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 2e30_1_A DATA FIRST_RESID 1 DATA SEQUENCE MGSRASTLLR DEELEEIKKE TGFSHSQITR LYSRFTSLDK GENGTLSRED DATA SEQUENCE FQRIPELAIN PLGDRIINAF FPEGEDQVNF RGFMRTLAHF RPIEDNEKSK DATA SEQUENCE DVNGPEPLNS RSNKLHFAFR LYDLDKDEKI SRDELLQVLR MMVGVNISDE DATA SEQUENCE QLGSIADRTI QEADQDGDSA ISFTEFVKVL EKVDVEQKMS IRFLH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.476 4.480 -0.006 0.000 0.227 1 M C 0.000 176.296 176.300 -0.007 0.000 1.140 1 M CA 0.000 55.296 55.300 -0.006 0.000 0.988 1 M CB 0.000 32.597 32.600 -0.005 0.000 1.302 2 G N 1.080 109.876 108.800 -0.006 0.000 2.647 2 G HA2 0.381 4.337 3.960 -0.007 0.000 0.234 2 G HA3 0.381 4.338 3.960 -0.006 0.000 0.234 2 G C -1.713 173.183 174.900 -0.007 0.000 1.252 2 G CA 0.533 45.629 45.100 -0.006 0.000 0.846 2 G HN 0.777 9.064 8.290 -0.005 0.000 0.589 3 S N -0.393 115.303 115.700 -0.007 0.000 2.703 3 S HA 0.037 4.503 4.470 -0.007 0.000 0.273 3 S C 0.484 175.079 174.600 -0.008 0.000 1.178 3 S CA -0.523 57.672 58.200 -0.007 0.000 0.838 3 S CB 0.788 63.983 63.200 -0.008 0.000 1.178 3 S HN -0.364 7.942 8.310 -0.007 0.000 0.494 4 R N -0.061 120.434 120.500 -0.008 0.000 2.189 4 R HA -0.058 4.277 4.340 -0.008 0.000 0.218 4 R C 0.920 177.214 176.300 -0.010 0.000 1.074 4 R CA 0.677 56.772 56.100 -0.008 0.000 0.991 4 R CB -0.060 30.235 30.300 -0.008 0.000 0.883 4 R HN 0.384 8.649 8.270 -0.008 0.000 0.457 5 A N -1.235 121.579 122.820 -0.011 0.000 5.023 5 A HA -0.393 3.918 4.320 -0.014 0.000 0.346 5 A C -0.221 177.355 177.584 -0.014 0.000 1.724 5 A CA 1.352 53.381 52.037 -0.013 0.000 0.700 5 A CB -1.505 17.487 19.000 -0.013 0.000 1.464 5 A HN -0.490 7.624 8.150 -0.010 0.030 0.404 6 S N -0.124 115.568 115.700 -0.014 0.000 3.312 6 S HA -0.175 4.286 4.470 -0.014 0.000 0.423 6 S C -0.526 174.064 174.600 -0.016 0.000 0.840 6 S CA -0.063 58.129 58.200 -0.014 0.000 1.357 6 S CB -0.653 62.539 63.200 -0.013 0.000 0.969 6 S HN 0.142 8.445 8.310 -0.013 0.000 0.641 7 T N -1.474 113.069 114.554 -0.018 0.000 2.732 7 T HA -0.037 4.301 4.350 -0.020 0.000 0.287 7 T C -1.217 173.471 174.700 -0.020 0.000 0.993 7 T CA -0.131 61.956 62.100 -0.021 0.000 0.966 7 T CB 1.059 69.912 68.868 -0.026 0.000 1.047 7 T HN -0.243 7.986 8.240 -0.018 0.000 0.527 8 L N -1.413 119.798 121.223 -0.020 0.000 2.731 8 L HA 0.236 4.561 4.340 -0.025 0.000 0.256 8 L C -1.459 175.399 176.870 -0.019 0.000 0.947 8 L CA 0.264 55.090 54.840 -0.023 0.000 0.914 8 L CB 3.002 45.046 42.059 -0.024 0.000 1.470 8 L HN -0.122 8.097 8.230 -0.019 0.000 0.421 9 L N 4.314 125.523 121.223 -0.023 0.000 2.375 9 L HA 0.171 4.510 4.340 -0.002 0.000 0.276 9 L C -0.863 175.997 176.870 -0.017 0.000 1.162 9 L CA 0.047 54.879 54.840 -0.014 0.000 0.991 9 L CB -0.400 41.648 42.059 -0.018 0.000 1.315 9 L HN 0.277 8.488 8.230 -0.032 0.000 0.431 10 R N 4.239 124.735 120.500 -0.007 0.000 2.531 10 R HA 0.133 4.463 4.340 -0.017 0.000 0.260 10 R C 0.313 176.616 176.300 0.005 0.000 1.144 10 R CA -1.255 54.840 56.100 -0.007 0.000 1.171 10 R CB 0.704 31.001 30.300 -0.004 0.000 1.199 10 R HN -0.597 7.671 8.270 -0.003 0.000 0.594 11 D N 0.100 120.503 120.400 0.006 0.000 2.315 11 D HA -0.298 4.354 4.640 0.020 0.000 0.211 11 D C 1.805 178.120 176.300 0.025 0.000 0.977 11 D CA 3.688 57.698 54.000 0.016 0.000 0.894 11 D CB -0.377 40.430 40.800 0.012 0.000 0.910 11 D HN 0.466 8.836 8.370 0.000 0.000 0.490 12 E N -0.790 119.425 120.200 0.025 0.000 2.051 12 E HA -0.226 4.146 4.350 0.037 0.000 0.189 12 E C 2.152 178.783 176.600 0.051 0.000 0.979 12 E CA 2.621 59.042 56.400 0.035 0.000 0.803 12 E CB -0.549 29.169 29.700 0.030 0.000 0.761 12 E HN 0.409 8.719 8.360 0.017 0.060 0.451 13 E N 0.432 120.660 120.200 0.046 0.000 2.152 13 E HA -0.207 4.373 4.350 0.079 -0.183 0.192 13 E C 2.355 178.999 176.600 0.074 0.000 0.983 13 E CA 1.745 58.182 56.400 0.062 0.000 0.818 13 E CB -0.599 29.125 29.700 0.041 0.000 0.758 13 E HN -0.666 7.713 8.360 0.031 0.000 0.467 14 L N 0.293 121.551 121.223 0.059 0.000 2.007 14 L HA -0.229 4.157 4.340 0.076 0.000 0.205 14 L C 1.531 178.450 176.870 0.081 0.000 1.073 14 L CA 3.519 58.400 54.840 0.069 0.000 0.744 14 L CB -0.373 41.718 42.059 0.055 0.000 0.898 14 L HN 0.425 8.667 8.230 0.043 0.014 0.435 15 E N -1.900 118.340 120.200 0.067 0.000 2.130 15 E HA -0.456 3.933 4.350 0.064 0.000 0.196 15 E C 2.585 179.238 176.600 0.088 0.000 0.998 15 E CA 3.411 59.849 56.400 0.064 0.000 0.806 15 E CB -0.607 29.115 29.700 0.038 0.000 0.738 15 E HN -0.265 8.014 8.360 0.054 0.114 0.459 16 E N -0.658 119.604 120.200 0.103 0.000 2.001 16 E HA -0.317 4.118 4.350 0.141 0.000 0.195 16 E C 2.481 179.184 176.600 0.171 0.000 1.002 16 E CA 2.691 59.177 56.400 0.144 0.000 0.819 16 E CB -0.108 29.689 29.700 0.160 0.000 0.769 16 E HN -0.607 7.798 8.360 0.092 0.011 0.454 17 I N 0.489 121.160 120.570 0.168 0.000 2.335 17 I HA -0.300 4.172 4.170 0.208 -0.177 0.251 17 I C 1.322 177.529 176.117 0.151 0.000 1.129 17 I CA 1.542 62.947 61.300 0.175 0.000 1.402 17 I CB -0.030 38.062 38.000 0.153 0.000 1.069 17 I HN -0.655 7.647 8.210 0.153 0.000 0.424 18 K N 0.448 120.927 120.400 0.132 0.000 2.026 18 K HA -0.417 3.966 4.320 0.105 0.000 0.208 18 K C 2.214 178.915 176.600 0.168 0.000 1.048 18 K CA 3.945 60.309 56.287 0.127 0.000 0.929 18 K CB -0.182 32.388 32.500 0.116 0.000 0.713 18 K HN 0.409 8.608 8.250 0.124 0.124 0.439 19 K N -1.926 118.589 120.400 0.191 0.000 2.211 19 K HA -0.232 4.400 4.320 0.442 -0.046 0.203 19 K C 2.913 179.660 176.600 0.245 0.000 1.050 19 K CA 2.595 59.047 56.287 0.275 0.000 0.945 19 K CB -0.529 32.078 32.500 0.177 0.000 0.732 19 K HN -0.231 8.113 8.250 0.157 0.000 0.451 20 E N -0.073 120.248 120.200 0.201 0.000 2.058 20 E HA -0.353 4.117 4.350 0.199 0.000 0.194 20 E C 0.985 177.655 176.600 0.117 0.000 0.997 20 E CA 3.571 60.080 56.400 0.180 0.000 0.801 20 E CB 0.037 29.852 29.700 0.191 0.000 0.746 20 E HN -0.331 8.012 8.360 0.193 0.133 0.450 21 T N -4.105 110.509 114.554 0.100 0.000 3.037 21 T HA 0.034 4.378 4.350 -0.010 0.000 0.251 21 T C 1.799 176.473 174.700 -0.043 0.000 1.079 21 T CA 1.993 64.109 62.100 0.028 0.000 1.067 21 T CB 0.302 69.220 68.868 0.084 0.000 0.948 21 T HN -0.558 7.759 8.240 0.128 0.000 0.496 22 G N 0.671 109.469 108.800 -0.003 0.000 2.441 22 G HA2 -0.018 3.765 3.960 -0.296 0.000 0.212 22 G HA3 -0.018 4.025 3.960 0.045 -0.056 0.212 22 G C -0.506 174.040 174.900 -0.590 0.000 1.164 22 G CA 0.776 45.767 45.100 -0.183 0.000 0.811 22 G HN 0.492 8.600 8.290 0.096 0.240 0.535 23 F N -2.737 117.257 119.950 0.074 0.000 3.868 23 F HA 0.191 4.789 4.527 0.119 0.000 0.280 23 F C -1.877 174.030 175.800 0.179 0.000 1.456 23 F CA -0.034 58.051 58.000 0.141 0.000 0.944 23 F CB 1.739 40.852 39.000 0.188 0.000 1.837 23 F HN -0.227 8.051 8.300 0.281 0.190 0.424 24 S N -3.196 112.839 115.700 0.559 0.000 2.565 24 S HA 0.124 4.771 4.470 0.295 0.000 0.207 24 S C -1.454 173.343 174.600 0.328 0.000 0.769 24 S CA -0.372 58.032 58.200 0.341 0.000 0.945 24 S CB 0.812 64.137 63.200 0.210 0.000 1.653 24 S HN -0.011 8.845 8.310 0.909 0.000 0.509 25 H N 1.479 120.641 119.070 0.153 0.000 2.136 25 H HA 0.096 4.702 4.556 0.083 0.000 0.311 25 H C 0.700 176.089 175.328 0.102 0.000 1.737 25 H CA -0.008 56.098 56.048 0.096 0.000 1.439 25 H CB 0.606 30.398 29.762 0.051 0.000 1.733 25 H HN -0.297 8.398 8.280 0.692 0.000 0.637 26 S N -1.100 114.734 115.700 0.223 0.000 2.528 26 S HA -0.038 4.519 4.470 0.146 0.000 0.219 26 S C 1.565 176.264 174.600 0.165 0.000 0.985 26 S CA 1.885 60.178 58.200 0.155 0.000 0.914 26 S CB 0.036 63.299 63.200 0.105 0.000 0.776 26 S HN 0.086 8.544 8.310 0.247 0.000 0.526 27 Q N -0.254 119.650 119.800 0.173 0.000 2.197 27 Q HA -0.287 4.124 4.340 0.119 0.000 0.207 27 Q C 1.361 177.468 176.000 0.177 0.000 0.984 27 Q CA 3.001 58.889 55.803 0.142 0.000 0.869 27 Q CB -0.359 28.443 28.738 0.107 0.000 0.906 27 Q HN 0.450 8.802 8.270 0.206 0.042 0.426 28 I N -7.200 113.501 120.570 0.217 0.000 2.731 28 I HA 0.042 4.381 4.170 0.282 0.000 0.260 28 I C 1.356 177.650 176.117 0.296 0.000 1.138 28 I CA 1.280 62.745 61.300 0.275 0.000 1.461 28 I CB -1.040 37.136 38.000 0.294 0.000 1.128 28 I HN -0.779 7.537 8.210 0.222 0.027 0.438 29 T N 0.954 115.659 114.554 0.251 0.000 2.653 29 T HA -0.467 4.056 4.350 0.288 0.000 0.268 29 T C 2.042 176.889 174.700 0.245 0.000 1.035 29 T CA 4.415 66.660 62.100 0.241 0.000 1.154 29 T CB -0.221 68.739 68.868 0.152 0.000 0.862 29 T HN -0.690 7.605 8.240 0.225 0.080 0.441 30 R N 0.740 121.353 120.500 0.188 0.000 2.075 30 R HA -0.235 4.182 4.340 0.127 0.000 0.232 30 R C 2.056 178.461 176.300 0.174 0.000 1.126 30 R CA 3.025 59.215 56.100 0.149 0.000 0.963 30 R CB -0.266 30.102 30.300 0.113 0.000 0.858 30 R HN -0.392 7.982 8.270 0.173 -0.001 0.435 31 L N -0.136 121.223 121.223 0.227 0.000 2.127 31 L HA -0.281 4.190 4.340 0.218 0.000 0.211 31 L C 1.114 178.197 176.870 0.355 0.000 1.089 31 L CA 2.645 57.655 54.840 0.284 0.000 0.757 31 L CB -0.806 41.458 42.059 0.342 0.000 0.899 31 L HN -0.542 7.749 8.230 0.230 0.077 0.434 32 Y N -0.751 119.638 120.300 0.150 0.000 2.337 32 Y HA -0.341 4.043 4.550 -0.275 0.000 0.293 32 Y C 1.379 177.229 175.900 -0.084 0.000 1.123 32 Y CA 3.748 61.739 58.100 -0.183 0.000 1.201 32 Y CB -0.269 37.961 38.460 -0.384 0.000 1.011 32 Y HN 0.483 8.855 8.280 0.377 0.134 0.545 33 S N 0.468 116.117 115.700 -0.085 0.000 2.356 33 S HA -0.292 3.984 4.470 -0.322 0.000 0.223 33 S C 2.238 176.748 174.600 -0.150 0.000 1.032 33 S CA 3.505 61.605 58.200 -0.165 0.000 1.005 33 S CB -0.774 62.426 63.200 0.001 0.000 0.867 33 S HN -0.537 7.716 8.310 0.133 0.136 0.449 34 R N 0.420 120.901 120.500 -0.032 0.000 2.062 34 R HA -0.203 4.116 4.340 -0.034 0.000 0.229 34 R C 2.215 178.529 176.300 0.023 0.000 1.128 34 R CA 2.430 58.524 56.100 -0.009 0.000 0.960 34 R CB -0.309 30.004 30.300 0.022 0.000 0.855 34 R HN -0.688 7.598 8.270 0.026 0.000 0.432 35 F N 0.564 120.460 119.950 -0.089 0.000 2.046 35 F HA -0.272 4.227 4.527 -0.046 0.000 0.297 35 F C 2.268 177.933 175.800 -0.225 0.000 1.123 35 F CA 1.753 59.719 58.000 -0.057 0.000 1.199 35 F CB -0.569 38.569 39.000 0.230 0.000 0.972 35 F HN -0.200 8.236 8.300 0.227 0.000 0.474 36 T N -0.335 114.086 114.554 -0.222 0.000 2.929 36 T HA -0.359 3.789 4.350 -0.336 0.000 0.271 36 T C 2.033 176.575 174.700 -0.264 0.000 1.085 36 T CA 3.070 64.898 62.100 -0.454 0.000 1.125 36 T CB -0.795 67.391 68.868 -1.137 0.000 0.874 36 T HN 0.306 8.181 8.240 -0.420 0.113 0.494 37 S N 1.820 117.404 115.700 -0.194 0.000 2.453 37 S HA -0.165 4.228 4.470 -0.128 0.000 0.231 37 S C 1.700 176.248 174.600 -0.088 0.000 1.005 37 S CA 2.808 60.935 58.200 -0.123 0.000 0.949 37 S CB -0.467 62.678 63.200 -0.091 0.000 0.774 37 S HN -0.466 7.567 8.310 -0.185 0.167 0.510 38 L N -0.600 120.579 121.223 -0.072 0.000 2.551 38 L HA -0.200 4.101 4.340 -0.065 0.000 0.230 38 L C 1.221 178.038 176.870 -0.089 0.000 1.163 38 L CA 1.396 56.192 54.840 -0.073 0.000 0.826 38 L CB -0.702 41.315 42.059 -0.070 0.000 0.943 38 L HN -0.477 7.573 8.230 -0.049 0.150 0.452 39 D N -0.908 119.431 120.400 -0.102 0.000 2.813 39 D HA -0.122 4.616 4.640 -0.102 -0.159 0.248 39 D C 0.083 176.349 176.300 -0.057 0.000 1.254 39 D CA 0.240 54.186 54.000 -0.091 0.000 0.921 39 D CB -1.877 38.869 40.800 -0.090 0.000 1.118 39 D HN -0.428 7.664 8.370 -0.112 0.211 0.450 40 K N -3.578 116.792 120.400 -0.050 0.000 3.445 40 K HA -0.346 3.956 4.320 -0.031 0.000 0.316 40 K C 0.157 176.739 176.600 -0.031 0.000 1.278 40 K CA 1.197 57.464 56.287 -0.033 0.000 0.976 40 K CB -2.490 29.997 32.500 -0.022 0.000 1.238 40 K HN 0.811 8.883 8.250 -0.058 0.142 0.430 41 G N -4.891 103.886 108.800 -0.039 0.000 2.155 41 G HA2 -0.263 3.674 3.960 -0.039 0.000 0.130 41 G HA3 -0.263 3.682 3.960 -0.026 0.000 0.130 41 G C -0.358 174.522 174.900 -0.033 0.000 1.027 41 G CA -0.173 44.906 45.100 -0.034 0.000 0.705 41 G HN -0.389 7.734 8.290 -0.050 0.137 0.496 42 E N 1.241 121.419 120.200 -0.038 0.000 2.024 42 E HA -0.060 4.279 4.350 -0.018 0.000 0.190 42 E C 0.519 177.098 176.600 -0.035 0.000 0.974 42 E CA 0.351 56.734 56.400 -0.028 0.000 0.810 42 E CB 0.777 30.463 29.700 -0.024 0.000 0.775 42 E HN -0.427 7.778 8.360 -0.046 0.127 0.453 43 N N -3.474 115.189 118.700 -0.061 0.000 2.929 43 N HA -0.250 4.530 4.740 -0.149 -0.129 0.246 43 N C -1.241 174.255 175.510 -0.023 0.000 1.111 43 N CA 0.330 53.332 53.050 -0.080 0.000 0.679 43 N CB -1.001 37.451 38.487 -0.057 0.000 1.008 43 N HN 0.168 8.504 8.380 -0.075 0.000 0.559 44 G N -2.717 106.081 108.800 -0.004 0.000 2.625 44 G HA2 0.260 4.295 3.960 0.125 0.000 0.215 44 G HA3 0.260 4.373 3.960 0.056 -0.119 0.215 44 G C -1.568 173.397 174.900 0.108 0.000 1.465 44 G CA 1.070 46.215 45.100 0.075 0.000 0.567 44 G HN 0.185 8.451 8.290 -0.039 0.000 1.088 45 T N -0.675 113.904 114.554 0.042 0.000 2.804 45 T HA 0.775 5.340 4.350 0.101 -0.153 0.290 45 T C -1.246 173.412 174.700 -0.070 0.000 1.099 45 T CA -2.416 59.707 62.100 0.040 0.000 1.011 45 T CB 3.373 72.277 68.868 0.059 0.000 1.291 45 T HN -0.674 7.717 8.240 0.008 -0.146 0.523 46 L N 0.258 121.398 121.223 -0.138 0.000 2.408 46 L HA 0.465 4.783 4.340 -0.279 -0.146 0.268 46 L C -0.879 175.833 176.870 -0.264 0.000 0.986 46 L CA -1.127 53.510 54.840 -0.337 0.000 0.820 46 L CB 4.154 45.754 42.059 -0.765 0.000 1.303 46 L HN 0.007 8.272 8.230 -0.087 -0.087 0.411 47 S N 3.327 118.936 115.700 -0.152 0.000 2.766 47 S HA 0.498 5.086 4.470 0.197 0.000 0.307 47 S C 0.211 174.977 174.600 0.276 0.000 1.121 47 S CA -1.915 56.357 58.200 0.119 0.000 0.980 47 S CB 2.396 65.682 63.200 0.144 0.000 1.159 47 S HN 0.983 9.813 8.310 -0.192 -0.635 0.546 48 R N 0.446 121.225 120.500 0.464 0.000 2.083 48 R HA -0.374 4.333 4.340 0.613 0.000 0.237 48 R C 2.242 178.699 176.300 0.263 0.000 1.137 48 R CA 4.571 60.936 56.100 0.441 0.000 0.951 48 R CB -0.243 30.246 30.300 0.314 0.000 0.851 48 R HN 0.577 9.151 8.270 0.508 0.000 0.434 49 E N -4.083 116.213 120.200 0.160 0.000 2.396 49 E HA -0.263 4.141 4.350 0.089 0.000 0.200 49 E C 1.073 177.697 176.600 0.041 0.000 1.023 49 E CA 2.299 58.751 56.400 0.087 0.000 0.857 49 E CB -0.677 29.058 29.700 0.059 0.000 0.775 49 E HN 0.225 8.685 8.360 0.165 0.000 0.525 50 D N -0.644 119.753 120.400 -0.006 0.000 2.259 50 D HA -0.020 4.568 4.640 -0.086 0.000 0.216 50 D C 2.263 178.477 176.300 -0.143 0.000 0.961 50 D CA 1.874 55.794 54.000 -0.134 0.000 0.878 50 D CB -0.130 40.497 40.800 -0.288 0.000 1.009 50 D HN -0.355 7.833 8.370 0.030 0.200 0.490 51 F N 1.271 121.229 119.950 0.013 0.000 2.161 51 F HA -0.325 4.250 4.527 0.080 0.000 0.300 51 F C 2.143 177.947 175.800 0.007 0.000 1.089 51 F CA 4.125 62.138 58.000 0.020 0.000 1.282 51 F CB -0.336 38.655 39.000 -0.016 0.000 1.010 51 F HN -0.493 7.789 8.300 -0.030 0.000 0.485 52 Q N -3.106 116.806 119.800 0.188 0.000 2.368 52 Q HA -0.294 4.113 4.340 0.113 0.000 0.210 52 Q C 1.371 177.398 176.000 0.044 0.000 0.982 52 Q CA 2.137 58.003 55.803 0.105 0.000 0.884 52 Q CB -0.549 28.240 28.738 0.085 0.000 0.933 52 Q HN -0.575 7.807 8.270 0.206 0.012 0.460 53 R N -3.517 116.990 120.500 0.012 0.000 2.341 53 R HA -0.161 4.167 4.340 -0.020 0.000 0.213 53 R C 0.178 176.446 176.300 -0.054 0.000 1.082 53 R CA 0.612 56.693 56.100 -0.031 0.000 1.017 53 R CB -0.034 30.229 30.300 -0.061 0.000 0.860 53 R HN -0.372 7.719 8.270 0.017 0.189 0.473 54 I N 1.039 121.582 120.570 -0.044 0.000 2.437 54 I HA 0.303 4.414 4.170 -0.098 0.000 0.298 54 I C -1.561 174.545 176.117 -0.018 0.000 0.984 54 I CA -3.627 57.631 61.300 -0.070 0.000 1.214 54 I CB 1.412 39.343 38.000 -0.115 0.000 1.365 54 I HN -0.216 7.803 8.210 0.001 0.191 0.469 55 P HA -0.042 4.378 4.420 -0.000 0.000 0.244 55 P C -0.970 176.336 177.300 0.010 0.000 1.211 55 P CA 1.045 64.142 63.100 -0.005 0.000 0.760 55 P CB 0.010 31.702 31.700 -0.013 0.000 0.961 56 E N -1.289 118.924 120.200 0.021 0.000 2.065 56 E HA -0.125 4.244 4.350 0.032 0.000 0.191 56 E C 2.141 178.774 176.600 0.055 0.000 0.960 56 E CA 1.664 58.089 56.400 0.041 0.000 0.824 56 E CB -0.868 28.867 29.700 0.058 0.000 0.793 56 E HN -0.052 8.201 8.360 0.015 0.117 0.459 57 L N 0.911 122.178 121.223 0.074 0.000 2.017 57 L HA -0.200 4.184 4.340 0.074 0.000 0.208 57 L C 1.869 178.774 176.870 0.058 0.000 1.073 57 L CA 2.938 57.825 54.840 0.079 0.000 0.745 57 L CB -0.119 42.009 42.059 0.116 0.000 0.894 57 L HN -0.385 7.895 8.230 0.084 0.000 0.432 58 A N -3.339 119.512 122.820 0.051 0.000 2.225 58 A HA -0.166 4.178 4.320 0.039 0.000 0.215 58 A C 0.383 177.983 177.584 0.027 0.000 1.164 58 A CA 2.194 54.253 52.037 0.037 0.000 0.710 58 A CB -0.259 18.758 19.000 0.028 0.000 0.780 58 A HN -0.363 7.819 8.150 0.054 0.000 0.473 59 I N -4.662 115.925 120.570 0.028 0.000 4.225 59 I HA 0.039 4.220 4.170 0.018 0.000 0.327 59 I C -0.626 175.506 176.117 0.026 0.000 1.422 59 I CA -0.684 60.629 61.300 0.022 0.000 1.150 59 I CB 0.986 38.995 38.000 0.016 0.000 1.192 59 I HN -0.459 7.561 8.210 0.034 0.211 0.440 60 N N 2.252 120.972 118.700 0.033 0.000 2.499 60 N HA 0.183 4.944 4.740 0.036 0.000 0.281 60 N C -0.568 174.959 175.510 0.029 0.000 1.098 60 N CA -1.548 51.524 53.050 0.036 0.000 0.979 60 N CB 1.734 40.250 38.487 0.048 0.000 1.121 60 N HN -0.626 7.647 8.380 0.037 0.128 0.466 61 P HA 0.040 4.469 4.420 0.015 0.000 0.220 61 P C -0.804 176.504 177.300 0.014 0.000 1.152 61 P CA 1.752 64.863 63.100 0.018 0.000 0.812 61 P CB 0.433 32.144 31.700 0.019 0.000 0.792 62 L N -7.613 113.623 121.223 0.021 0.000 2.541 62 L HA 0.409 4.745 4.340 -0.007 0.000 0.187 62 L C 1.088 177.969 176.870 0.018 0.000 1.098 62 L CA -0.194 54.653 54.840 0.010 0.000 0.846 62 L CB 1.135 43.204 42.059 0.016 0.000 1.151 62 L HN -0.985 7.378 8.230 0.033 -0.113 0.492 63 G N -2.293 106.530 108.800 0.039 0.000 2.249 63 G HA2 -0.501 3.549 3.960 0.056 0.000 0.269 63 G HA3 -0.501 3.483 3.960 0.040 0.000 0.269 63 G C 0.821 175.737 174.900 0.026 0.000 0.979 63 G CA 1.867 46.992 45.100 0.042 0.000 0.644 63 G HN 0.266 8.825 8.290 0.050 -0.239 0.546 64 D N 0.210 120.618 120.400 0.012 0.000 2.354 64 D HA -0.373 4.254 4.640 -0.023 0.000 0.216 64 D C 1.233 177.532 176.300 -0.001 0.000 0.970 64 D CA 2.649 56.641 54.000 -0.012 0.000 0.905 64 D CB -0.719 40.057 40.800 -0.041 0.000 0.903 64 D HN 0.097 8.302 8.370 0.011 0.172 0.508 65 R N -1.993 118.529 120.500 0.037 0.000 2.052 65 R HA -0.256 4.082 4.340 -0.003 0.000 0.226 65 R C 0.980 177.274 176.300 -0.010 0.000 1.145 65 R CA 3.579 59.694 56.100 0.025 0.000 0.952 65 R CB -0.302 30.050 30.300 0.088 0.000 0.847 65 R HN -0.219 8.000 8.270 0.053 0.083 0.431 66 I N -0.640 119.952 120.570 0.037 0.000 2.179 66 I HA -0.349 3.889 4.170 0.114 0.000 0.242 66 I C 1.381 177.490 176.117 -0.014 0.000 1.088 66 I CA 1.714 63.049 61.300 0.059 0.000 1.357 66 I CB -0.315 37.733 38.000 0.081 0.000 1.051 66 I HN -0.452 7.790 8.210 0.053 0.000 0.409 67 I N -0.911 119.641 120.570 -0.030 0.000 2.118 67 I HA -0.682 3.479 4.170 -0.014 0.000 0.241 67 I C 1.835 178.000 176.117 0.079 0.000 1.070 67 I CA 4.660 65.967 61.300 0.012 0.000 1.327 67 I CB -0.560 37.446 38.000 0.010 0.000 1.034 67 I HN 0.020 8.225 8.210 -0.009 0.000 0.405 68 N N -2.477 116.206 118.700 -0.029 0.000 2.412 68 N HA 0.024 4.976 4.740 -0.058 -0.246 0.184 68 N C 1.300 176.732 175.510 -0.131 0.000 1.101 68 N CA 1.519 54.514 53.050 -0.092 0.000 0.881 68 N CB 0.191 38.560 38.487 -0.196 0.000 0.969 68 N HN -0.571 7.777 8.380 -0.054 0.000 0.459 69 A N 0.580 123.325 122.820 -0.125 0.000 1.929 69 A HA -0.200 3.837 4.320 -0.472 0.000 0.216 69 A C 0.960 178.384 177.584 -0.267 0.000 1.176 69 A CA 2.869 54.738 52.037 -0.278 0.000 0.628 69 A CB -0.427 18.449 19.000 -0.207 0.000 0.816 69 A HN -0.010 7.908 8.150 -0.056 0.198 0.444 70 F N -4.266 115.607 119.950 -0.128 0.000 2.387 70 F HA 0.009 4.484 4.527 -0.088 0.000 0.294 70 F C -1.135 174.733 175.800 0.113 0.000 1.093 70 F CA 2.524 60.460 58.000 -0.108 0.000 1.420 70 F CB 2.585 41.379 39.000 -0.342 0.000 1.086 70 F HN -0.757 7.672 8.300 0.215 0.000 0.531 71 F N -8.320 111.663 119.950 0.056 0.000 2.690 71 F HA 0.479 5.011 4.527 0.008 0.000 0.311 71 F C -2.961 172.816 175.800 -0.038 0.000 1.111 71 F CA -4.590 53.428 58.000 0.028 0.000 1.003 71 F CB -1.178 37.884 39.000 0.103 0.000 1.283 71 F HN -0.831 7.913 8.300 0.739 0.000 0.442 72 P HA 0.093 4.384 4.420 -0.215 0.000 0.288 72 P C -0.540 176.547 177.300 -0.354 0.000 1.291 72 P CA -0.680 62.297 63.100 -0.204 0.000 0.766 72 P CB 1.224 32.845 31.700 -0.131 0.000 1.242 73 E N -0.657 119.383 120.200 -0.266 0.000 1.892 73 E HA -0.139 3.994 4.350 -0.361 0.000 0.271 73 E C -0.599 175.890 176.600 -0.185 0.000 1.146 73 E CA 0.047 56.292 56.400 -0.259 0.000 1.096 73 E CB -1.591 28.001 29.700 -0.180 0.000 1.155 73 E HN 0.282 8.515 8.360 -0.211 0.000 0.458 74 G N 4.471 113.150 108.800 -0.200 0.000 3.755 74 G HA2 0.041 3.953 3.960 -0.081 0.000 0.180 74 G HA3 0.041 3.961 3.960 -0.068 0.000 0.180 74 G C -0.924 173.935 174.900 -0.068 0.000 1.374 74 G CA 0.551 45.591 45.100 -0.099 0.000 0.860 74 G HN -0.215 7.850 8.290 -0.309 0.039 0.743 75 E N 1.456 121.607 120.200 -0.082 0.000 2.248 75 E HA 0.182 4.578 4.350 0.077 0.000 0.272 75 E C -0.945 175.713 176.600 0.098 0.000 1.008 75 E CA -0.707 55.733 56.400 0.067 0.000 0.856 75 E CB 2.307 32.135 29.700 0.214 0.000 1.120 75 E HN -0.477 7.784 8.360 -0.164 0.000 0.397 76 D N 0.222 120.765 120.400 0.239 0.000 2.462 76 D HA -0.050 4.810 4.640 0.367 0.000 0.221 76 D C -1.268 175.303 176.300 0.451 0.000 1.173 76 D CA -0.473 53.728 54.000 0.336 0.000 0.831 76 D CB 0.315 41.218 40.800 0.171 0.000 1.001 76 D HN 0.028 8.520 8.370 0.202 0.000 0.499 77 Q N -3.568 116.523 119.800 0.485 0.000 2.443 77 Q HA 0.046 4.670 4.340 0.099 -0.224 0.258 77 Q C -2.323 173.765 176.000 0.147 0.000 0.967 77 Q CA -1.171 54.755 55.803 0.206 0.000 0.951 77 Q CB 2.887 31.708 28.738 0.139 0.000 1.459 77 Q HN -0.829 7.726 8.270 0.591 0.070 0.415 78 V N 4.540 124.421 119.914 -0.054 0.000 2.370 78 V HA 0.343 4.553 4.120 0.150 0.000 0.283 78 V C -1.447 174.734 176.094 0.145 0.000 1.023 78 V CA -2.790 59.544 62.300 0.057 0.000 0.857 78 V CB 2.051 33.882 31.823 0.013 0.000 0.985 78 V HN 0.357 8.393 8.190 -0.177 0.048 0.443 79 N N 7.789 126.598 118.700 0.180 0.000 2.327 79 N HA 0.096 5.123 4.740 0.210 -0.160 0.257 79 N C 0.588 176.272 175.510 0.290 0.000 1.281 79 N CA -0.615 52.565 53.050 0.217 0.000 0.942 79 N CB 0.847 39.444 38.487 0.183 0.000 1.199 79 N HN 0.015 8.499 8.380 0.173 0.000 0.532 80 F N 0.518 120.538 119.950 0.117 0.000 2.333 80 F HA -0.355 4.210 4.527 0.063 0.000 0.300 80 F C 0.841 176.663 175.800 0.036 0.000 1.083 80 F CA 2.957 60.934 58.000 -0.040 0.000 1.395 80 F CB 0.307 39.051 39.000 -0.427 0.000 1.056 80 F HN 0.520 9.043 8.300 0.372 0.000 0.529 81 R N 0.366 120.982 120.500 0.194 0.000 2.088 81 R HA -0.392 4.035 4.340 0.144 0.000 0.232 81 R C 2.231 178.519 176.300 -0.021 0.000 1.136 81 R CA 3.882 60.043 56.100 0.101 0.000 0.926 81 R CB -0.637 29.743 30.300 0.133 0.000 0.837 81 R HN 0.046 8.431 8.270 0.265 0.044 0.429 82 G N -3.402 105.423 108.800 0.042 0.000 2.448 82 G HA2 -0.194 3.749 3.960 -0.029 0.000 0.218 82 G HA3 -0.194 3.788 3.960 0.037 0.000 0.218 82 G C 1.053 175.917 174.900 -0.061 0.000 1.135 82 G CA 0.937 46.036 45.100 -0.001 0.000 0.784 82 G HN -0.246 8.105 8.290 0.102 0.000 0.543 83 F N 4.125 123.993 119.950 -0.136 0.000 2.063 83 F HA -0.395 4.201 4.527 0.114 0.000 0.298 83 F C 0.981 176.625 175.800 -0.260 0.000 1.109 83 F CA 4.088 62.028 58.000 -0.100 0.000 1.212 83 F CB 0.433 39.375 39.000 -0.097 0.000 0.973 83 F HN -0.535 7.761 8.300 0.168 0.105 0.480 84 M N -4.244 115.266 119.600 -0.151 0.000 2.447 84 M HA -0.056 4.402 4.480 -0.036 0.000 0.264 84 M C 2.434 178.643 176.300 -0.152 0.000 1.095 84 M CA 0.179 55.380 55.300 -0.166 0.000 1.125 84 M CB -0.999 31.398 32.600 -0.338 0.000 1.389 84 M HN -0.583 7.483 8.290 -0.374 0.000 0.459 85 R N 0.756 121.165 120.500 -0.152 0.000 2.115 85 R HA -0.211 4.081 4.340 -0.079 0.000 0.226 85 R C 2.329 178.542 176.300 -0.144 0.000 1.100 85 R CA 3.481 59.519 56.100 -0.103 0.000 0.980 85 R CB 0.098 30.368 30.300 -0.050 0.000 0.875 85 R HN -0.423 7.599 8.270 -0.160 0.152 0.445 86 T N 1.822 116.236 114.554 -0.234 0.000 2.781 86 T HA -0.230 4.085 4.350 -0.059 0.000 0.252 86 T C 0.953 175.486 174.700 -0.279 0.000 1.039 86 T CA 4.709 66.656 62.100 -0.255 0.000 1.147 86 T CB 0.351 68.870 68.868 -0.581 0.000 0.865 86 T HN 0.072 8.026 8.240 -0.280 0.118 0.423 87 L N -2.172 118.892 121.223 -0.264 0.000 2.265 87 L HA -0.169 4.295 4.340 0.207 0.000 0.215 87 L C 1.222 178.121 176.870 0.049 0.000 1.117 87 L CA 2.365 57.200 54.840 -0.009 0.000 0.782 87 L CB 0.002 42.027 42.059 -0.056 0.000 0.914 87 L HN -0.659 7.321 8.230 -0.415 0.000 0.441 88 A N -3.290 119.478 122.820 -0.087 0.000 2.169 88 A HA -0.053 4.346 4.320 0.008 -0.074 0.210 88 A C 0.056 177.496 177.584 -0.241 0.000 1.168 88 A CA 0.738 52.729 52.037 -0.077 0.000 0.813 88 A CB -0.028 18.941 19.000 -0.051 0.000 0.861 88 A HN -0.547 7.483 8.150 -0.141 0.035 0.481 89 H N -0.707 118.034 119.070 -0.547 0.000 2.554 89 H HA -0.281 3.988 4.556 -0.479 0.000 0.290 89 H C 0.021 174.814 175.328 -0.892 0.000 1.058 89 H CA 2.295 57.874 56.048 -0.781 0.000 1.224 89 H CB -0.325 28.726 29.762 -1.185 0.000 1.359 89 H HN -0.576 7.377 8.280 -0.352 0.115 0.589 90 F N -4.196 115.480 119.950 -0.457 0.000 2.663 90 F HA 0.148 4.445 4.527 -0.557 -0.104 0.299 90 F C -0.395 175.219 175.800 -0.310 0.000 1.143 90 F CA -0.750 57.001 58.000 -0.416 0.000 1.387 90 F CB -1.091 37.764 39.000 -0.241 0.000 1.019 90 F HN -0.843 7.054 8.300 -0.475 0.118 0.523 91 R N 1.662 122.030 120.500 -0.220 0.000 2.489 91 R HA 0.102 4.551 4.340 -0.125 -0.183 0.287 91 R C -1.640 174.557 176.300 -0.172 0.000 1.053 91 R CA -1.408 54.591 56.100 -0.169 0.000 1.036 91 R CB 0.867 31.060 30.300 -0.178 0.000 0.966 91 R HN -0.624 7.338 8.270 -0.350 0.098 0.432 92 P HA 0.088 4.438 4.420 -0.117 0.000 0.271 92 P C -0.278 176.952 177.300 -0.118 0.000 1.216 92 P CA -0.936 62.091 63.100 -0.121 0.000 0.771 92 P CB 0.445 32.082 31.700 -0.105 0.000 0.864 93 I N 2.988 123.496 120.570 -0.103 0.000 2.775 93 I HA -0.251 3.864 4.170 -0.090 0.000 0.290 93 I C 0.583 176.655 176.117 -0.075 0.000 1.203 93 I CA 1.486 62.735 61.300 -0.085 0.000 1.433 93 I CB 0.153 38.112 38.000 -0.068 0.000 1.354 93 I HN 0.236 8.386 8.210 -0.100 0.000 0.579 94 E N 4.682 124.841 120.200 -0.068 0.000 2.673 94 E HA 0.039 4.540 4.350 -0.053 -0.183 0.215 94 E C -1.169 175.405 176.600 -0.044 0.000 0.935 94 E CA -0.069 56.296 56.400 -0.058 0.000 1.341 94 E CB 1.914 31.571 29.700 -0.071 0.000 1.277 94 E HN 0.252 8.572 8.360 -0.067 0.000 0.667 95 D N -1.570 118.805 120.400 -0.042 0.000 2.414 95 D HA -0.081 4.543 4.640 -0.027 0.000 0.237 95 D C -0.306 175.978 176.300 -0.026 0.000 0.975 95 D CA 1.675 55.657 54.000 -0.030 0.000 0.917 95 D CB 0.656 41.439 40.800 -0.029 0.000 1.061 95 D HN -0.281 8.060 8.370 -0.048 0.000 0.480 96 N N -1.903 116.780 118.700 -0.027 0.000 2.370 96 N HA -0.096 4.633 4.740 -0.018 0.000 0.198 96 N C 0.215 175.710 175.510 -0.025 0.000 1.156 96 N CA 0.156 53.192 53.050 -0.023 0.000 0.839 96 N CB 0.048 38.522 38.487 -0.021 0.000 0.989 96 N HN -0.086 8.275 8.380 -0.032 0.000 0.468 97 E N -0.904 119.279 120.200 -0.028 0.000 3.187 97 E HA -0.104 4.228 4.350 -0.031 0.000 0.297 97 E C -0.100 176.486 176.600 -0.023 0.000 1.515 97 E CA 0.466 56.848 56.400 -0.029 0.000 1.641 97 E CB -2.226 27.454 29.700 -0.033 0.000 1.314 97 E HN 0.166 8.403 8.360 -0.030 0.105 0.462 98 K N -4.080 116.308 120.400 -0.020 0.000 3.495 98 K HA -0.528 3.782 4.320 -0.015 0.000 0.288 98 K C -0.845 175.746 176.600 -0.014 0.000 0.908 98 K CA 2.242 58.519 56.287 -0.017 0.000 1.231 98 K CB -0.921 31.569 32.500 -0.017 0.000 1.399 98 K HN 0.855 8.996 8.250 -0.021 0.096 0.465 99 S N -2.509 113.182 115.700 -0.015 0.000 2.608 99 S HA 0.003 4.466 4.470 -0.011 0.000 0.261 99 S C -0.307 174.286 174.600 -0.012 0.000 1.314 99 S CA 0.229 58.421 58.200 -0.013 0.000 0.992 99 S CB 0.468 63.660 63.200 -0.014 0.000 0.935 99 S HN -0.397 7.748 8.310 -0.018 0.154 0.564 100 K N 0.607 121.002 120.400 -0.010 0.000 2.589 100 K HA 0.259 4.573 4.320 -0.009 0.000 0.198 100 K C -1.123 175.472 176.600 -0.007 0.000 1.114 100 K CA -0.423 55.859 56.287 -0.008 0.000 1.070 100 K CB 0.222 32.718 32.500 -0.007 0.000 0.860 100 K HN 0.182 8.427 8.250 -0.009 0.000 0.536 101 D N 0.497 120.893 120.400 -0.007 0.000 2.492 101 D HA 0.067 4.704 4.640 -0.006 0.000 0.229 101 D C -0.263 176.033 176.300 -0.006 0.000 1.345 101 D CA 0.643 54.640 54.000 -0.006 0.000 0.912 101 D CB 0.345 41.142 40.800 -0.004 0.000 1.526 101 D HN -0.562 7.803 8.370 -0.009 0.000 0.505 102 V N 1.817 121.727 119.914 -0.007 0.000 2.691 102 V HA 0.076 4.192 4.120 -0.006 0.000 0.180 102 V C -0.327 175.765 176.094 -0.003 0.000 1.156 102 V CA 0.728 63.024 62.300 -0.007 0.000 1.342 102 V CB -0.101 31.714 31.823 -0.012 0.000 0.916 102 V HN 0.218 8.403 8.190 -0.008 0.000 0.475 103 N N -3.074 115.625 118.700 -0.002 0.000 1.844 103 N HA -0.047 4.694 4.740 0.002 0.000 0.232 103 N C -1.109 174.403 175.510 0.002 0.000 1.452 103 N CA 0.199 53.251 53.050 0.002 0.000 0.701 103 N CB 1.473 39.964 38.487 0.007 0.000 1.038 103 N HN -0.060 8.317 8.380 -0.006 0.000 0.573 104 G N 1.224 110.022 108.800 -0.002 0.000 4.341 104 G HA2 0.028 3.988 3.960 -0.000 0.000 0.252 104 G HA3 0.028 3.989 3.960 0.001 0.000 0.252 104 G C -3.020 171.874 174.900 -0.010 0.000 2.181 104 G CA -0.024 45.075 45.100 -0.003 0.000 0.602 104 G HN -0.201 8.085 8.290 -0.006 0.000 0.346 105 P HA 0.224 4.631 4.420 -0.023 0.000 0.268 105 P C -1.220 176.072 177.300 -0.013 0.000 1.541 105 P CA -0.607 62.483 63.100 -0.016 0.000 1.093 105 P CB -0.667 31.025 31.700 -0.013 0.000 1.551 106 E N 5.580 125.770 120.200 -0.016 0.000 2.283 106 E HA 0.292 4.639 4.350 -0.006 0.000 0.271 106 E C -1.634 174.958 176.600 -0.014 0.000 1.031 106 E CA -3.322 53.071 56.400 -0.011 0.000 0.868 106 E CB -0.526 29.169 29.700 -0.009 0.000 1.094 106 E HN -0.153 8.193 8.360 -0.023 0.000 0.401 107 P HA 0.018 4.436 4.420 -0.003 0.000 0.271 107 P C -1.341 175.960 177.300 0.003 0.000 1.380 107 P CA 0.002 63.101 63.100 -0.002 0.000 0.992 107 P CB -0.711 30.990 31.700 0.001 0.000 1.230 108 L N 3.394 124.614 121.223 -0.006 0.000 2.787 108 L HA 0.120 4.490 4.340 0.049 0.000 0.260 108 L C -1.845 174.986 176.870 -0.065 0.000 0.921 108 L CA 0.623 55.459 54.840 -0.006 0.000 0.984 108 L CB 3.328 45.366 42.059 -0.035 0.000 1.519 108 L HN -0.346 7.875 8.230 -0.016 0.000 0.452 109 N N 0.320 118.981 118.700 -0.065 0.000 2.782 109 N HA -0.384 3.972 4.740 -0.639 0.000 0.251 109 N C -1.778 173.663 175.510 -0.115 0.000 1.101 109 N CA 1.230 54.085 53.050 -0.326 0.000 0.764 109 N CB -0.513 37.709 38.487 -0.441 0.000 1.122 109 N HN 0.318 8.923 8.380 0.151 -0.135 0.561 110 S N -3.712 111.987 115.700 -0.002 0.000 2.645 110 S HA -0.032 4.426 4.470 -0.021 0.000 0.266 110 S C 0.674 175.304 174.600 0.050 0.000 1.258 110 S CA -0.551 57.655 58.200 0.010 0.000 0.990 110 S CB 2.228 65.439 63.200 0.019 0.000 0.967 110 S HN -0.734 7.565 8.310 0.043 0.037 0.556 111 R N 2.490 123.012 120.500 0.037 0.000 2.132 111 R HA -0.433 4.006 4.340 0.045 -0.071 0.233 111 R C 1.672 178.034 176.300 0.104 0.000 1.125 111 R CA 4.777 60.909 56.100 0.053 0.000 0.914 111 R CB -0.532 29.786 30.300 0.031 0.000 0.845 111 R HN 0.656 8.937 8.270 0.018 0.000 0.431 112 S N -1.366 114.400 115.700 0.110 0.000 2.407 112 S HA -0.319 4.287 4.470 0.226 0.000 0.235 112 S C 2.121 176.833 174.600 0.187 0.000 1.036 112 S CA 3.350 61.646 58.200 0.161 0.000 1.013 112 S CB -0.867 62.399 63.200 0.110 0.000 0.820 112 S HN 0.180 8.539 8.310 0.082 0.000 0.476 113 N N 1.698 120.503 118.700 0.175 0.000 2.300 113 N HA -0.208 4.680 4.740 0.248 0.000 0.179 113 N C 1.606 177.326 175.510 0.351 0.000 1.016 113 N CA 2.597 55.799 53.050 0.253 0.000 0.876 113 N CB 0.123 38.755 38.487 0.241 0.000 0.979 113 N HN -0.668 7.653 8.380 0.134 0.139 0.432 114 K N 1.321 121.905 120.400 0.307 0.000 2.032 114 K HA -0.273 4.334 4.320 0.477 0.000 0.209 114 K C 2.018 178.805 176.600 0.311 0.000 1.048 114 K CA 2.963 59.444 56.287 0.322 0.000 0.927 114 K CB -0.201 32.404 32.500 0.175 0.000 0.712 114 K HN 0.236 8.400 8.250 0.217 0.216 0.441 115 L N -2.771 118.615 121.223 0.272 0.000 2.017 115 L HA -0.338 4.189 4.340 0.312 0.000 0.208 115 L C 2.225 179.303 176.870 0.345 0.000 1.073 115 L CA 3.293 58.315 54.840 0.303 0.000 0.745 115 L CB -1.437 40.810 42.059 0.312 0.000 0.894 115 L HN -0.513 7.858 8.230 0.235 0.000 0.432 116 H N -0.552 118.654 119.070 0.226 0.000 2.422 116 H HA -0.415 4.331 4.556 0.315 0.000 0.298 116 H C 2.194 177.648 175.328 0.210 0.000 1.098 116 H CA 3.668 59.861 56.048 0.243 0.000 1.315 116 H CB 0.622 30.472 29.762 0.147 0.000 1.382 116 H HN -0.555 7.961 8.280 0.393 0.000 0.523 117 F N 1.100 120.985 119.950 -0.109 0.000 2.059 117 F HA -0.344 3.888 4.527 -0.491 0.000 0.289 117 F C 0.372 176.080 175.800 -0.154 0.000 1.128 117 F CA 3.274 61.053 58.000 -0.367 0.000 1.181 117 F CB -0.002 38.544 39.000 -0.757 0.000 1.012 117 F HN 0.074 8.406 8.300 0.271 0.130 0.473 118 A N -1.440 121.449 122.820 0.115 0.000 2.093 118 A HA -0.405 3.832 4.320 -0.139 0.000 0.222 118 A C 1.864 179.421 177.584 -0.046 0.000 1.162 118 A CA 2.772 54.802 52.037 -0.012 0.000 0.655 118 A CB -1.256 17.817 19.000 0.123 0.000 0.805 118 A HN -0.177 8.189 8.150 0.360 0.000 0.461 119 F N 0.311 120.191 119.950 -0.118 0.000 2.074 119 F HA -0.262 4.245 4.527 -0.033 0.000 0.293 119 F C 1.310 177.002 175.800 -0.180 0.000 1.116 119 F CA 1.718 59.657 58.000 -0.102 0.000 1.212 119 F CB -0.052 38.905 39.000 -0.071 0.000 0.998 119 F HN -0.154 8.184 8.300 0.185 0.073 0.471 120 R N -2.146 117.916 120.500 -0.732 0.000 2.119 120 R HA -0.455 3.261 4.340 -1.041 0.000 0.246 120 R C 1.948 177.927 176.300 -0.536 0.000 1.146 120 R CA 3.360 58.976 56.100 -0.806 0.000 0.962 120 R CB -0.209 29.683 30.300 -0.680 0.000 0.863 120 R HN -0.611 7.371 8.270 -0.481 0.000 0.442 121 L N -4.638 116.315 121.223 -0.450 0.000 2.012 121 L HA -0.291 3.919 4.340 -0.217 0.000 0.210 121 L C 1.609 178.526 176.870 0.078 0.000 1.073 121 L CA 2.546 57.260 54.840 -0.210 0.000 0.748 121 L CB 0.074 41.998 42.059 -0.225 0.000 0.891 121 L HN -0.641 7.250 8.230 -0.550 0.009 0.431 122 Y N -6.517 113.672 120.300 -0.185 0.000 2.511 122 Y HA -0.014 4.487 4.550 -0.082 0.000 0.279 122 Y C 0.712 176.503 175.900 -0.182 0.000 1.157 122 Y CA -1.830 56.208 58.100 -0.104 0.000 1.300 122 Y CB 0.201 38.676 38.460 0.024 0.000 1.052 122 Y HN -0.860 7.437 8.280 0.029 0.000 0.529 123 D N 0.813 121.063 120.400 -0.250 0.000 2.551 123 D HA 0.026 4.548 4.640 -0.195 0.000 0.223 123 D C 0.221 176.348 176.300 -0.287 0.000 1.144 123 D CA -0.048 53.698 54.000 -0.424 0.000 1.025 123 D CB -0.887 39.136 40.800 -1.295 0.000 1.085 123 D HN 0.338 8.230 8.370 -0.368 0.257 0.506 124 L N 3.816 124.943 121.223 -0.161 0.000 2.127 124 L HA 0.051 4.293 4.340 -0.162 0.000 0.203 124 L C -0.303 176.497 176.870 -0.116 0.000 1.080 124 L CA 1.765 56.521 54.840 -0.139 0.000 0.768 124 L CB 0.713 42.707 42.059 -0.108 0.000 0.924 124 L HN 0.507 8.936 8.230 -0.116 -0.269 0.444 125 D N -5.243 115.108 120.400 -0.082 0.000 2.348 125 D HA -0.032 4.571 4.640 -0.061 0.000 0.211 125 D C 0.167 176.444 176.300 -0.039 0.000 0.998 125 D CA 0.545 54.512 54.000 -0.055 0.000 0.873 125 D CB 0.593 41.373 40.800 -0.033 0.000 0.925 125 D HN -0.006 8.742 8.370 -0.073 -0.421 0.524 126 K N -3.687 116.687 120.400 -0.043 0.000 3.167 126 K HA -0.319 4.421 4.320 0.026 -0.405 0.272 126 K C -0.956 175.686 176.600 0.071 0.000 1.137 126 K CA 0.908 57.204 56.287 0.014 0.000 0.800 126 K CB -2.333 30.161 32.500 -0.011 0.000 1.253 126 K HN -0.052 8.187 8.250 -0.080 -0.037 0.497 127 D N -0.758 119.688 120.400 0.076 0.000 2.363 127 D HA -0.044 4.619 4.640 0.039 0.000 0.226 127 D C 0.474 176.826 176.300 0.087 0.000 1.020 127 D CA 0.747 54.784 54.000 0.062 0.000 0.892 127 D CB 0.031 40.855 40.800 0.041 0.000 0.900 127 D HN -0.075 8.324 8.370 0.067 0.011 0.531 128 E N -8.276 112.039 120.200 0.192 0.000 4.233 128 E HA -0.505 3.993 4.350 0.246 0.000 0.400 128 E C -1.995 174.631 176.600 0.042 0.000 0.563 128 E CA 1.529 58.004 56.400 0.125 0.000 1.422 128 E CB -1.664 28.025 29.700 -0.019 0.000 1.876 128 E HN -0.311 8.264 8.360 0.271 -0.052 0.364 129 K N -4.094 116.410 120.400 0.172 0.000 2.522 129 K HA 0.264 4.632 4.320 0.080 0.000 0.275 129 K C -1.725 174.973 176.600 0.163 0.000 1.006 129 K CA -2.271 54.082 56.287 0.109 0.000 0.890 129 K CB 3.737 36.230 32.500 -0.011 0.000 1.475 129 K HN -0.531 7.733 8.250 0.180 0.094 0.441 130 I N 0.955 121.593 120.570 0.112 0.000 2.421 130 I HA 0.127 4.519 4.170 0.122 -0.148 0.291 130 I C 0.447 176.596 176.117 0.052 0.000 1.089 130 I CA -2.110 59.256 61.300 0.111 0.000 1.354 130 I CB -2.801 35.302 38.000 0.172 0.000 1.413 130 I HN 0.593 8.694 8.210 0.035 0.130 0.513 131 S N 6.876 122.596 115.700 0.032 0.000 2.626 131 S HA 0.111 4.590 4.470 0.016 0.000 0.257 131 S C 1.059 175.660 174.600 0.002 0.000 1.288 131 S CA -0.941 57.266 58.200 0.013 0.000 0.980 131 S CB 1.950 65.151 63.200 0.002 0.000 0.975 131 S HN 0.965 9.824 8.310 0.032 -0.529 0.577 132 R N 0.083 120.583 120.500 -0.001 0.000 2.115 132 R HA -0.216 4.126 4.340 0.003 0.000 0.226 132 R C 1.338 177.624 176.300 -0.022 0.000 1.100 132 R CA 3.263 59.360 56.100 -0.004 0.000 0.980 132 R CB -0.397 29.903 30.300 0.000 0.000 0.875 132 R HN 0.676 8.947 8.270 0.001 0.000 0.445 133 D N -0.650 119.734 120.400 -0.026 0.000 2.178 133 D HA -0.171 4.448 4.640 -0.035 0.000 0.202 133 D C 1.820 178.082 176.300 -0.064 0.000 0.974 133 D CA 3.227 57.204 54.000 -0.038 0.000 0.841 133 D CB -0.255 40.525 40.800 -0.034 0.000 0.953 133 D HN -0.123 8.235 8.370 -0.020 0.000 0.478 134 E N 0.384 120.541 120.200 -0.073 0.000 2.014 134 E HA -0.239 4.028 4.350 -0.138 0.000 0.190 134 E C 2.072 178.555 176.600 -0.194 0.000 0.980 134 E CA 2.544 58.865 56.400 -0.130 0.000 0.807 134 E CB -0.091 29.544 29.700 -0.108 0.000 0.770 134 E HN -0.276 8.040 8.360 -0.051 0.014 0.451 135 L N -0.458 120.683 121.223 -0.137 0.000 2.021 135 L HA -0.404 3.791 4.340 -0.243 0.000 0.215 135 L C 1.903 178.706 176.870 -0.111 0.000 1.074 135 L CA 3.036 57.802 54.840 -0.123 0.000 0.760 135 L CB 0.083 42.153 42.059 0.019 0.000 0.889 135 L HN -0.130 8.057 8.230 -0.072 0.000 0.433 136 L N -2.803 118.378 121.223 -0.070 0.000 2.017 136 L HA -0.506 3.816 4.340 -0.031 0.000 0.208 136 L C 1.766 178.593 176.870 -0.073 0.000 1.073 136 L CA 3.409 58.218 54.840 -0.050 0.000 0.745 136 L CB -0.311 41.728 42.059 -0.033 0.000 0.894 136 L HN -0.089 7.999 8.230 -0.057 0.109 0.432 137 Q N -2.010 117.732 119.800 -0.096 0.000 2.173 137 Q HA -0.384 3.917 4.340 -0.065 0.000 0.208 137 Q C 2.851 178.785 176.000 -0.109 0.000 0.989 137 Q CA 3.157 58.903 55.803 -0.095 0.000 0.872 137 Q CB -0.263 28.410 28.738 -0.109 0.000 0.909 137 Q HN -0.531 7.680 8.270 -0.099 0.000 0.420 138 V N -1.003 118.804 119.914 -0.178 0.000 2.283 138 V HA -0.400 3.658 4.120 -0.102 0.000 0.239 138 V C 1.565 177.623 176.094 -0.060 0.000 1.035 138 V CA 3.210 65.415 62.300 -0.157 0.000 1.018 138 V CB -0.173 31.425 31.823 -0.374 0.000 0.658 138 V HN -0.576 7.462 8.190 -0.236 0.011 0.459 139 L N 0.081 121.274 121.223 -0.049 0.000 2.085 139 L HA -0.464 3.902 4.340 0.042 0.000 0.218 139 L C 1.559 178.431 176.870 0.004 0.000 1.080 139 L CA 3.429 58.275 54.840 0.010 0.000 0.776 139 L CB -0.687 41.384 42.059 0.019 0.000 0.891 139 L HN 0.109 8.279 8.230 -0.100 0.000 0.437 140 R N -2.789 117.703 120.500 -0.013 0.000 2.073 140 R HA -0.240 4.100 4.340 -0.000 0.000 0.229 140 R C 2.316 178.613 176.300 -0.004 0.000 1.120 140 R CA 2.842 58.938 56.100 -0.008 0.000 0.967 140 R CB -0.577 29.714 30.300 -0.015 0.000 0.862 140 R HN 0.307 8.439 8.270 -0.030 0.120 0.436 141 M N -0.631 118.963 119.600 -0.010 0.000 2.630 141 M HA -0.217 4.262 4.480 -0.001 0.000 0.254 141 M C 1.684 177.991 176.300 0.012 0.000 1.092 141 M CA 2.935 58.234 55.300 -0.002 0.000 1.087 141 M CB -0.062 32.533 32.600 -0.008 0.000 1.453 141 M HN -0.476 7.716 8.290 -0.024 0.084 0.509 142 M N -2.522 117.089 119.600 0.018 0.000 2.516 142 M HA -0.045 4.455 4.480 0.033 0.000 0.259 142 M C 1.246 177.561 176.300 0.025 0.000 1.146 142 M CA 2.316 57.635 55.300 0.031 0.000 1.122 142 M CB 1.502 34.132 32.600 0.050 0.000 1.341 142 M HN 0.004 8.113 8.290 0.013 0.189 0.478 143 V N -5.309 114.616 119.914 0.019 0.000 3.484 143 V HA 0.348 4.478 4.120 0.017 0.000 0.252 143 V C 1.574 177.675 176.094 0.011 0.000 1.282 143 V CA 0.674 62.984 62.300 0.016 0.000 1.104 143 V CB 0.250 32.083 31.823 0.017 0.000 0.868 143 V HN -0.428 7.669 8.190 0.016 0.102 0.457 144 G N 1.908 110.713 108.800 0.009 0.000 2.516 144 G HA2 -0.332 3.631 3.960 0.005 0.000 0.221 144 G HA3 -0.332 3.679 3.960 0.003 -0.049 0.221 144 G C 1.750 176.654 174.900 0.006 0.000 1.107 144 G CA 2.443 47.546 45.100 0.006 0.000 0.747 144 G HN 0.538 8.715 8.290 0.008 0.118 0.567 145 V N -0.847 119.072 119.914 0.008 0.000 2.660 145 V HA -0.334 3.790 4.120 0.007 0.000 0.257 145 V C -0.136 175.962 176.094 0.007 0.000 1.088 145 V CA 1.968 64.273 62.300 0.008 0.000 1.106 145 V CB 0.436 32.265 31.823 0.011 0.000 0.686 145 V HN -0.014 8.120 8.190 0.010 0.062 0.481 146 N N -3.365 115.339 118.700 0.007 0.000 2.261 146 N HA 0.101 4.844 4.740 0.005 0.000 0.241 146 N C -2.066 173.447 175.510 0.006 0.000 1.374 146 N CA -0.235 52.818 53.050 0.006 0.000 0.802 146 N CB 2.454 40.946 38.487 0.007 0.000 1.339 146 N HN -0.134 8.098 8.380 0.008 0.153 0.498 147 I N 0.312 120.886 120.570 0.006 0.000 2.404 147 I HA 0.154 4.328 4.170 0.006 0.000 0.293 147 I C 0.028 176.148 176.117 0.004 0.000 0.992 147 I CA -2.399 58.905 61.300 0.006 0.000 1.149 147 I CB 1.138 39.142 38.000 0.007 0.000 1.315 147 I HN -0.926 7.156 8.210 0.006 0.131 0.446 148 S N 6.028 121.730 115.700 0.004 0.000 2.650 148 S HA -0.111 4.361 4.470 0.003 0.000 0.251 148 S C 0.237 174.839 174.600 0.002 0.000 1.325 148 S CA 0.166 58.368 58.200 0.003 0.000 0.967 148 S CB 0.668 63.870 63.200 0.003 0.000 1.000 148 S HN 0.214 8.527 8.310 0.004 0.000 0.584 149 D N 0.462 120.863 120.400 0.002 0.000 2.154 149 D HA -0.203 4.437 4.640 0.000 0.000 0.211 149 D C 1.752 178.052 176.300 0.001 0.000 0.977 149 D CA 3.411 57.412 54.000 0.001 0.000 0.869 149 D CB 0.042 40.842 40.800 0.000 0.000 1.022 149 D HN 0.353 8.724 8.370 0.002 0.000 0.461 150 E N -1.735 118.465 120.200 0.002 0.000 2.267 150 E HA -0.398 3.953 4.350 0.002 0.000 0.197 150 E C 2.163 178.765 176.600 0.003 0.000 0.998 150 E CA 2.795 59.197 56.400 0.002 0.000 0.830 150 E CB -0.677 29.024 29.700 0.002 0.000 0.751 150 E HN 0.329 8.690 8.360 0.001 0.000 0.491 151 Q N -1.698 118.104 119.800 0.003 0.000 2.083 151 Q HA -0.176 4.167 4.340 0.005 0.000 0.198 151 Q C 2.334 178.338 176.000 0.005 0.000 0.969 151 Q CA 2.559 58.365 55.803 0.005 0.000 0.838 151 Q CB -0.555 28.186 28.738 0.005 0.000 0.900 151 Q HN 0.335 8.569 8.270 0.003 0.038 0.436 152 L N -0.188 121.038 121.223 0.004 0.000 2.044 152 L HA -0.290 4.054 4.340 0.007 0.000 0.205 152 L C 1.840 178.713 176.870 0.004 0.000 1.075 152 L CA 2.408 57.250 54.840 0.005 0.000 0.747 152 L CB -0.113 41.948 42.059 0.003 0.000 0.903 152 L HN -0.491 7.652 8.230 0.004 0.089 0.435 153 G N -2.924 105.878 108.800 0.003 0.000 2.469 153 G HA2 -0.460 3.501 3.960 0.001 0.000 0.220 153 G HA3 -0.460 3.501 3.960 0.002 0.000 0.220 153 G C 1.216 176.119 174.900 0.005 0.000 1.136 153 G CA 2.424 47.525 45.100 0.002 0.000 0.759 153 G HN 0.401 8.692 8.290 0.002 0.000 0.562 154 S N 2.119 117.823 115.700 0.006 0.000 2.446 154 S HA -0.067 4.408 4.470 0.007 0.000 0.225 154 S C 1.677 176.283 174.600 0.010 0.000 1.016 154 S CA 2.129 60.333 58.200 0.007 0.000 0.943 154 S CB 0.288 63.492 63.200 0.007 0.000 0.786 154 S HN -0.614 7.687 8.310 0.005 0.012 0.508 155 I N 1.802 122.378 120.570 0.010 0.000 2.716 155 I HA -0.297 3.881 4.170 0.014 0.000 0.259 155 I C 0.890 177.017 176.117 0.017 0.000 1.172 155 I CA 1.749 63.057 61.300 0.014 0.000 1.478 155 I CB -0.282 37.726 38.000 0.013 0.000 1.104 155 I HN -0.404 7.695 8.210 0.009 0.116 0.439 156 A N 0.249 123.077 122.820 0.014 0.000 1.903 156 A HA -0.187 4.146 4.320 0.021 0.000 0.213 156 A C 1.468 179.062 177.584 0.017 0.000 1.185 156 A CA 3.509 55.555 52.037 0.015 0.000 0.628 156 A CB -0.617 18.387 19.000 0.007 0.000 0.830 156 A HN 0.500 8.631 8.150 0.010 0.026 0.446 157 D N -1.355 119.053 120.400 0.013 0.000 2.117 157 D HA -0.271 4.377 4.640 0.013 0.000 0.197 157 D C 2.704 179.015 176.300 0.018 0.000 0.987 157 D CA 3.510 57.517 54.000 0.013 0.000 0.829 157 D CB -0.374 40.432 40.800 0.010 0.000 0.961 157 D HN -0.469 7.907 8.370 0.010 0.000 0.460 158 R N -1.795 118.715 120.500 0.018 0.000 2.148 158 R HA -0.130 4.221 4.340 0.019 0.000 0.223 158 R C 2.432 178.748 176.300 0.028 0.000 1.088 158 R CA 2.847 58.959 56.100 0.020 0.000 0.985 158 R CB -0.116 30.195 30.300 0.018 0.000 0.880 158 R HN -0.560 7.719 8.270 0.016 0.000 0.451 159 T N 3.072 117.645 114.554 0.031 0.000 2.701 159 T HA -0.230 4.323 4.350 0.043 -0.177 0.263 159 T C 1.922 176.654 174.700 0.054 0.000 1.040 159 T CA 5.055 67.181 62.100 0.044 0.000 1.147 159 T CB 0.023 68.919 68.868 0.046 0.000 0.865 159 T HN -0.569 7.572 8.240 0.027 0.116 0.426 160 I N -0.483 120.116 120.570 0.048 0.000 2.928 160 I HA -0.300 3.913 4.170 0.071 0.000 0.266 160 I C 1.030 177.172 176.117 0.042 0.000 1.234 160 I CA 2.819 64.150 61.300 0.052 0.000 1.483 160 I CB -0.442 37.583 38.000 0.040 0.000 1.097 160 I HN -0.255 7.979 8.210 0.039 0.000 0.455 161 Q N -1.392 118.428 119.800 0.034 0.000 2.302 161 Q HA -0.192 4.163 4.340 0.025 0.000 0.202 161 Q C 1.051 177.069 176.000 0.030 0.000 0.936 161 Q CA 2.342 58.161 55.803 0.027 0.000 0.886 161 Q CB 0.605 29.355 28.738 0.021 0.000 0.986 161 Q HN -0.442 7.703 8.270 0.032 0.145 0.487 162 E N -3.092 117.129 120.200 0.034 0.000 2.276 162 E HA -0.035 4.332 4.350 0.028 0.000 0.193 162 E C 0.954 177.580 176.600 0.043 0.000 0.983 162 E CA 1.463 57.883 56.400 0.034 0.000 0.861 162 E CB 0.346 30.064 29.700 0.031 0.000 0.817 162 E HN -0.182 8.112 8.360 0.037 0.088 0.485 163 A N -1.095 121.760 122.820 0.058 0.000 2.132 163 A HA -0.020 4.343 4.320 0.071 0.000 0.213 163 A C -0.484 177.142 177.584 0.069 0.000 1.154 163 A CA 0.080 52.163 52.037 0.077 0.000 0.753 163 A CB 0.726 19.797 19.000 0.119 0.000 0.826 163 A HN -0.593 7.593 8.150 0.059 0.000 0.469 164 D N -0.326 120.106 120.400 0.053 0.000 2.497 164 D HA -0.276 4.440 4.640 0.039 -0.052 0.285 164 D C -0.211 176.110 176.300 0.036 0.000 1.452 164 D CA 1.315 55.339 54.000 0.040 0.000 1.132 164 D CB -1.176 39.641 40.800 0.029 0.000 1.132 164 D HN -0.588 7.779 8.370 0.050 0.033 0.555 165 Q N 4.765 124.589 119.800 0.039 0.000 2.324 165 Q HA -0.090 4.269 4.340 0.032 0.000 0.207 165 Q C 0.837 176.854 176.000 0.029 0.000 0.928 165 Q CA 1.514 57.338 55.803 0.036 0.000 0.890 165 Q CB 1.156 29.920 28.738 0.044 0.000 1.001 165 Q HN 0.747 9.603 8.270 0.044 -0.560 0.517 166 D N -2.018 118.398 120.400 0.027 0.000 2.371 166 D HA -0.101 4.555 4.640 0.026 0.000 0.221 166 D C 0.819 177.127 176.300 0.014 0.000 0.986 166 D CA 0.857 54.870 54.000 0.021 0.000 0.899 166 D CB 0.114 40.924 40.800 0.016 0.000 0.902 166 D HN -0.580 8.033 8.370 0.025 -0.227 0.530 167 G N -0.860 107.949 108.800 0.015 0.000 2.166 167 G HA2 -0.429 3.688 3.960 0.015 0.000 0.260 167 G HA3 -0.429 3.538 3.960 0.011 0.000 0.260 167 G C -0.098 174.807 174.900 0.008 0.000 0.986 167 G CA 0.748 45.856 45.100 0.012 0.000 0.683 167 G HN -0.302 7.960 8.290 0.020 0.040 0.527 168 D N -1.787 118.617 120.400 0.006 0.000 2.319 168 D HA -0.070 4.570 4.640 0.001 0.000 0.230 168 D C -0.079 176.224 176.300 0.005 0.000 1.094 168 D CA -1.831 52.170 54.000 0.002 0.000 0.856 168 D CB -1.087 39.711 40.800 -0.004 0.000 0.915 168 D HN -0.523 7.822 8.370 0.007 0.030 0.517 169 S N -2.253 113.454 115.700 0.010 0.000 3.402 169 S HA -0.488 4.067 4.470 0.018 -0.074 0.329 169 S C -1.982 172.627 174.600 0.015 0.000 1.194 169 S CA 1.544 59.752 58.200 0.014 0.000 0.951 169 S CB -0.474 62.733 63.200 0.010 0.000 0.975 169 S HN 0.132 8.798 8.310 0.012 -0.349 0.574 170 A N -4.281 118.546 122.820 0.012 0.000 2.606 170 A HA 0.567 4.965 4.320 0.019 -0.066 0.293 170 A C -2.403 175.174 177.584 -0.012 0.000 1.082 170 A CA -1.086 50.956 52.037 0.008 0.000 0.685 170 A CB 3.237 22.240 19.000 0.006 0.000 1.284 170 A HN -0.736 7.757 8.150 0.009 -0.338 0.408 171 I N -2.707 117.838 120.570 -0.041 0.000 3.095 171 I HA 0.251 4.340 4.170 -0.135 0.000 0.310 171 I C -1.168 174.725 176.117 -0.373 0.000 1.196 171 I CA -0.187 61.013 61.300 -0.167 0.000 0.985 171 I CB 4.894 42.820 38.000 -0.124 0.000 1.250 171 I HN -0.031 8.171 8.210 -0.013 0.000 0.446 172 S N 1.685 116.981 115.700 -0.672 0.000 4.419 172 S HA -0.015 3.675 4.470 -1.300 0.000 0.161 172 S C -1.190 172.998 174.600 -0.686 0.000 1.008 172 S CA 2.139 59.849 58.200 -0.817 0.000 1.336 172 S CB 0.690 63.777 63.200 -0.187 0.000 1.536 172 S HN 0.379 8.347 8.310 -0.569 0.000 0.429 173 F N 0.399 120.088 119.950 -0.435 0.000 2.694 173 F HA 0.225 4.701 4.527 -0.085 0.000 0.292 173 F C 0.529 176.286 175.800 -0.071 0.000 1.121 173 F CA 1.135 59.023 58.000 -0.185 0.000 1.352 173 F CB 2.058 40.939 39.000 -0.198 0.000 1.107 173 F HN 0.321 8.560 8.300 -0.102 0.000 0.597 174 T N 1.766 116.312 114.554 -0.013 0.000 2.815 174 T HA -0.167 4.131 4.350 -0.088 0.000 0.244 174 T C 0.794 175.489 174.700 -0.009 0.000 1.040 174 T CA 5.156 67.249 62.100 -0.011 0.000 1.176 174 T CB 0.006 68.926 68.868 0.088 0.000 0.880 174 T HN -0.113 8.126 8.240 -0.001 0.000 0.414 175 E N 0.905 121.154 120.200 0.081 0.000 2.418 175 E HA -0.160 4.365 4.350 0.075 -0.129 0.197 175 E C 1.290 178.048 176.600 0.263 0.000 1.026 175 E CA 2.142 58.630 56.400 0.146 0.000 0.862 175 E CB -1.080 28.720 29.700 0.166 0.000 0.799 175 E HN 0.509 8.904 8.360 0.059 0.000 0.518 176 F N -0.639 119.263 119.950 -0.079 0.000 2.098 176 F HA -0.134 4.362 4.527 -0.052 0.000 0.294 176 F C 1.545 177.251 175.800 -0.156 0.000 1.107 176 F CA 1.615 59.561 58.000 -0.090 0.000 1.234 176 F CB -0.666 38.290 39.000 -0.074 0.000 1.002 176 F HN -0.544 7.872 8.300 0.304 0.067 0.472 177 V N -0.468 119.401 119.914 -0.074 0.000 2.287 177 V HA -0.665 3.343 4.120 -0.187 0.000 0.248 177 V C 1.443 177.471 176.094 -0.109 0.000 1.053 177 V CA 4.531 66.698 62.300 -0.221 0.000 1.027 177 V CB -0.004 31.502 31.823 -0.529 0.000 0.646 177 V HN -0.667 7.326 8.190 -0.148 0.109 0.447 178 K N -2.997 117.361 120.400 -0.070 0.000 2.209 178 K HA -0.286 4.156 4.320 -0.042 -0.147 0.204 178 K C 0.741 177.326 176.600 -0.025 0.000 1.048 178 K CA 2.631 58.898 56.287 -0.034 0.000 0.940 178 K CB -0.661 31.834 32.500 -0.008 0.000 0.729 178 K HN -0.064 8.144 8.250 -0.070 0.000 0.451 179 V N -2.019 117.882 119.914 -0.021 0.000 2.591 179 V HA -0.271 3.830 4.120 -0.033 0.000 0.249 179 V C 1.894 177.955 176.094 -0.055 0.000 1.053 179 V CA 2.280 64.555 62.300 -0.042 0.000 1.068 179 V CB 0.172 31.948 31.823 -0.077 0.000 0.689 179 V HN -0.470 7.554 8.190 -0.002 0.165 0.462 180 L N 0.361 121.550 121.223 -0.057 0.000 2.083 180 L HA -0.235 4.263 4.340 -0.057 -0.192 0.209 180 L C 3.039 179.883 176.870 -0.043 0.000 1.083 180 L CA 2.726 57.535 54.840 -0.053 0.000 0.752 180 L CB -0.746 41.282 42.059 -0.051 0.000 0.899 180 L HN -0.066 8.032 8.230 -0.055 0.099 0.433 181 E N -2.762 117.413 120.200 -0.041 0.000 2.396 181 E HA -0.254 4.078 4.350 -0.030 0.000 0.200 181 E C 0.848 177.431 176.600 -0.028 0.000 1.023 181 E CA 2.213 58.594 56.400 -0.032 0.000 0.857 181 E CB -0.510 29.173 29.700 -0.028 0.000 0.775 181 E HN -0.358 7.964 8.360 -0.046 0.011 0.525 182 K N -5.095 115.286 120.400 -0.032 0.000 2.391 182 K HA 0.070 4.375 4.320 -0.024 0.000 0.197 182 K C -0.928 175.652 176.600 -0.033 0.000 1.087 182 K CA 0.267 56.536 56.287 -0.029 0.000 1.012 182 K CB 2.096 34.579 32.500 -0.028 0.000 0.925 182 K HN -0.196 7.815 8.250 -0.037 0.217 0.547 183 V N -4.087 115.803 119.914 -0.040 0.000 2.655 183 V HA 0.168 4.265 4.120 -0.037 0.000 0.301 183 V C -1.505 174.563 176.094 -0.043 0.000 1.082 183 V CA -1.718 60.557 62.300 -0.042 0.000 0.899 183 V CB 2.751 34.544 31.823 -0.050 0.000 1.014 183 V HN -0.514 7.511 8.190 -0.042 0.139 0.429 184 D N 6.865 127.241 120.400 -0.040 0.000 2.671 184 D HA -0.061 4.557 4.640 -0.037 0.000 0.228 184 D C 0.415 176.690 176.300 -0.042 0.000 1.102 184 D CA -0.679 53.298 54.000 -0.039 0.000 1.044 184 D CB -1.700 39.078 40.800 -0.038 0.000 1.113 184 D HN 0.549 8.896 8.370 -0.038 0.000 0.480 185 V N 3.001 122.889 119.914 -0.043 0.000 2.867 185 V HA -0.472 3.621 4.120 -0.044 0.000 0.260 185 V C 0.961 177.038 176.094 -0.028 0.000 1.099 185 V CA 2.605 64.881 62.300 -0.040 0.000 1.122 185 V CB 0.015 31.809 31.823 -0.047 0.000 0.708 185 V HN 0.271 8.378 8.190 -0.045 0.055 0.490 186 E N -1.542 118.641 120.200 -0.028 0.000 2.118 186 E HA -0.359 3.980 4.350 -0.018 0.000 0.195 186 E C 1.109 177.674 176.600 -0.059 0.000 0.992 186 E CA 2.990 59.370 56.400 -0.033 0.000 0.804 186 E CB -0.501 29.180 29.700 -0.032 0.000 0.741 186 E HN -0.255 8.125 8.360 -0.029 -0.037 0.458 187 Q N -4.553 115.213 119.800 -0.057 0.000 2.331 187 Q HA -0.012 4.280 4.340 -0.080 0.000 0.203 187 Q C 1.406 177.364 176.000 -0.069 0.000 0.944 187 Q CA 1.845 57.607 55.803 -0.068 0.000 0.892 187 Q CB 0.148 28.848 28.738 -0.063 0.000 0.983 187 Q HN -0.652 7.578 8.270 -0.050 0.010 0.482 188 K N -1.209 119.155 120.400 -0.060 0.000 2.211 188 K HA -0.154 4.115 4.320 -0.085 0.000 0.203 188 K C 1.447 178.012 176.600 -0.058 0.000 1.050 188 K CA 2.055 58.302 56.287 -0.067 0.000 0.945 188 K CB 0.130 32.596 32.500 -0.056 0.000 0.732 188 K HN -0.803 7.266 8.250 -0.052 0.150 0.451 189 M N 0.030 119.617 119.600 -0.021 0.000 3.731 189 M HA -0.120 4.413 4.480 0.089 0.000 0.176 189 M C -1.551 174.777 176.300 0.046 0.000 1.554 189 M CA 0.342 55.679 55.300 0.060 0.000 1.718 189 M CB -2.685 29.946 32.600 0.052 0.000 1.246 189 M HN -0.619 7.632 8.290 -0.029 0.022 0.486 190 S N -1.804 113.861 115.700 -0.058 0.000 2.572 190 S HA 0.288 4.899 4.470 -0.018 -0.151 0.274 190 S C -1.179 173.328 174.600 -0.155 0.000 1.150 190 S CA -0.725 57.429 58.200 -0.077 0.000 0.944 190 S CB 2.204 65.355 63.200 -0.081 0.000 1.071 190 S HN 0.043 8.192 8.310 -0.094 0.105 0.479 191 I N 6.278 126.758 120.570 -0.150 0.000 2.396 191 I HA 0.090 4.096 4.170 -0.274 0.000 0.292 191 I C -0.795 175.264 176.117 -0.097 0.000 0.999 191 I CA -0.474 60.728 61.300 -0.163 0.000 1.310 191 I CB 1.430 39.376 38.000 -0.090 0.000 1.404 191 I HN 0.405 8.551 8.210 -0.107 0.000 0.496 192 R N 5.887 126.297 120.500 -0.150 0.000 4.109 192 R HA 0.002 4.363 4.340 0.036 0.000 0.101 192 R C -0.900 175.451 176.300 0.085 0.000 0.690 192 R CA 0.343 56.424 56.100 -0.031 0.000 1.473 192 R CB 1.120 31.379 30.300 -0.067 0.000 1.608 192 R HN 0.355 8.405 8.270 -0.366 0.000 0.431 193 F N -2.632 117.318 119.950 0.000 0.000 3.100 193 F HA -0.253 4.272 4.527 -0.002 0.000 0.283 193 F C 0.280 176.084 175.800 0.007 0.000 0.900 193 F CA 0.660 58.659 58.000 -0.001 0.000 1.010 193 F CB -1.338 37.656 39.000 -0.010 0.000 1.029 193 F HN 0.029 8.061 8.300 -0.446 0.000 0.637 194 L N -0.949 120.355 121.223 0.135 0.000 2.140 194 L HA 0.003 4.409 4.340 0.110 0.000 0.201 194 L C 1.515 178.449 176.870 0.107 0.000 1.191 194 L CA 1.115 56.023 54.840 0.113 0.000 0.825 194 L CB -0.327 41.789 42.059 0.095 0.000 0.970 194 L HN -0.524 7.724 8.230 0.072 0.025 0.477 195 H N 0.000 119.087 119.070 0.028 0.000 2.539 195 H HA 0.000 4.570 4.556 0.024 0.000 0.296 195 H CA 0.000 56.061 56.048 0.021 0.000 1.023 195 H CB 0.000 29.765 29.762 0.004 0.000 1.292 195 H HN 0.000 8.397 8.280 0.195 0.000 0.496