0.204 0.000 0.948 60 Q CB -0.723 28.127 28.738 0.186 0.000 1.033 60 Q HN -0.575 7.778 8.270 0.261 0.074 0.471 61 Y N -3.446 116.932 120.300 0.129 0.000 2.652 61 Y HA 0.100 4.698 4.550 0.080 0.000 0.275 61 Y C -1.310 174.659 175.900 0.116 0.000 1.133 61 Y CA 1.019 59.183 58.100 0.107 0.000 1.246 61 Y CB 1.830 40.354 38.460 0.107 0.000 1.334 61 Y HN -0.706 7.606 8.280 0.395 0.206 0.493 62 L N -1.120 120.262 121.223 0.265 0.000 2.187 62 L HA -0.092 4.260 4.340 0.020 0.000 0.197 62 L C 0.178 177.083 176.870 0.057 0.000 1.090 62 L CA 1.614 56.563 54.840 0.182 0.000 0.781 62 L CB 1.237 43.559 42.059 0.439 0.000 0.956 62 L HN -0.545 7.935 8.230 0.417 0.000 0.463 63 C N -4.257 115.089 119.300 0.077 0.000 2.411 63 C HA 0.098 4.504 4.460 -0.091 0.000 0.358 63 C C -0.519 174.462 174.990 -0.014 0.000 1.349 63 C CA -1.273 57.724 59.018 -0.036 0.000 2.326 63 C CB 1.554 29.230 27.740 -0.107 0.000 2.166 63 C HN -0.656 7.678 8.230 0.173 0.000 0.609 64 S N -1.546 114.131 115.700 -0.038 0.000 2.552 64 S HA 0.037 4.502 4.470 -0.008 0.000 0.271 64 S C 1.096 175.709 174.600 0.021 0.000 1.168 64 S CA -0.517 57.675 58.200 -0.014 0.000 1.026 64 S CB 0.795 63.977 63.200 -0.030 0.000 1.120 64 S HN -0.042 8.226 8.310 -0.070 0.000 0.514 65 S N 0.095 115.815 115.700 0.033 0.000 2.406 65 S HA -0.115 4.500 4.470 0.093 -0.089 0.224 65 S C 1.414 176.054 174.600 0.066 0.000 1.030 65 S CA 3.071 61.311 58.200 0.067 0.000 0.958 65 S CB -0.076 63.163 63.200 0.064 0.000 0.811 65 S HN 0.456 8.778 8.310 0.021 0.000 0.489 66 L N 2.765 124.009 121.223 0.034 0.000 1.955 66 L HA -0.254 4.111 4.340 0.043 0.000 0.213 66 L C 1.586 178.470 176.870 0.024 0.000 1.072 66 L CA 3.040 57.896 54.840 0.027 0.000 0.755 66 L CB -0.943 41.118 42.059 0.004 0.000 0.888 66 L HN -0.490 7.751 8.230 0.018 0.000 0.432 67 V N -0.991 118.915 119.914 -0.013 0.000 2.252 67 V HA -0.570 3.526 4.120 -0.040 0.000 0.249 67 V C 1.303 177.391 176.094 -0.010 0.000 1.056 67 V CA 4.526 66.801 62.300 -0.042 0.000 1.022 67 V CB -0.494 31.264 31.823 -0.108 0.000 0.641 67 V HN -0.099 8.075 8.190 -0.028 0.000 0.445 68 A N -2.068 120.752 122.820 0.000 0.000 1.958 68 A HA -0.385 3.856 4.320 -0.131 0.000 0.221 68 A C 2.157 179.790 177.584 0.083 0.000 1.178 68 A CA 3.126 55.154 52.037 -0.015 0.000 0.642 68 A CB -0.827 18.217 19.000 0.074 0.000 0.816 68 A HN -0.464 7.689 8.150 0.007 0.000 0.453 69 S N -1.086 114.728 115.700 0.190 0.000 2.371 69 S HA -0.251 4.511 4.470 0.486 0.000 0.224 69 S C 2.098 176.804 174.600 0.177 0.000 1.029 69 S CA 3.202 61.559 58.200 0.261 0.000 0.978 69 S CB 0.126 63.420 63.200 0.157 0.000 0.833 69 S HN -0.223 7.941 8.310 0.129 0.224 0.466 70 L N 2.189 123.469 121.223 0.094 0.000 2.017 70 L HA -0.443 3.926 4.340 0.048 0.000 0.208 70 L C 1.854 178.757 176.870 0.055 0.000 1.073 70 L CA 3.386 58.258 54.840 0.054 0.000 0.745 70 L CB -0.295 41.773 42.059 0.014 0.000 0.894 70 L HN 0.044 8.122 8.230 0.070 0.194 0.432 71 H N -1.224 117.804 119.070 -0.071 0.000 2.421 71 H HA -0.396 4.103 4.556 -0.096 0.000 0.298 71 H C 1.931 177.219 175.328 -0.066 0.000 1.087 71 H CA 3.449 59.429 56.048 -0.113 0.000 1.330 71 H CB 0.097 29.749 29.762 -0.184 0.000 1.388 71 H HN 0.653 8.899 8.280 0.124 0.108 0.526 72 H N -0.884 118.230 119.070 0.075 0.000 2.387 72 H HA -0.280 4.262 4.556 -0.024 0.000 0.299 72 H C 2.369 177.649 175.328 -0.079 0.000 1.099 72 H CA 3.965 60.022 56.048 0.015 0.000 1.315 72 H CB -0.424 29.409 29.762 0.119 0.000 1.380 72 H HN -0.043 8.231 8.280 0.165 0.106 0.513 73 Q N -0.541 119.295 119.800 0.061 0.000 2.016 73 Q HA -0.309 4.045 4.340 0.022 0.000 0.200 73 Q C 2.235 178.201 176.000 -0.058 0.000 0.978 73 Q CA 3.676 59.484 55.803 0.007 0.000 0.833 73 Q CB -0.133 28.613 28.738 0.014 0.000 0.895 73 Q HN -0.387 7.813 8.270 0.083 0.120 0.427 74 Q N 0.266 120.006 119.800 -0.100 0.000 2.061 74 Q HA -0.333 3.955 4.340 -0.085 0.000 0.204 74 Q C 2.928 178.821 176.000 -0.178 0.000 0.984 74 Q CA 3.451 59.178 55.803 -0.127 0.000 0.846 74 Q CB -0.228 28.433 28.738 -0.128 0.000 0.902 74 Q HN -0.536 7.680 8.270 -0.090 0.000 0.421 75 L N -0.850 120.192 121.223 -0.303 0.000 2.012 75 L HA -0.338 3.831 4.340 -0.286 0.000 0.210 75 L C 1.476 178.250 176.870 -0.160 0.000 1.073 75 L CA 3.415 58.074 54.840 -0.303 0.000 0.748 75 L CB -0.783 40.998 42.059 -0.464 0.000 0.891 75 L HN 0.625 8.489 8.230 -0.417 0.115 0.431 76 D N -0.515 119.825 120.400 -0.099 0.000 2.087 76 D HA -0.366 4.245 4.640 -0.047 0.000 0.192 76 D C 2.459 178.719 176.300 -0.067 0.000 0.993 76 D CA 3.537 57.504 54.000 -0.056 0.000 0.828 76 D CB -0.268 40.519 40.800 -0.022 0.000 0.968 76 D HN -0.163 8.080 8.370 -0.089 0.074 0.448 77 S N -0.118 115.543 115.700 -0.065 0.000 2.419 77 S HA -0.238 4.204 4.470 -0.047 0.000 0.235 77 S C 2.359 176.916 174.600 -0.071 0.000 1.019 77 S CA 3.289 61.454 58.200 -0.058 0.000 0.982 77 S CB -0.147 63.023 63.200 -0.049 0.000 0.789 77 S HN -0.144 8.128 8.310 -0.064 0.000 0.490 78 L N 2.026 123.193 121.223 -0.094 0.000 1.948 78 L HA -0.312 3.979 4.340 -0.082 0.000 0.212 78 L C 2.049 178.854 176.870 -0.108 0.000 1.074 78 L CA 3.413 58.192 54.840 -0.101 0.000 0.753 78 L CB -0.038 41.945 42.059 -0.127 0.000 0.888 78 L HN -0.027 7.904 8.230 -0.109 0.234 0.432 79 I N -1.015 119.475 120.570 -0.134 0.000 2.194 79 I HA -0.703 3.365 4.170 -0.170 0.000 0.246 79 I C 1.704 177.741 176.117 -0.134 0.000 1.093 79 I CA 4.659 65.866 61.300 -0.155 0.000 1.355 79 I CB -0.260 37.639 38.000 -0.167 0.000 1.046 79 I HN 0.270 8.394 8.210 -0.144 0.000 0.413 80 S N -1.206 114.436 115.700 -0.098 0.000 2.380 80 S HA -0.521 3.904 4.470 -0.074 0.000 0.229 80 S C 1.980 176.539 174.600 -0.068 0.000 1.043 80 S CA 3.914 62.070 58.200 -0.073 0.000 1.038 80 S CB -0.234 62.935 63.200 -0.050 0.000 0.872 80 S HN 0.267 8.527 8.310 -0.089 -0.003 0.456 81 E N 0.121 120.281 120.200 -0.068 0.000 2.208 81 E HA -0.197 4.127 4.350 -0.043 0.000 0.193 81 E C 1.585 178.148 176.600 -0.061 0.000 0.988 81 E CA 2.176 58.543 56.400 -0.055 0.000 0.828 81 E CB 0.052 29.724 29.700 -0.048 0.000 0.763 81 E HN -0.122 8.075 8.360 -0.073 0.120 0.478 82 A N 0.650 123.417 122.820 -0.089 0.000 1.832 82 A HA -0.259 4.020 4.320 -0.069 0.000 0.214 82 A C 2.122 179.644 177.584 -0.102 0.000 1.200 82 A CA 3.163 55.140 52.037 -0.100 0.000 0.610 82 A CB -0.835 18.080 19.000 -0.142 0.000 0.842 82 A HN 0.057 7.988 8.150 -0.104 0.157 0.444 83 E N -2.435 117.675 120.200 -0.150 0.000 2.130 83 E HA -0.414 3.864 4.350 -0.121 0.000 0.196 83 E C 2.879 179.456 176.600 -0.038 0.000 0.998 83 E CA 2.855 59.185 56.400 -0.116 0.000 0.806 83 E CB -0.237 29.384 29.700 -0.132 0.000 0.738 83 E HN 0.030 8.278 8.360 -0.185 0.000 0.459 84 T N -0.079 114.451 114.554 -0.040 0.000 2.737 84 T HA -0.276 4.070 4.350 -0.008 0.000 0.265 84 T C 1.567 176.260 174.700 -0.012 0.000 1.038 84 T CA 3.531 65.620 62.100 -0.019 0.000 1.144 84 T CB 0.145 69.000 68.868 -0.022 0.000 0.866 84 T HN -0.658 7.544 8.240 -0.056 0.004 0.434 85 R N -0.282 120.207 120.500 -0.019 0.000 2.323 85 R HA 0.009 4.345 4.340 -0.006 0.000 0.198 85 R C -0.220 176.078 176.300 -0.002 0.000 0.988 85 R CA -0.329 55.764 56.100 -0.011 0.000 1.041 85 R CB 0.422 30.713 30.300 -0.015 0.000 0.926 85 R HN -0.203 7.862 8.270 -0.031 0.185 0.476 86 G N -0.008 108.792 108.800 0.001 0.000 2.815 86 G HA2 -0.257 3.799 3.960 0.036 0.000 0.234 86 G HA3 -0.257 3.718 3.960 0.026 0.000 0.234 86 G C -0.803 174.111 174.900 0.024 0.000 0.971 86 G CA -0.152 44.961 45.100 0.022 0.000 1.124 86 G HN -0.744 7.393 8.290 -0.008 0.148 0.435 87 I N 2.421 123.005 120.570 0.024 0.000 2.948 87 I HA -0.297 3.876 4.170 0.005 0.000 0.290 87 I C 1.848 178.009 176.117 0.074 0.000 1.226 87 I CA -0.381 60.938 61.300 0.032 0.000 1.413 87 I CB 0.513 38.513 38.000 0.001 0.000 1.352 87 I HN -0.199 8.020 8.210 0.014 0.000 0.597 88 T N 5.435 120.026 114.554 0.063 0.000 2.399 88 T HA -0.241 4.136 4.350 0.046 0.000 0.242 88 T C 0.271 175.018 174.700 0.077 0.000 1.348 88 T CA 2.159 64.296 62.100 0.061 0.000 1.200 88 T CB 0.409 69.310 68.868 0.055 0.000 0.862 88 T HN 0.276 8.545 8.240 0.050 0.000 0.404 89 G N -0.672 108.185 108.800 0.095 0.000 4.943 89 G HA2 0.109 4.114 3.960 0.076 0.000 0.315 89 G HA3 0.109 4.105 3.960 0.060 0.000 0.315 89 G C -2.101 172.874 174.900 0.126 0.000 1.437 89 G CA -0.697 44.456 45.100 0.087 0.000 1.027 89 G HN -0.303 8.048 8.290 0.101 0.000 0.567 90 Y N 1.272 121.586 120.300 0.024 0.000 2.304 90 Y HA -0.044 4.701 4.550 0.034 -0.174 0.327 90 Y C -1.064 174.850 175.900 0.023 0.000 1.209 90 Y CA -0.080 58.037 58.100 0.029 0.000 1.299 90 Y CB 1.695 40.173 38.460 0.031 0.000 1.249 90 Y HN -0.799 7.643 8.280 0.269 0.000 0.519 91 N N 6.974 125.213 118.700 -0.768 0.000 2.621 91 N HA 0.436 4.953 4.740 -0.371 0.000 0.237 91 N C -1.635 173.309 175.510 -0.944 0.000 0.997 91 N CA -2.455 50.228 53.050 -0.612 0.000 0.918 91 N CB 1.043 39.341 38.487 -0.315 0.000 1.122 91 N HN 0.456 8.775 8.380 -0.818 -0.430 0.510 92 P HA -0.044 4.155 4.420 -0.368 0.000 0.222 92 P C 0.326 177.537 177.300 -0.148 0.000 1.153 92 P CA 1.298 64.208 63.100 -0.316 0.000 0.798 92 P CB 0.253 31.974 31.700 0.035 0.000 0.796 93 L N -3.871 117.267 121.223 -0.142 0.000 2.127 93 L HA -0.178 4.135 4.340 -0.046 0.000 0.211 93 L C 0.912 177.737 176.870 -0.075 0.000 1.089 93 L CA 2.101 56.893 54.840 -0.079 0.000 0.757 93 L CB -1.859 40.159 42.059 -0.068 0.000 0.899 93 L HN -0.414 7.699 8.230 -0.169 0.016 0.434 94 A N -0.711 122.038 122.820 -0.117 0.000 1.832 94 A HA -0.186 4.100 4.320 -0.057 0.000 0.214 94 A C 0.664 178.224 177.584 -0.040 0.000 1.200 94 A CA 1.163 53.152 52.037 -0.081 0.000 0.610 94 A CB 0.711 19.647 19.000 -0.106 0.000 0.842 94 A HN -0.299 7.630 8.150 -0.187 0.109 0.444 95 G N -3.737 105.043 108.800 -0.033 0.000 2.697 95 G HA2 -0.169 3.828 3.960 0.061 0.000 0.200 95 G HA3 -0.169 3.810 3.960 0.032 0.000 0.200 95 G C -2.370 172.588 174.900 0.097 0.000 1.106 95 G CA -0.366 44.758 45.100 0.040 0.000 0.748 95 G HN -0.123 8.110 8.290 -0.095 0.000 0.503 96 P HA 0.252 4.747 4.420 0.126 0.000 0.276 96 P C -1.115 176.302 177.300 0.196 0.000 1.252 96 P CA -0.475 62.692 63.100 0.112 0.000 0.802 96 P CB 0.519 32.258 31.700 0.066 0.000 1.035 97 L N -1.304 120.061 121.223 0.238 0.000 2.641 97 L HA 0.196 4.801 4.340 0.441 0.000 0.207 97 L C 0.830 177.860 176.870 0.266 0.000 1.049 97 L CA 1.733 56.777 54.840 0.340 0.000 0.866 97 L CB 1.801 44.061 42.059 0.335 0.000 1.264 97 L HN 0.217 8.569 8.230 0.202 0.000 0.483 98 R N -0.841 119.787 120.500 0.213 0.000 2.237 98 R HA -0.238 3.967 4.340 -0.225 0.000 0.219 98 R C 1.065 177.326 176.300 -0.065 0.000 1.080 98 R CA 2.400 58.486 56.100 -0.023 0.000 0.995 98 R CB -1.643 28.646 30.300 -0.019 0.000 0.875 98 R HN 0.131 8.543 8.270 0.237 0.000 0.462 99 V N 0.001 119.924 119.914 0.015 0.000 2.239 99 V HA -0.336 3.764 4.120 -0.032 0.000 0.242 99 V C 1.918 178.006 176.094 -0.010 0.000 1.038 99 V CA 3.453 65.749 62.300 -0.006 0.000 1.002 99 V CB -0.371 31.458 31.823 0.011 0.000 0.641 99 V HN -0.157 8.029 8.190 0.069 0.045 0.449 100 Q N -0.593 119.222 119.800 0.026 0.000 2.500 100 Q HA -0.225 4.116 4.340 0.001 0.000 0.213 100 Q C 0.806 176.829 176.000 0.037 0.000 0.974 100 Q CA 2.608 58.426 55.803 0.026 0.000 0.918 100 Q CB -0.912 27.845 28.738 0.031 0.000 0.980 100 Q HN 0.244 8.546 8.270 0.054 0.000 0.505 101 A N -0.698 122.133 122.820 0.019 0.000 1.975 101 A HA -0.037 4.317 4.320 0.057 0.000 0.215 101 A C -0.224 177.302 177.584 -0.097 0.000 1.170 101 A CA 1.780 53.804 52.037 -0.020 0.000 0.656 101 A CB 0.474 19.409 19.000 -0.109 0.000 0.821 101 A HN -0.358 7.693 8.150 0.009 0.104 0.449 102 N N -3.336 115.293 118.700 -0.118 0.000 2.314 102 N HA -0.051 4.611 4.740 -0.131 0.000 0.200 102 N C -0.952 174.517 175.510 -0.067 0.000 1.135 102 N CA -0.370 52.611 53.050 -0.116 0.000 0.835 102 N CB -0.314 38.093 38.487 -0.133 0.000 0.989 102 N HN -0.432 7.779 8.380 -0.107 0.105 0.478 103 N N 0.601 119.275 118.700 -0.043 0.000 2.515 103 N HA 0.129 4.849 4.740 -0.033 0.000 0.279 103 N C -0.942 174.555 175.510 -0.022 0.000 1.164 103 N CA -2.176 50.857 53.050 -0.028 0.000 0.982 103 N CB 1.232 39.710 38.487 -0.015 0.000 1.170 103 N HN -0.301 7.859 8.380 -0.035 0.199 0.474 104 P HA 0.001 4.411 4.420 -0.016 0.000 0.221 104 P C -0.309 176.986 177.300 -0.008 0.000 1.155 104 P CA 1.648 64.739 63.100 -0.015 0.000 0.812 104 P CB 0.579 32.269 31.700 -0.017 0.000 0.801 105 Q N -2.960 116.836 119.800 -0.007 0.000 2.049 105 Q HA -0.254 4.085 4.340 -0.002 0.000 0.198 105 Q C 1.097 177.101 176.000 0.006 0.000 0.971 105 Q CA 1.503 57.305 55.803 -0.002 0.000 0.833 105 Q CB -0.748 27.988 28.738 -0.004 0.000 0.896 105 Q HN -0.367 7.897 8.270 -0.010 0.000 0.434 106 Q N 0.030 119.836 119.800 0.009 0.000 3.004 106 Q HA -0.007 4.351 4.340 0.029 0.000 0.256 106 Q C 0.030 176.046 176.000 0.027 0.000 1.387 106 Q CA 0.014 55.833 55.803 0.026 0.000 0.962 106 Q CB -1.985 26.776 28.738 0.038 0.000 1.676 106 Q HN 0.045 8.318 8.270 0.004 0.000 0.568 107 Q N 1.466 121.279 119.800 0.022 0.000 2.398 107 Q HA -0.056 4.292 4.340 0.014 0.000 0.204 107 Q C 0.946 176.965 176.000 0.032 0.000 0.932 107 Q CA 2.272 58.087 55.803 0.019 0.000 0.916 107 Q CB 0.359 29.104 28.738 0.011 0.000 1.024 107 Q HN -0.275 7.973 8.270 0.019 0.034 0.504 108 G N 0.729 109.554 108.800 0.041 0.000 2.434 108 G HA2 -0.237 3.746 3.960 0.039 0.000 0.214 108 G HA3 -0.237 3.753 3.960 0.050 0.000 0.214 108 G C 0.646 175.586 174.900 0.068 0.000 1.202 108 G CA 1.634 46.763 45.100 0.048 0.000 0.788 108 G HN 0.515 8.795 8.290 0.040 0.033 0.539 109 L N 1.219 122.496 121.223 0.091 0.000 2.376 109 L HA -0.159 4.249 4.340 0.114 0.000 0.219 109 L C 1.412 178.371 176.870 0.149 0.000 1.133 109 L CA 1.173 56.091 54.840 0.129 0.000 0.816 109 L CB -0.170 41.994 42.059 0.176 0.000 0.933 109 L HN -0.205 8.079 8.230 0.091 0.000 0.449 110 R N -0.153 120.402 120.500 0.093 0.000 2.061 110 R HA -0.320 4.157 4.340 0.048 -0.108 0.230 110 R C 2.073 178.418 176.300 0.076 0.000 1.140 110 R CA 3.611 59.746 56.100 0.058 0.000 0.940 110 R CB -0.239 30.069 30.300 0.013 0.000 0.839 110 R HN -0.497 7.749 8.270 0.071 0.067 0.429 111 R N -3.429 117.106 120.500 0.060 0.000 2.115 111 R HA -0.181 4.359 4.340 0.041 -0.175 0.230 111 R C 2.427 178.777 176.300 0.083 0.000 1.111 111 R CA 2.471 58.603 56.100 0.054 0.000 0.976 111 R CB -0.660 29.660 30.300 0.033 0.000 0.870 111 R HN -0.380 7.919 8.270 0.050 0.000 0.445 112 E N 0.536 120.794 120.200 0.096 0.000 2.072 112 E HA -0.293 4.096 4.350 0.065 0.000 0.191 112 E C 1.791 178.470 176.600 0.131 0.000 0.985 112 E CA 2.433 58.887 56.400 0.090 0.000 0.801 112 E CB -0.607 29.134 29.700 0.069 0.000 0.750 112 E HN -0.385 7.936 8.360 0.093 0.095 0.452 113 Y N 0.092 120.419 120.300 0.045 0.000 2.181 113 Y HA -0.405 4.199 4.550 0.091 0.000 0.288 113 Y C 2.346 178.308 175.900 0.104 0.000 1.146 113 Y CA 3.519 61.663 58.100 0.072 0.000 1.164 113 Y CB 0.041 38.527 38.460 0.044 0.000 0.982 113 Y HN 0.078 8.421 8.280 0.286 0.108 0.515 114 Q N -1.885 118.105 119.800 0.316 0.000 2.096 114 Q HA -0.481 3.973 4.340 0.191 0.000 0.204 114 Q C 2.444 178.577 176.000 0.222 0.000 0.982 114 Q CA 3.671 59.593 55.803 0.198 0.000 0.850 114 Q CB -0.327 28.448 28.738 0.061 0.000 0.901 114 Q HN -0.340 8.073 8.270 0.238 0.000 0.422 115 Q N 0.245 120.141 119.800 0.159 0.000 2.008 115 Q HA -0.308 4.105 4.340 0.121 0.000 0.196 115 Q C 2.033 178.109 176.000 0.126 0.000 0.973 115 Q CA 3.272 59.148 55.803 0.121 0.000 0.826 115 Q CB 0.319 29.100 28.738 0.070 0.000 0.894 115 Q HN -0.600 7.665 8.270 0.138 0.087 0.439 116 L N 0.044 121.319 121.223 0.085 0.000 2.137 116 L HA -0.357 3.987 4.340 0.007 0.000 0.213 116 L C 1.411 178.320 176.870 0.064 0.000 1.085 116 L CA 3.493 58.346 54.840 0.022 0.000 0.760 116 L CB -0.377 41.644 42.059 -0.063 0.000 0.893 116 L HN 0.430 8.601 8.230 0.076 0.106 0.434 117 W N -0.710 120.571 121.300 -0.031 0.000 2.378 117 W HA -0.370 4.347 4.660 0.095 0.000 0.313 117 W C 1.371 177.951 176.519 0.101 0.000 1.197 117 W CA 4.723 62.105 57.345 0.062 0.000 1.304 117 W CB 0.197 29.724 29.460 0.113 0.000 1.148 117 W HN 0.154 8.404 8.180 0.318 0.120 0.494 118 L N -2.634 118.740 121.223 0.252 0.000 2.187 118 L HA -0.567 3.759 4.340 -0.024 0.000 0.213 118 L C 2.220 179.143 176.870 0.087 0.000 1.100 118 L CA 2.640 57.552 54.840 0.119 0.000 0.765 118 L CB -0.688 41.470 42.059 0.165 0.000 0.904 118 L HN -0.551 7.837 8.230 0.376 0.068 0.437 119 A N -0.244 122.612 122.820 0.060 0.000 1.835 119 A HA -0.367 3.976 4.320 0.038 0.000 0.215 119 A C 1.834 179.427 177.584 0.016 0.000 1.199 119 A CA 3.108 55.162 52.037 0.029 0.000 0.615 119 A CB -1.078 17.924 19.000 0.004 0.000 0.838 119 A HN 0.314 8.359 8.150 0.075 0.149 0.444 120 A N -2.477 120.331 122.820 -0.020 0.000 2.024 120 A HA -0.280 4.008 4.320 -0.053 0.000 0.220 120 A C 2.094 179.741 177.584 0.105 0.000 1.164 120 A CA 2.375 54.397 52.037 -0.026 0.000 0.643 120 A CB -0.554 18.283 19.000 -0.270 0.000 0.806 120 A HN -0.564 7.556 8.150 -0.050 0.000 0.451 121 F N -1.526 118.319 119.950 -0.175 0.000 2.206 121 F HA -0.261 4.100 4.527 -0.277 0.000 0.298 121 F C 1.688 177.451 175.800 -0.063 0.000 1.090 121 F CA 2.243 60.088 58.000 -0.259 0.000 1.323 121 F CB 0.373 39.065 39.000 -0.515 0.000 1.028 121 F HN -0.334 7.883 8.300 0.087 0.135 0.492 122 A N -2.490 120.388 122.820 0.096 0.000 2.275 122 A HA 0.158 4.522 4.320 0.073 0.000 0.212 122 A C 0.042 177.637 177.584 0.018 0.000 1.201 122 A CA 0.520 52.596 52.037 0.064 0.000 0.843 122 A CB -0.804 18.245 19.000 0.081 0.000 0.873 122 A HN -0.127 7.987 8.150 0.112 0.103 0.492 123 A N -2.372 120.449 122.820 0.003 0.000 2.251 123 A HA 0.076 4.390 4.320 -0.010 0.000 0.209 123 A C -0.152 177.413 177.584 -0.031 0.000 1.187 123 A CA -0.021 52.008 52.037 -0.015 0.000 0.823 123 A CB -0.011 18.976 19.000 -0.022 0.000 0.846 123 A HN -0.284 7.747 8.150 0.013 0.127 0.486 124 L N -0.758 120.434 121.223 -0.050 0.000 2.439 124 L HA 0.254 4.557 4.340 -0.062 0.000 0.261 124 L C -0.792 176.037 176.870 -0.068 0.000 1.153 124 L CA -2.975 51.819 54.840 -0.076 0.000 0.808 124 L CB -0.148 41.828 42.059 -0.139 0.000 1.126 124 L HN -0.806 7.318 8.230 -0.053 0.074 0.460 125 P HA 0.029 4.421 4.420 -0.047 0.000 0.228 125 P C -0.697 176.556 177.300 -0.078 0.000 1.748 125 P CA -0.421 62.644 63.100 -0.059 0.000 0.909 125 P CB -2.142 29.528 31.700 -0.049 0.000 1.882 126 G N 0.420 109.167 108.800 -0.088 0.000 2.683 126 G HA2 -0.301 3.611 3.960 -0.081 0.000 0.234 126 G HA3 -0.301 3.599 3.960 -0.101 0.000 0.234 126 G C -0.280 174.494 174.900 -0.210 0.000 1.135 126 G CA -0.346 44.687 45.100 -0.112 0.000 0.975 126 G HN -0.017 8.139 8.290 -0.075 0.089 0.511 127 S N 1.211 116.765 115.700 -0.242 0.000 2.553 127 S HA -0.297 3.929 4.470 -0.407 0.000 0.293 127 S C -0.013 174.063 174.600 -0.874 0.000 1.296 127 S CA 1.138 59.059 58.200 -0.466 0.000 1.046 127 S CB 0.362 63.361 63.200 -0.335 0.000 0.810 127 S HN -0.156 8.063 8.310 -0.151 0.000 0.505 128 A N 4.182 126.392 122.820 -1.016 0.000 2.389 128 A HA -0.207 3.624 4.320 -0.814 0.000 0.668 128 A C -2.661 174.624 177.584 -0.497 0.000 0.196 128 A CA 0.584 52.016 52.037 -1.009 0.000 0.132 128 A CB -0.333 17.628 19.000 -1.731 0.000 3.869 128 A HN 0.424 8.112 8.150 -0.771 0.000 0.534 129 K N 2.964 123.157 120.400 -0.345 0.000 2.589 129 K HA 0.124 4.313 4.320 -0.219 0.000 0.265 129 K C -2.528 173.944 176.600 -0.213 0.000 0.935 129 K CA -0.337 55.807 56.287 -0.239 0.000 0.850 129 K CB 3.076 35.456 32.500 -0.201 0.000 1.372 129 K HN 0.096 8.148 8.250 -0.330 0.000 0.420 130 D N 3.305 123.575 120.400 -0.218 0.000 2.141 130 D HA 0.136 4.615 4.640 -0.268 0.000 0.146 130 D C -2.490 173.602 176.300 -0.348 0.000 1.035 130 D CA -0.358 53.486 54.000 -0.261 0.000 0.976 130 D CB 1.028 41.700 40.800 -0.213 0.000 3.523 130 D HN -0.018 8.228 8.370 -0.208 0.000 0.515 131 P HA 0.227 4.266 4.420 -0.636 0.000 0.275 131 P C 0.273 177.106 177.300 -0.778 0.000 1.228 131 P CA -0.857 61.684 63.100 -0.931 0.000 0.786 131 P CB 1.226 31.667 31.700 -2.098 0.000 0.927 132 S N 1.543 116.897 115.700 -0.577 0.000 2.436 132 S HA -0.053 4.278 4.470 -0.233 0.000 0.228 132 S C 1.845 176.335 174.600 -0.184 0.000 1.014 132 S CA 2.622 60.657 58.200 -0.275 0.000 0.950 132 S CB 0.116 63.251 63.200 -0.109 0.000 0.784 132 S HN 0.705 8.710 8.310 -0.509 0.000 0.504 133 W N -2.083 119.208 121.300 -0.014 0.000 2.699 133 W HA -0.098 4.558 4.660 -0.006 0.000 0.249 133 W C -0.064 176.462 176.519 0.012 0.000 1.280 133 W CA -0.409 56.930 57.345 -0.010 0.000 1.345 133 W CB -1.910 27.528 29.460 -0.037 0.000 1.128 133 W HN 0.148 7.821 8.180 -0.822 0.015 0.642 134 A N 0.689 123.349 122.820 -0.266 0.000 2.172 134 A HA -0.102 4.273 4.320 0.091 0.000 0.216 134 A C 0.012 177.587 177.584 -0.015 0.000 1.154 134 A CA 1.722 53.660 52.037 -0.165 0.000 0.701 134 A CB -0.437 18.299 19.000 -0.440 0.000 0.789 134 A HN -0.630 6.890 8.150 -0.729 0.193 0.465 135 S N -3.392 112.312 115.700 0.005 0.000 2.941 135 S HA 0.122 4.614 4.470 0.038 0.000 0.251 135 S C -0.867 173.794 174.600 0.102 0.000 1.029 135 S CA -0.172 58.049 58.200 0.034 0.000 1.062 135 S CB 1.388 64.580 63.200 -0.013 0.000 0.977 135 S HN -0.458 7.672 8.310 -0.009 0.175 0.552 136 I N 4.465 125.148 120.570 0.188 0.000 2.355 136 I HA 0.054 4.377 4.170 0.255 0.000 0.288 136 I C -2.210 174.189 176.117 0.469 0.000 0.999 136 I CA 0.122 61.602 61.300 0.300 0.000 1.163 136 I CB 1.047 39.203 38.000 0.261 0.000 1.316 136 I HN -0.337 7.897 8.210 0.215 0.106 0.454 137 L N 1.931 123.383 121.223 0.381 0.000 2.409 137 L HA 0.398 5.010 4.340 0.304 -0.090 0.255 137 L C -1.634 174.844 176.870 -0.652 0.000 1.027 137 L CA -2.178 52.687 54.840 0.041 0.000 0.834 137 L CB 2.691 44.751 42.059 0.000 0.000 1.426 137 L HN -0.056 8.331 8.230 0.261 0.000 0.411 138 Q N 0.999 120.064 119.800 -1.226 0.000 2.349 138 Q HA 0.121 3.843 4.340 -1.030 0.000 0.254 138 Q C -0.351 175.421 176.000 -0.379 0.000 0.980 138 Q CA -0.838 54.350 55.803 -1.025 0.000 0.924 138 Q CB 1.706 29.870 28.738 -0.955 0.000 1.209 138 Q HN -0.164 7.531 8.270 -0.959 0.000 0.445 139 G N 4.819 113.494 108.800 -0.208 0.000 2.634 139 G HA2 -0.089 3.818 3.960 -0.089 0.000 0.255 139 G HA3 -0.089 3.974 3.960 -0.039 -0.126 0.255 139 G C 0.640 175.529 174.900 -0.019 0.000 1.205 139 G CA -1.040 44.011 45.100 -0.082 0.000 0.884 139 G HN 0.386 8.564 8.290 -0.186 0.000 0.549 140 L N -0.758 120.474 121.223 0.015 0.000 2.083 140 L HA -0.153 4.226 4.340 0.066 0.000 0.209 140 L C 0.002 176.981 176.870 0.183 0.000 1.083 140 L CA 2.379 57.267 54.840 0.080 0.000 0.752 140 L CB -0.217 41.875 42.059 0.055 0.000 0.899 140 L HN 0.440 8.671 8.230 0.000 0.000 0.433 141 E N -2.083 118.189 120.200 0.119 0.000 2.723 141 E HA 0.085 4.527 4.350 0.153 0.000 0.219 141 E C -1.687 174.980 176.600 0.112 0.000 1.060 141 E CA -0.654 55.815 56.400 0.116 0.000 1.291 141 E CB 0.262 29.997 29.700 0.059 0.000 1.265 141 E HN 0.014 8.410 8.360 0.071 0.007 0.438 142 E N 0.566 120.859 120.200 0.155 0.000 2.277 142 E HA 0.343 4.758 4.350 0.109 0.000 0.266 142 E C -2.574 174.165 176.600 0.232 0.000 0.901 142 E CA -3.351 53.128 56.400 0.131 0.000 0.782 142 E CB 2.497 32.226 29.700 0.048 0.000 1.228 142 E HN -0.664 7.679 8.360 0.198 0.136 0.424 143 P HA 0.124 4.760 4.420 0.360 0.000 0.276 143 P C -0.936 176.563 177.300 0.331 0.000 1.264 143 P CA -0.493 62.771 63.100 0.273 0.000 0.769 143 P CB 0.623 32.420 31.700 0.162 0.000 0.840 144 Y N 7.431 127.905 120.300 0.289 0.000 2.153 144 Y HA -0.465 4.248 4.550 0.273 0.000 0.289 144 Y C 0.339 176.453 175.900 0.357 0.000 1.127 144 Y CA 4.522 62.792 58.100 0.282 0.000 1.131 144 Y CB 0.440 39.002 38.460 0.170 0.000 0.995 144 Y HN 0.442 9.105 8.280 0.638 0.000 0.505 145 H N -0.261 118.939 119.070 0.217 0.000 2.321 145 H HA -0.441 4.056 4.556 -0.097 0.000 0.295 145 H C 1.494 176.818 175.328 -0.007 0.000 1.102 145 H CA 3.289 59.370 56.048 0.055 0.000 1.266 145 H CB -0.108 29.759 29.762 0.175 0.000 1.363 145 H HN 0.222 8.893 8.280 0.651 0.000 0.492 146 A N -2.108 120.615 122.820 -0.161 0.000 1.898 146 A HA -0.282 3.796 4.320 -0.402 0.000 0.216 146 A C 1.860 179.412 177.584 -0.054 0.000 1.181 146 A CA 2.777 54.686 52.037 -0.214 0.000 0.620 146 A CB -0.835 18.092 19.000 -0.121 0.000 0.819 146 A HN 0.340 8.488 8.150 -0.004 0.000 0.442 147 F N 0.304 120.195 119.950 -0.098 0.000 2.126 147 F HA -0.400 4.100 4.527 -0.044 0.000 0.299 147 F C 1.420 177.141 175.800 -0.132 0.000 1.096 147 F CA 3.190 61.142 58.000 -0.080 0.000 1.255 147 F CB 0.049 39.027 39.000 -0.035 0.000 0.997 147 F HN -0.340 7.918 8.300 0.236 0.184 0.479 148 V N 0.107 119.817 119.914 -0.340 0.000 2.261 148 V HA -0.713 3.032 4.120 -0.626 0.000 0.246 148 V C 1.681 177.590 176.094 -0.308 0.000 1.047 148 V CA 5.334 67.366 62.300 -0.446 0.000 1.015 148 V CB -0.374 31.190 31.823 -0.432 0.000 0.642 148 V HN 0.751 8.713 8.190 -0.185 0.118 0.446 149 E N -0.543 119.551 120.200 -0.177 0.000 2.049 149 E HA -0.433 3.865 4.350 -0.088 0.000 0.198 149 E C 2.152 178.665 176.600 -0.146 0.000 1.007 149 E CA 3.579 59.909 56.400 -0.115 0.000 0.809 149 E CB -0.223 29.433 29.700 -0.073 0.000 0.749 149 E HN -0.433 7.848 8.360 -0.133 0.000 0.450 150 R N -0.802 119.600 120.500 -0.163 0.000 2.127 150 R HA -0.297 3.988 4.340 -0.090 0.000 0.238 150 R C 2.243 178.433 176.300 -0.183 0.000 1.134 150 R CA 3.073 59.092 56.100 -0.135 0.000 0.975 150 R CB -0.192 30.052 30.300 -0.093 0.000 0.865 150 R HN 0.109 8.282 8.270 -0.162 0.000 0.447 151 L N -1.087 119.931 121.223 -0.342 0.000 2.012 151 L HA -0.468 3.694 4.340 -0.297 0.000 0.210 151 L C 1.784 178.522 176.870 -0.220 0.000 1.073 151 L CA 3.297 57.916 54.840 -0.369 0.000 0.748 151 L CB -0.398 41.277 42.059 -0.640 0.000 0.891 151 L HN 0.382 8.124 8.230 -0.449 0.218 0.431 152 N N -1.078 117.503 118.700 -0.198 0.000 2.069 152 N HA -0.358 4.282 4.740 -0.167 0.000 0.191 152 N C 2.000 177.454 175.510 -0.094 0.000 1.031 152 N CA 3.659 56.623 53.050 -0.143 0.000 0.852 152 N CB 0.002 38.422 38.487 -0.112 0.000 1.018 152 N HN -0.456 7.716 8.380 -0.216 0.079 0.423 153 I N 0.375 120.900 120.570 -0.076 0.000 2.072 153 I HA -0.581 3.570 4.170 -0.031 0.000 0.235 153 I C 1.368 177.481 176.117 -0.007 0.000 1.058 153 I CA 4.550 65.827 61.300 -0.038 0.000 1.320 153 I CB -0.056 37.923 38.000 -0.034 0.000 1.047 153 I HN -0.448 7.639 8.210 -0.093 0.068 0.397 154 A N -1.513 121.308 122.820 0.002 0.000 2.042 154 A HA -0.338 4.018 4.320 0.061 0.000 0.222 154 A C 1.958 179.640 177.584 0.163 0.000 1.167 154 A CA 2.902 54.981 52.037 0.069 0.000 0.649 154 A CB -0.921 18.122 19.000 0.071 0.000 0.809 154 A HN 0.178 8.213 8.150 -0.028 0.099 0.457 155 L N -1.938 119.327 121.223 0.071 0.000 1.973 155 L HA -0.407 4.044 4.340 0.186 0.000 0.208 155 L C 2.125 179.029 176.870 0.057 0.000 1.073 155 L CA 3.204 58.052 54.840 0.015 0.000 0.746 155 L CB -0.178 41.739 42.059 -0.237 0.000 0.891 155 L HN -0.252 7.737 8.230 -0.019 0.229 0.433 156 D N -1.176 119.225 120.400 0.002 0.000 2.271 156 D HA -0.283 4.356 4.640 -0.001 0.000 0.207 156 D C 2.965 179.292 176.300 0.043 0.000 0.983 156 D CA 2.903 56.909 54.000 0.010 0.000 0.878 156 D CB -0.568 40.227 40.800 -0.008 0.000 0.920 156 D HN 0.331 8.579 8.370 -0.029 0.105 0.479 157 N N -1.614 117.127 118.700 0.067 0.000 2.396 157 N HA -0.135 4.630 4.740 0.042 0.000 0.180 157 N C 0.733 176.296 175.510 0.088 0.000 1.028 157 N CA 1.810 54.900 53.050 0.066 0.000 0.893 157 N CB 0.987 39.512 38.487 0.063 0.000 0.967 157 N HN -0.056 8.280 8.380 0.075 0.089 0.440 158 G N -2.513 106.386 108.800 0.164 0.000 4.867 158 G HA2 0.172 4.197 3.960 0.108 0.000 0.258 158 G HA3 0.172 4.259 3.960 0.210 0.000 0.258 158 G C -2.235 172.833 174.900 0.279 0.000 0.999 158 G CA 0.133 45.351 45.100 0.198 0.000 0.797 158 G HN 0.475 8.702 8.290 0.206 0.186 0.505 159 L N 1.434 122.748 121.223 0.151 0.000 2.372 159 L HA 0.538 4.958 4.340 0.133 0.000 0.274 159 L C -2.248 174.650 176.870 0.046 0.000 0.988 159 L CA -2.963 51.931 54.840 0.090 0.000 0.833 159 L CB 1.929 43.989 42.059 0.003 0.000 1.236 159 L HN -0.825 7.380 8.230 0.103 0.087 0.410 160 P HA 0.318 4.751 4.420 0.022 0.000 0.274 160 P C -0.034 177.270 177.300 0.007 0.000 1.256 160 P CA -1.198 61.916 63.100 0.024 0.000 0.795 160 P CB 1.130 32.845 31.700 0.025 0.000 1.038 161 E N -2.200 118.002 120.200 0.003 0.000 2.482 161 E HA -0.143 4.203 4.350 -0.008 0.000 0.196 161 E C 0.637 177.234 176.600 -0.005 0.000 1.047 161 E CA 1.129 57.527 56.400 -0.004 0.000 0.869 161 E CB -0.161 29.537 29.700 -0.003 0.000 0.836 161 E HN 0.137 8.500 8.360 0.005 0.000 0.520 162 G N -0.883 107.916 108.800 -0.002 0.000 3.936 162 G HA2 0.174 4.131 3.960 -0.006 0.000 0.296 162 G HA3 0.174 4.133 3.960 -0.001 0.000 0.296 162 G C -1.280 173.619 174.900 -0.002 0.000 1.121 162 G CA -0.141 44.957 45.100 -0.003 0.000 0.899 162 G HN -0.150 8.081 8.290 0.003 0.060 0.542 163 T N 1.819 116.369 114.554 -0.007 0.000 2.956 163 T HA 0.234 4.579 4.350 -0.008 0.000 0.312 163 T C -2.617 172.063 174.700 -0.032 0.000 1.151 163 T CA -1.997 60.097 62.100 -0.011 0.000 1.024 163 T CB 2.566 71.438 68.868 0.007 0.000 1.140 163 T HN -0.778 7.389 8.240 -0.010 0.067 0.473 164 P HA 0.158 4.547 4.420 -0.053 0.000 0.276 164 P C -1.275 175.966 177.300 -0.099 0.000 1.235 164 P CA -0.666 62.400 63.100 -0.058 0.000 0.772 164 P CB 0.842 32.513 31.700 -0.047 0.000 0.871 165 K N 3.691 124.027 120.400 -0.107 0.000 2.403 165 K HA -0.103 4.084 4.320 -0.222 0.000 0.199 165 K C 0.689 177.205 176.600 -0.139 0.000 1.199 165 K CA 1.787 57.979 56.287 -0.159 0.000 0.924 165 K CB 0.672 33.083 32.500 -0.149 0.000 1.137 165 K HN 0.424 8.624 8.250 -0.083 0.000 0.510 166 D N 0.792 121.135 120.400 -0.094 0.000 2.154 166 D HA -0.262 4.334 4.640 -0.074 0.000 0.190 166 D C 0.057 176.313 176.300 -0.074 0.000 1.003 166 D CA 5.413 59.369 54.000 -0.074 0.000 0.849 166 D CB -1.804 38.965 40.800 -0.052 0.000 0.942 166 D HN 0.553 8.875 8.370 -0.080 0.000 0.446 167 P HA -0.096 4.298 4.420 -0.044 0.000 0.216 167 P C 1.416 178.665 177.300 -0.086 0.000 1.156 167 P CA 2.611 65.675 63.100 -0.060 0.000 0.855 167 P CB -0.244 31.427 31.700 -0.048 0.000 0.786 168 I N -1.865 118.619 120.570 -0.144 0.000 2.145 168 I HA -0.484 3.571 4.170 -0.192 0.000 0.244 168 I C 1.898 177.872 176.117 -0.239 0.000 1.075 168 I CA 3.435 64.591 61.300 -0.241 0.000 1.332 168 I CB -0.056 37.707 38.000 -0.395 0.000 1.033 168 I HN -0.755 7.370 8.210 -0.142 0.000 0.410 169 L N -0.594 120.499 121.223 -0.217 0.000 1.994 169 L HA -0.409 3.785 4.340 -0.243 0.000 0.208 169 L C 1.593 178.417 176.870 -0.076 0.000 1.071 169 L CA 3.611 58.342 54.840 -0.182 0.000 0.745 169 L CB -0.491 41.469 42.059 -0.165 0.000 0.892 169 L HN 0.708 8.698 8.230 -0.204 0.118 0.431 170 R N -2.941 117.537 120.500 -0.036 0.000 2.261 170 R HA -0.379 3.996 4.340 0.058 0.000 0.236 170 R C 2.753 179.118 176.300 0.108 0.000 1.141 170 R CA 2.920 59.041 56.100 0.036 0.000 1.001 170 R CB -0.686 29.621 30.300 0.013 0.000 0.866 170 R HN -0.466 7.713 8.270 -0.058 0.056 0.468 171 S N 0.470 116.207 115.700 0.062 0.000 2.341 171 S HA -0.118 4.480 4.470 0.213 0.000 0.216 171 S C 1.599 176.277 174.600 0.131 0.000 1.034 171 S CA 3.436 61.705 58.200 0.115 0.000 0.964 171 S CB -0.146 63.079 63.200 0.041 0.000 0.882 171 S HN -0.257 7.851 8.310 -0.016 0.193 0.469 172 L N -0.192 121.072 121.223 0.068 0.000 2.353 172 L HA -0.304 4.152 4.340 0.193 0.000 0.220 172 L C 1.380 178.425 176.870 0.292 0.000 1.133 172 L CA 2.806 57.732 54.840 0.145 0.000 0.798 172 L CB -0.557 41.527 42.059 0.042 0.000 0.922 172 L HN 0.000 8.213 8.230 -0.029 0.000 0.445 173 A N -4.243 118.717 122.820 0.233 0.000 1.984 173 A HA -0.101 4.557 4.320 0.564 0.000 0.214 173 A C -0.277 177.585 177.584 0.463 0.000 1.173 173 A CA 1.716 53.975 52.037 0.371 0.000 0.673 173 A CB 0.195 19.310 19.000 0.193 0.000 0.830 173 A HN 0.042 8.204 8.150 0.148 0.077 0.453 174 Y N -2.040 118.367 120.300 0.178 0.000 2.763 174 Y HA -0.121 4.484 4.550 0.093 0.000 0.230 174 Y C 1.103 177.040 175.900 0.061 0.000 1.030 174 Y CA 1.220 59.377 58.100 0.094 0.000 1.462 174 Y CB 1.189 39.674 38.460 0.041 0.000 1.299 174 Y HN -0.585 7.779 8.280 0.345 0.124 0.491 175 S N -0.639 114.900 115.700 -0.267 0.000 2.421 175 S HA -0.340 3.683 4.470 -0.744 0.000 0.239 175 S C 0.827 175.310 174.600 -0.195 0.000 1.054 175 S CA 2.670 60.660 58.200 -0.350 0.000 1.035 175 S CB 0.029 63.206 63.200 -0.037 0.000 0.840 175 S HN 0.313 8.768 8.310 0.241 0.000 0.475 176 N N 0.683 119.363 118.700 -0.032 0.000 2.908 176 N HA 0.107 4.829 4.740 -0.030 0.000 0.316 176 N C -2.421 173.080 175.510 -0.015 0.000 1.619 176 N CA -0.743 52.323 53.050 0.027 0.000 1.045 176 N CB 0.022 38.620 38.487 0.185 0.000 1.357 176 N HN -0.469 7.922 8.380 0.060 0.025 0.501 177 A N -0.471 122.277 122.820 -0.120 0.000 2.414 177 A HA 0.331 4.529 4.320 -0.204 0.000 0.306 177 A C -1.618 175.851 177.584 -0.192 0.000 1.054 177 A CA -1.662 50.285 52.037 -0.149 0.000 0.724 177 A CB 3.145 22.109 19.000 -0.059 0.000 1.267 177 A HN -0.163 7.820 8.150 -0.193 0.051 0.418 178 N N 2.337 120.914 118.700 -0.205 0.000 2.178 178 N HA -0.259 4.399 4.740 -0.138 0.000 0.222 178 N C 0.765 176.172 175.510 -0.173 0.000 1.350 178 N CA 0.504 53.454 53.050 -0.168 0.000 0.874 178 N CB 0.339 38.736 38.487 -0.149 0.000 1.086 178 N HN -0.072 8.169 8.380 -0.233 0.000 0.452 179 K N -0.174 120.149 120.400 -0.128 0.000 2.044 179 K HA -0.269 3.978 4.320 -0.121 0.000 0.204 179 K C 2.231 178.747 176.600 -0.139 0.000 1.049 179 K CA 3.963 60.182 56.287 -0.113 0.000 0.945 179 K CB -0.079 32.381 32.500 -0.067 0.000 0.724 179 K HN 0.307 8.500 8.250 -0.096 0.000 0.440 180 E N -0.985 119.137 120.200 -0.130 0.000 2.130 180 E HA -0.310 3.993 4.350 -0.079 0.000 0.196 180 E C 1.860 178.211 176.600 -0.415 0.000 0.998 180 E CA 3.454 59.761 56.400 -0.154 0.000 0.806 180 E CB -0.412 29.302 29.700 0.023 0.000 0.738 180 E HN 0.350 8.659 8.360 -0.086 0.000 0.459 181 C N -2.329 116.657 119.300 -0.524 0.000 2.548 181 C HA -0.342 3.517 4.460 -1.001 0.000 0.284 181 C C 1.813 176.558 174.990 -0.409 0.000 1.252 181 C CA 2.708 61.323 59.018 -0.671 0.000 1.725 181 C CB -0.244 27.134 27.740 -0.602 0.000 2.098 181 C HN -0.187 7.789 8.230 -0.409 0.008 0.471 182 Q N -0.314 119.333 119.800 -0.255 0.000 2.133 182 Q HA -0.541 3.782 4.340 -0.028 0.000 0.208 182 Q C 2.308 178.243 176.000 -0.107 0.000 0.991 182 Q CA 3.557 59.292 55.803 -0.114 0.000 0.867 182 Q CB -0.229 28.440 28.738 -0.115 0.000 0.911 182 Q HN -0.410 7.709 8.270 -0.252 0.000 0.417 183 K N -1.046 119.273 120.400 -0.136 0.000 2.147 183 K HA -0.265 4.015 4.320 -0.065 0.000 0.205 183 K C 2.324 178.853 176.600 -0.119 0.000 1.049 183 K CA 3.053 59.281 56.287 -0.099 0.000 0.936 183 K CB -0.153 32.301 32.500 -0.077 0.000 0.722 183 K HN 0.449 8.481 8.250 -0.161 0.122 0.446 184 L N -0.278 120.824 121.223 -0.201 0.000 2.027 184 L HA -0.304 3.968 4.340 -0.113 0.000 0.206 184 L C 1.819 178.585 176.870 -0.173 0.000 1.074 184 L CA 2.712 57.433 54.840 -0.199 0.000 0.745 184 L CB -0.178 41.664 42.059 -0.362 0.000 0.898 184 L HN -0.061 7.861 8.230 -0.281 0.140 0.433 185 L N -1.328 119.754 121.223 -0.235 0.000 1.948 185 L HA -0.449 3.676 4.340 -0.358 0.000 0.212 185 L C 2.716 179.433 176.870 -0.254 0.000 1.074 185 L CA 3.301 57.953 54.840 -0.313 0.000 0.753 185 L CB -0.206 41.659 42.059 -0.324 0.000 0.888 185 L HN 0.062 8.066 8.230 -0.259 0.070 0.432 186 Q N -2.919 116.786 119.800 -0.159 0.000 2.133 186 Q HA -0.470 3.792 4.340 -0.130 0.000 0.208 186 Q C 2.742 178.700 176.000 -0.070 0.000 0.991 186 Q CA 2.994 58.736 55.803 -0.102 0.000 0.867 186 Q CB -0.658 28.055 28.738 -0.042 0.000 0.911 186 Q HN 0.204 8.405 8.270 -0.115 0.000 0.417 187 A N 0.056 122.839 122.820 -0.062 0.000 1.940 187 A HA -0.197 4.110 4.320 -0.021 0.000 0.219 187 A C 1.131 178.709 177.584 -0.010 0.000 1.176 187 A CA 2.572 54.591 52.037 -0.030 0.000 0.631 187 A CB -0.694 18.291 19.000 -0.026 0.000 0.814 187 A HN 0.254 8.169 8.150 -0.079 0.188 0.446 188 R N -2.986 117.508 120.500 -0.009 0.000 2.323 188 R HA -0.045 4.329 4.340 0.057 0.000 0.198 188 R C 0.176 176.521 176.300 0.076 0.000 0.988 188 R CA -0.544 55.595 56.100 0.065 0.000 1.041 188 R CB -0.238 30.175 30.300 0.188 0.000 0.926 188 R HN -0.120 7.991 8.270 -0.053 0.127 0.476 189 G N 0.431 109.238 108.800 0.012 0.000 2.273 189 G HA2 -0.388 3.625 3.960 -0.016 0.000 0.280 189 G HA3 -0.388 3.586 3.960 0.023 0.000 0.280 189 G C -1.363 173.575 174.900 0.062 0.000 1.047 189 G CA 0.798 45.906 45.100 0.014 0.000 0.869 189 G HN 0.143 8.179 8.290 -0.027 0.237 0.502 190 H N -1.494 117.544 119.070 -0.054 0.000 3.275 190 H HA 0.259 4.777 4.556 -0.064 0.000 0.326 190 H C -1.895 173.373 175.328 -0.101 0.000 1.096 190 H CA -1.615 54.395 56.048 -0.065 0.000 1.579 190 H CB 1.517 31.251 29.762 -0.047 0.000 1.834 190 H HN -0.737 7.462 8.280 -0.135 0.000 0.510 191 T N 1.413 115.838 114.554 -0.216 0.000 3.174 191 T HA 0.074 4.128 4.350 -0.494 0.000 0.252 191 T C 0.533 175.084 174.700 -0.248 0.000 0.984 191 T CA 0.067 61.949 62.100 -0.364 0.000 1.113 191 T CB 0.894 69.516 68.868 -0.409 0.000 1.088 191 T HN -0.309 7.867 8.240 -0.107 0.000 0.442 192 N N 1.113 119.721 118.700 -0.153 0.000 2.364 192 N HA -0.217 4.440 4.740 -0.138 0.000 0.183 192 N C 0.504 175.992 175.510 -0.037 0.000 1.022 192 N CA 1.284 54.274 53.050 -0.100 0.000 0.883 192 N CB 0.095 38.543 38.487 -0.064 0.000 0.965 192 N HN -0.123 8.179 8.380 -0.130 0.000 0.438 193 S N 0.032 115.748 115.700 0.026 0.000 2.622 193 S HA -0.054 4.432 4.470 0.026 0.000 0.251 193 S C -1.762 172.869 174.600 0.052 0.000 1.402 193 S CA 0.396 58.638 58.200 0.070 0.000 0.972 193 S CB 0.434 63.745 63.200 0.183 0.000 0.913 193 S HN -0.132 8.171 8.310 0.045 0.034 0.573 194 P HA 0.054 4.482 4.420 0.014 0.000 0.302 194 P C -0.141 177.197 177.300 0.063 0.000 1.301 194 P CA -0.841 62.273 63.100 0.024 0.000 0.745 194 P CB 0.927 32.627 31.700 -0.001 0.000 1.331 195 L N -0.230 121.020 121.223 0.046 0.000 2.130 195 L HA -0.049 4.364 4.340 0.122 0.000 0.200 195 L C 2.372 179.292 176.870 0.084 0.000 1.075 195 L CA 2.743 57.629 54.840 0.076 0.000 0.768 195 L CB 0.017 42.096 42.059 0.034 0.000 0.933 195 L HN 0.326 8.568 8.230 0.020 0.000 0.451 196 G N -2.435 106.384 108.800 0.033 0.000 2.545 196 G HA2 -0.560 3.411 3.960 0.018 0.000 0.222 196 G HA3 -0.560 3.396 3.960 -0.007 0.000 0.222 196 G C 0.670 175.574 174.900 0.007 0.000 1.126 196 G CA 2.635 47.743 45.100 0.014 0.000 0.754 196 G HN 0.178 8.477 8.290 0.015 0.000 0.583 197 D N 0.490 120.879 120.400 -0.020 0.000 2.144 197 D HA -0.159 4.374 4.640 -0.180 0.000 0.200 197 D C 1.966 178.250 176.300 -0.027 0.000 0.978 197 D CA 2.820 56.721 54.000 -0.165 0.000 0.833 197 D CB -0.100 40.484 40.800 -0.360 0.000 0.961 197 D HN 0.224 8.578 8.370 -0.003 0.014 0.470 198 M N -0.763 119.012 119.600 0.293 0.000 2.175 198 M HA -0.389 4.450 4.480 0.597 0.000 0.264 198 M C 2.154 178.671 176.300 0.360 0.000 1.063 198 M CA 3.479 59.035 55.300 0.427 0.000 1.119 198 M CB 0.185 33.021 32.600 0.393 0.000 1.377 198 M HN -0.169 8.160 8.290 0.251 0.112 0.415 199 L N -3.999 117.396 121.223 0.288 0.000 2.291 199 L HA -0.195 4.430 4.340 0.475 0.000 0.214 199 L C 2.061 179.013 176.870 0.136 0.000 1.120 199 L CA 1.888 56.882 54.840 0.256 0.000 0.799 199 L CB -1.259 40.864 42.059 0.106 0.000 0.925 199 L HN 0.215 8.467 8.230 0.203 0.100 0.446 200 R N -2.737 117.815 120.500 0.086 0.000 2.246 200 R HA -0.148 4.329 4.340 0.025 -0.121 0.199 200 R C 0.622 176.959 176.300 0.062 0.000 0.984 200 R CA 2.030 58.151 56.100 0.034 0.000 1.015 200 R CB -0.051 30.233 30.300 -0.027 0.000 0.930 200 R HN -0.842 7.308 8.270 0.080 0.168 0.475 201 A N -1.860 121.032 122.820 0.120 0.000 1.997 201 A HA 0.091 4.472 4.320 0.102 0.000 0.212 201 A C 1.278 178.922 177.584 0.100 0.000 1.178 201 A CA 2.040 54.157 52.037 0.133 0.000 0.698 201 A CB 0.365 19.536 19.000 0.285 0.000 0.842 201 A HN -0.768 7.316 8.150 0.168 0.166 0.458 202 C N -3.040 116.320 119.300 0.101 0.000 2.563 202 C HA -0.013 4.504 4.460 0.094 0.000 0.268 202 C C 1.386 176.534 174.990 0.262 0.000 1.365 202 C CA 2.013 61.107 59.018 0.126 0.000 1.754 202 C CB -0.011 27.710 27.740 -0.031 0.000 1.932 202 C HN -0.201 8.117 8.230 0.146 0.000 0.536 203 Q N -0.780 119.133 119.800 0.187 0.000 2.224 203 Q HA -0.269 4.147 4.340 0.127 0.000 0.213 203 Q C 0.016 176.105 176.000 0.149 0.000 0.998 203 Q CA 2.410 58.293 55.803 0.133 0.000 0.895 203 Q CB -0.948 27.826 28.738 0.060 0.000 0.926 203 Q HN -0.399 7.756 8.270 0.156 0.209 0.417 204 T N -3.440 111.209 114.554 0.158 0.000 3.071 204 T HA -0.028 4.383 4.350 0.102 0.000 0.239 204 T C -0.125 174.702 174.700 0.212 0.000 0.997 204 T CA -0.849 61.333 62.100 0.137 0.000 1.134 204 T CB 1.310 70.234 68.868 0.093 0.000 0.928 204 T HN -0.691 7.635 8.240 0.158 0.009 0.453 205 W N 3.130 124.440 121.300 0.017 0.000 6.905 205 W HA -0.344 4.308 4.660 -0.014 0.000 0.419 205 W C -1.850 174.672 176.519 0.005 0.000 1.653 205 W CA 0.832 58.178 57.345 0.000 0.000 1.131 205 W CB -2.169 27.289 29.460 -0.003 0.000 2.876 205 W HN -0.443 7.897 8.180 0.266 0.000 1.563 206 T N 1.817 116.484 114.554 0.189 0.000 3.225 206 T HA 0.205 4.581 4.350 0.043 0.000 0.356 206 T C -2.427 172.312 174.700 0.065 0.000 1.460 206 T CA -2.511 59.622 62.100 0.055 0.000 1.126 206 T CB 1.770 70.614 68.868 -0.040 0.000 1.321 206 T HN -0.432 7.923 8.240 0.190 0.000 0.478 207 P HA 0.331 4.780 4.420 0.049 0.000 0.276 207 P C -1.968 175.345 177.300 0.023 0.000 1.252 207 P CA -0.307 62.818 63.100 0.041 0.000 0.802 207 P CB 0.668 32.391 31.700 0.038 0.000 1.035 208 K N -1.358 119.055 120.400 0.021 0.000 2.600 208 K HA 0.178 4.503 4.320 0.010 0.000 0.262 208 K C -2.438 174.171 176.600 0.013 0.000 0.935 208 K CA -0.362 55.933 56.287 0.014 0.000 0.866 208 K CB 0.566 33.074 32.500 0.013 0.000 1.354 208 K HN -0.207 8.057 8.250 0.025 0.000 0.419 209 D N 0.889 121.294 120.400 0.010 0.000 2.785 209 D HA 0.245 4.890 4.640 0.009 0.000 0.239 209 D C -2.003 174.301 176.300 0.006 0.000 1.142 209 D CA -0.302 53.703 54.000 0.009 0.000 0.734 209 D CB 1.634 42.440 40.800 0.010 0.000 1.820 209 D HN 0.392 8.767 8.370 0.007 0.000 0.461 210 K N 1.554 121.957 120.400 0.005 0.000 2.395 210 K HA 0.648 4.970 4.320 0.004 0.000 0.245 210 K C -1.912 174.690 176.600 0.004 0.000 1.017 210 K CA -0.980 55.309 56.287 0.004 0.000 0.852 210 K CB 2.497 34.999 32.500 0.003 0.000 1.311 210 K HN 0.290 8.543 8.250 0.006 0.000 0.452 211 T N 0.487 115.043 114.554 0.003 0.000 3.105 211 T HA 0.138 4.490 4.350 0.003 0.000 0.321 211 T C -1.411 173.291 174.700 0.002 0.000 1.135 211 T CA -0.261 61.841 62.100 0.003 0.000 1.053 211 T CB 0.762 69.632 68.868 0.003 0.000 1.133 211 T HN -0.026 8.216 8.240 0.003 0.000 0.463 212 K N 4.263 124.664 120.400 0.002 0.000 5.910 212 K HA -0.099 4.222 4.320 0.002 0.000 0.496 212 K C -0.678 175.923 176.600 0.001 0.000 1.222 212 K CA 0.531 56.819 56.287 0.002 0.000 1.422 212 K CB -0.002 32.499 32.500 0.002 0.000 1.780 212 K HN 0.150 8.402 8.250 0.002 0.000 0.384 213 V N -2.251 117.664 119.914 0.001 0.000 2.500 213 V HA 0.031 4.152 4.120 0.001 0.000 0.243 213 V C -0.292 175.803 176.094 0.001 0.000 1.039 213 V CA 0.902 63.203 62.300 0.001 0.000 1.053 213 V CB 0.292 32.116 31.823 0.001 0.000 0.695 213 V HN -0.271 7.920 8.190 0.001 0.000 0.463 214 L N 0.000 121.224 121.223 0.001 0.000 2.949 214 L HA 0.000 4.340 4.340 0.001 0.000 0.249 214 L CA 0.000 54.840 54.840 0.001 0.000 0.813 214 L CB 0.000 42.059 42.059 0.001 0.000 0.961 214 L HN 0.000 8.231 8.230 0.001 0.000 0.502