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 3lh3_1_C DATA FIRST_RESID 37 DATA SEQUENCE FDSTDETPAS YNLAVRRAAP AVVNVYNRGL NTNSHNQLEI RTLGSGVIMD DATA SEQUENCE QRGYIITNKH VINDADQIIV ALQDGRVFEA LLVGSDSLTD LAVLKINATG DATA SEQUENCE GLPTIPINAR RVPHIGDVVL AIGNPYNLGQ TITQGIISAT GRIGLNPTGR DATA SEQUENCE QNFLQTDASI NHGNXGGALV NSLGELMGIN TLSFDKSXXX ETPEGIGFAI DATA SEQUENCE PFQLATKIMD KLIRDGR 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 37 F HA 0.000 4.526 4.527 -0.002 0.000 0.279 37 F C 0.000 175.799 175.800 -0.002 0.000 0.967 37 F CA 0.000 57.999 58.000 -0.002 0.000 1.383 37 F CB 0.000 38.999 39.000 -0.002 0.000 1.145 38 D N 0.614 121.114 120.400 0.166 0.000 2.347 38 D HA 0.031 4.732 4.640 0.102 0.000 0.215 38 D C 0.090 176.428 176.300 0.064 0.000 0.976 38 D CA 1.509 55.568 54.000 0.098 0.000 0.884 38 D CB 0.138 40.977 40.800 0.066 0.000 0.915 38 D HN 0.014 8.460 8.370 0.126 0.000 0.526 39 S N -0.319 115.416 115.700 0.059 0.000 2.667 39 S HA 0.266 4.757 4.470 0.035 0.000 0.304 39 S C -0.753 173.875 174.600 0.047 0.000 1.135 39 S CA -0.497 57.726 58.200 0.039 0.000 1.125 39 S CB 0.901 64.113 63.200 0.021 0.000 0.996 39 S HN -0.473 7.840 8.310 0.065 0.035 0.474 40 T N 1.535 116.115 114.554 0.044 0.000 2.862 40 T HA 0.269 4.653 4.350 0.057 0.000 0.276 40 T C -0.590 174.126 174.700 0.026 0.000 0.974 40 T CA -0.868 61.258 62.100 0.043 0.000 0.966 40 T CB 1.299 70.189 68.868 0.038 0.000 1.072 40 T HN 0.033 8.295 8.240 0.038 0.000 0.538 41 D N -0.182 120.232 120.400 0.023 0.000 2.501 41 D HA 0.102 4.749 4.640 0.012 0.000 0.226 41 D C -1.012 175.291 176.300 0.006 0.000 1.198 41 D CA 0.080 54.088 54.000 0.014 0.000 0.830 41 D CB 0.549 41.359 40.800 0.015 0.000 1.014 41 D HN 0.016 8.402 8.370 0.026 0.000 0.496 42 E N 0.555 120.758 120.200 0.004 0.000 2.465 42 E HA -0.089 4.259 4.350 -0.004 0.000 0.260 42 E C -0.071 176.524 176.600 -0.007 0.000 0.980 42 E CA 1.050 57.449 56.400 -0.003 0.000 0.927 42 E CB 0.413 30.111 29.700 -0.003 0.000 0.934 42 E HN -0.243 8.122 8.360 0.008 0.000 0.459 43 T N 1.495 116.040 114.554 -0.014 0.000 2.887 43 T HA 0.379 4.718 4.350 -0.017 0.000 0.288 43 T C -1.816 172.865 174.700 -0.031 0.000 1.021 43 T CA -3.243 58.844 62.100 -0.021 0.000 1.000 43 T CB 1.130 69.984 68.868 -0.023 0.000 1.034 43 T HN -0.271 7.960 8.240 -0.016 0.000 0.467 44 P HA 0.029 4.425 4.420 -0.040 0.000 0.271 44 P C -0.552 176.702 177.300 -0.077 0.000 1.218 44 P CA -0.662 62.410 63.100 -0.046 0.000 0.780 44 P CB 0.147 31.825 31.700 -0.037 0.000 0.901 45 A N 1.621 124.385 122.820 -0.093 0.000 2.540 45 A HA -0.078 4.140 4.320 -0.169 0.000 0.239 45 A C -0.415 177.031 177.584 -0.230 0.000 1.061 45 A CA 0.429 52.368 52.037 -0.163 0.000 0.758 45 A CB 0.055 18.966 19.000 -0.147 0.000 0.991 45 A HN -0.062 8.043 8.150 -0.075 0.000 0.502 46 S N 1.697 117.177 115.700 -0.367 0.000 2.543 46 S HA 0.077 4.363 4.470 -0.306 0.000 0.274 46 S C -1.096 173.202 174.600 -0.503 0.000 1.149 46 S CA -0.155 57.837 58.200 -0.345 0.000 0.866 46 S CB 0.846 63.960 63.200 -0.144 0.000 1.111 46 S HN -0.145 7.917 8.310 -0.414 0.000 0.457 47 Y N 2.427 122.729 120.300 0.003 0.000 2.681 47 Y HA 0.189 4.740 4.550 0.001 0.000 0.267 47 Y C 0.106 176.007 175.900 0.001 0.000 1.166 47 Y CA -0.739 57.362 58.100 0.002 0.000 1.209 47 Y CB -0.147 38.314 38.460 0.002 0.000 1.161 47 Y HN 0.227 8.481 8.280 -0.044 0.000 0.534 48 N N 1.636 120.375 118.700 0.065 0.000 2.223 48 N HA -0.349 4.428 4.740 0.061 0.000 0.185 48 N C 1.094 176.630 175.510 0.044 0.000 1.016 48 N CA 3.358 56.437 53.050 0.048 0.000 0.863 48 N CB 0.295 38.792 38.487 0.017 0.000 0.983 48 N HN -0.456 7.858 8.380 0.009 0.071 0.429 49 L N 0.000 121.247 121.223 0.040 0.000 2.012 49 L HA -0.305 4.050 4.340 0.025 0.000 0.210 49 L C 1.056 177.952 176.870 0.043 0.000 1.073 49 L CA 3.117 57.978 54.840 0.035 0.000 0.748 49 L CB -0.507 41.570 42.059 0.030 0.000 0.891 49 L HN -0.143 8.106 8.230 0.033 0.000 0.431 50 A N -2.832 120.030 122.820 0.069 0.000 1.933 50 A HA -0.394 3.947 4.320 0.035 0.000 0.218 50 A C 2.196 179.803 177.584 0.038 0.000 1.175 50 A CA 2.943 55.012 52.037 0.053 0.000 0.628 50 A CB -1.029 18.014 19.000 0.071 0.000 0.814 50 A HN 0.138 8.348 8.150 0.099 0.000 0.444 51 V N -1.482 118.462 119.914 0.050 0.000 2.270 51 V HA -0.604 3.535 4.120 0.031 0.000 0.245 51 V C 2.357 178.467 176.094 0.026 0.000 1.043 51 V CA 4.197 66.520 62.300 0.038 0.000 1.014 51 V CB -0.305 31.546 31.823 0.046 0.000 0.645 51 V HN -0.657 7.463 8.190 0.066 0.109 0.447 52 R N -1.095 119.421 120.500 0.026 0.000 2.127 52 R HA -0.304 4.047 4.340 0.019 0.000 0.238 52 R C 2.222 178.531 176.300 0.015 0.000 1.134 52 R CA 3.378 59.490 56.100 0.020 0.000 0.975 52 R CB -0.306 30.005 30.300 0.017 0.000 0.865 52 R HN -0.066 8.222 8.270 0.030 0.000 0.447 53 R N -3.825 116.683 120.500 0.014 0.000 2.100 53 R HA -0.108 4.236 4.340 0.006 0.000 0.220 53 R C 0.683 176.984 176.300 0.002 0.000 1.091 53 R CA 2.610 58.714 56.100 0.006 0.000 0.986 53 R CB 0.382 30.684 30.300 0.003 0.000 0.888 53 R HN -0.514 7.747 8.270 0.017 0.019 0.444 54 A N -3.028 119.793 122.820 0.002 0.000 1.944 54 A HA 0.193 4.508 4.320 -0.009 0.000 0.207 54 A C 1.361 178.947 177.584 0.003 0.000 1.265 54 A CA 1.248 53.283 52.037 -0.004 0.000 0.712 54 A CB 0.528 19.521 19.000 -0.012 0.000 0.915 54 A HN -0.529 7.625 8.150 0.007 0.000 0.470 55 A N -0.143 122.682 122.820 0.009 0.000 1.917 55 A HA -0.147 4.180 4.320 0.011 0.000 0.219 55 A C -1.007 176.587 177.584 0.017 0.000 1.182 55 A CA 4.360 56.405 52.037 0.014 0.000 0.633 55 A CB -2.468 16.544 19.000 0.018 0.000 0.819 55 A HN -0.032 8.124 8.150 0.011 0.000 0.448 56 P HA -0.250 4.187 4.420 0.029 0.000 0.219 56 P C -0.196 177.120 177.300 0.026 0.000 1.146 56 P CA 1.966 65.081 63.100 0.025 0.000 0.808 56 P CB -0.368 31.346 31.700 0.023 0.000 0.779 57 A N -5.567 117.264 122.820 0.018 0.000 2.275 57 A HA 0.161 4.493 4.320 0.020 0.000 0.212 57 A C -1.482 176.111 177.584 0.015 0.000 1.201 57 A CA -0.610 51.437 52.037 0.016 0.000 0.843 57 A CB 0.794 19.799 19.000 0.008 0.000 0.873 57 A HN -0.590 7.535 8.150 0.013 0.033 0.492 58 V N 0.279 120.201 119.914 0.014 0.000 2.383 58 V HA 0.529 4.827 4.120 0.004 -0.175 0.275 58 V C -0.439 175.663 176.094 0.014 0.000 1.036 58 V CA -0.273 62.032 62.300 0.008 0.000 0.889 58 V CB 0.885 32.709 31.823 0.002 0.000 0.985 58 V HN -0.665 7.377 8.190 0.015 0.157 0.459 59 V N 0.787 120.706 119.914 0.009 0.000 2.850 59 V HA 0.605 4.838 4.120 0.037 -0.090 0.315 59 V C -1.256 174.825 176.094 -0.021 0.000 1.064 59 V CA -3.541 58.771 62.300 0.019 0.000 0.979 59 V CB 2.835 34.683 31.823 0.041 0.000 1.039 59 V HN 0.530 8.613 8.190 0.001 0.107 0.452 60 N N 1.876 120.565 118.700 -0.018 0.000 2.434 60 N HA 0.254 5.000 4.740 -0.192 -0.121 0.272 60 N C -0.701 174.671 175.510 -0.230 0.000 1.040 60 N CA -1.226 51.733 53.050 -0.150 0.000 0.956 60 N CB 0.703 39.138 38.487 -0.086 0.000 1.108 60 N HN -0.147 8.254 8.380 0.035 0.000 0.481 61 V N 3.352 123.049 119.914 -0.363 0.000 2.435 61 V HA 0.492 4.721 4.120 -0.102 -0.170 0.290 61 V C -1.210 174.621 176.094 -0.438 0.000 1.030 61 V CA -0.930 61.218 62.300 -0.252 0.000 0.881 61 V CB 1.820 33.555 31.823 -0.146 0.000 0.983 61 V HN 0.218 8.070 8.190 -0.376 0.113 0.445 62 Y N 5.538 125.843 120.300 0.008 0.000 2.328 62 Y HA 0.248 4.805 4.550 0.012 0.000 0.336 62 Y C -1.390 174.517 175.900 0.011 0.000 0.960 62 Y CA -1.512 56.596 58.100 0.012 0.000 1.134 62 Y CB 2.378 40.849 38.460 0.018 0.000 1.166 62 Y HN 0.840 9.213 8.280 0.155 0.000 0.464 63 N N 4.504 123.280 118.700 0.127 0.000 2.414 63 N HA 0.220 5.005 4.740 0.075 0.000 0.256 63 N C -1.449 174.120 175.510 0.099 0.000 1.029 63 N CA -0.744 52.357 53.050 0.085 0.000 0.948 63 N CB 1.212 39.727 38.487 0.047 0.000 1.102 63 N HN 0.323 8.766 8.380 0.105 0.000 0.496 64 R N 5.342 125.891 120.500 0.081 0.000 2.494 64 R HA 0.713 5.252 4.340 0.070 -0.158 0.305 64 R C -1.121 175.207 176.300 0.046 0.000 0.959 64 R CA -1.438 54.701 56.100 0.065 0.000 0.864 64 R CB 4.078 34.411 30.300 0.054 0.000 1.159 64 R HN 0.545 8.859 8.270 0.073 0.000 0.446 65 G N 1.264 110.088 108.800 0.040 0.000 2.452 65 G HA2 0.767 4.871 3.960 0.030 0.000 0.324 65 G HA3 0.767 4.746 3.960 0.032 0.000 0.324 65 G C -2.061 172.854 174.900 0.025 0.000 1.214 65 G CA -1.519 43.600 45.100 0.032 0.000 0.947 65 G HN 0.298 8.613 8.290 0.043 0.000 0.478 66 L N -0.205 121.030 121.223 0.020 0.000 2.426 66 L HA 0.155 4.641 4.340 0.014 -0.137 0.271 66 L C -0.683 176.196 176.870 0.015 0.000 1.169 66 L CA -0.047 54.802 54.840 0.015 0.000 0.836 66 L CB 0.309 42.376 42.059 0.013 0.000 1.112 66 L HN -0.180 8.355 8.230 0.020 -0.292 0.465 67 N N 0.950 119.657 118.700 0.013 0.000 2.424 67 N HA 0.257 5.006 4.740 0.014 0.000 0.271 67 N C 0.665 176.181 175.510 0.010 0.000 0.985 67 N CA -1.255 51.803 53.050 0.012 0.000 0.921 67 N CB 2.018 40.512 38.487 0.012 0.000 1.149 67 N HN -0.368 8.018 8.380 0.011 0.000 0.492 68 T N 4.269 118.829 114.554 0.010 0.000 2.867 68 T HA -0.122 4.233 4.350 0.008 0.000 0.268 68 T C 1.287 175.991 174.700 0.007 0.000 1.057 68 T CA 2.094 64.199 62.100 0.008 0.000 1.136 68 T CB -0.099 68.774 68.868 0.009 0.000 0.874 68 T HN 0.480 8.727 8.240 0.011 0.000 0.466 69 N N 0.296 119.000 118.700 0.008 0.000 2.244 69 N HA -0.053 4.690 4.740 0.006 0.000 0.183 69 N C -0.115 175.398 175.510 0.005 0.000 1.016 69 N CA 1.591 54.645 53.050 0.007 0.000 0.866 69 N CB 0.518 39.009 38.487 0.007 0.000 0.980 69 N HN -0.556 8.006 8.380 0.009 -0.176 0.430 70 S N -1.886 113.817 115.700 0.005 0.000 2.130 70 S HA 0.139 4.611 4.470 0.003 0.000 0.165 70 S C -0.928 173.673 174.600 0.003 0.000 1.677 70 S CA -0.944 57.258 58.200 0.004 0.000 1.227 70 S CB -0.624 62.578 63.200 0.004 0.000 1.115 70 S HN -0.528 7.785 8.310 0.006 0.000 0.452 71 H N 3.012 122.083 119.070 0.003 0.000 2.861 71 H HA -0.300 4.258 4.556 0.002 0.000 0.289 71 H C -0.832 174.497 175.328 0.002 0.000 1.176 71 H CA 0.787 56.836 56.048 0.002 0.000 1.146 71 H CB -2.415 27.348 29.762 0.000 0.000 1.330 71 H HN 0.665 8.947 8.280 0.003 0.000 0.379 72 N N -5.532 113.170 118.700 0.004 0.000 2.721 72 N HA -0.476 4.432 4.740 0.006 -0.164 0.249 72 N C -1.092 174.420 175.510 0.004 0.000 1.072 72 N CA 1.253 54.306 53.050 0.005 0.000 0.710 72 N CB -1.579 36.911 38.487 0.005 0.000 0.993 72 N HN 0.165 8.525 8.380 0.005 0.022 0.547 73 Q N -2.809 116.993 119.800 0.003 0.000 2.286 73 Q HA 0.057 4.397 4.340 -0.000 0.000 0.257 73 Q C -0.014 175.988 176.000 0.004 0.000 0.941 73 Q CA -0.161 55.643 55.803 0.001 0.000 0.912 73 Q CB 1.157 29.895 28.738 -0.001 0.000 1.192 73 Q HN -0.715 7.548 8.270 0.004 0.009 0.410 74 L N 4.407 125.631 121.223 0.002 0.000 2.410 74 L HA -0.120 4.227 4.340 0.011 0.000 0.273 74 L C 0.025 176.897 176.870 0.004 0.000 1.152 74 L CA 0.424 55.267 54.840 0.006 0.000 0.855 74 L CB 0.012 42.074 42.059 0.004 0.000 1.129 74 L HN 0.405 8.635 8.230 -0.001 0.000 0.463 75 E N 3.580 123.788 120.200 0.014 0.000 2.393 75 E HA 0.341 4.695 4.350 0.008 0.000 0.273 75 E C -1.558 175.064 176.600 0.036 0.000 0.918 75 E CA -2.430 53.980 56.400 0.017 0.000 0.773 75 E CB 3.238 32.949 29.700 0.018 0.000 1.275 75 E HN 0.134 8.505 8.360 0.019 0.000 0.451 76 I N 1.392 121.990 120.570 0.047 0.000 2.533 76 I HA -0.100 4.277 4.170 0.101 -0.146 0.284 76 I C 0.661 176.829 176.117 0.086 0.000 1.109 76 I CA 1.434 62.788 61.300 0.090 0.000 1.412 76 I CB 0.217 38.294 38.000 0.129 0.000 1.396 76 I HN 0.489 8.721 8.210 0.037 0.000 0.543 77 R N 6.625 127.179 120.500 0.089 0.000 2.221 77 R HA 0.253 4.637 4.340 0.073 0.000 0.195 77 R C 0.324 176.682 176.300 0.097 0.000 0.956 77 R CA 0.029 56.176 56.100 0.079 0.000 1.064 77 R CB 1.577 31.916 30.300 0.064 0.000 1.049 77 R HN 0.570 8.896 8.270 0.093 0.000 0.534 78 T N 0.348 114.963 114.554 0.103 0.000 2.900 78 T HA 0.403 4.837 4.350 0.141 0.000 0.303 78 T C -2.821 171.924 174.700 0.076 0.000 1.142 78 T CA -1.057 61.105 62.100 0.103 0.000 1.007 78 T CB 3.654 72.564 68.868 0.070 0.000 1.156 78 T HN -0.661 7.640 8.240 0.101 0.000 0.490 79 L N -1.556 119.688 121.223 0.035 0.000 2.393 79 L HA 0.976 5.363 4.340 -0.149 -0.137 0.260 79 L C -1.324 175.426 176.870 -0.200 0.000 1.002 79 L CA -1.482 53.294 54.840 -0.107 0.000 0.818 79 L CB 3.609 45.612 42.059 -0.093 0.000 1.369 79 L HN 0.105 8.379 8.230 0.073 0.000 0.412 80 G N -0.749 107.885 108.800 -0.277 0.000 2.772 80 G HA2 0.382 4.334 3.960 -0.252 0.000 0.284 80 G HA3 0.382 4.197 3.960 -0.243 0.000 0.284 80 G C -2.152 172.606 174.900 -0.237 0.000 1.217 80 G CA 0.117 45.066 45.100 -0.252 0.000 0.831 80 G HN 0.433 8.518 8.290 -0.342 0.000 0.523 81 S N -0.842 114.752 115.700 -0.176 0.000 2.667 81 S HA 0.999 5.539 4.470 -0.140 -0.154 0.292 81 S C -1.004 173.539 174.600 -0.096 0.000 1.126 81 S CA -1.567 56.556 58.200 -0.128 0.000 0.881 81 S CB 4.168 67.313 63.200 -0.092 0.000 1.132 81 S HN 0.091 8.299 8.310 -0.169 0.000 0.492 82 G N -1.955 106.809 108.800 -0.060 0.000 2.684 82 G HA2 0.810 5.014 3.960 -0.037 0.000 0.290 82 G HA3 0.810 4.750 3.960 -0.033 0.000 0.290 82 G C -3.164 171.728 174.900 -0.014 0.000 1.425 82 G CA -0.113 44.965 45.100 -0.036 0.000 0.822 82 G HN 0.030 8.289 8.290 -0.052 0.000 0.482 83 V N 0.222 120.135 119.914 -0.002 0.000 2.483 83 V HA 0.443 4.711 4.120 0.005 -0.145 0.297 83 V C -0.848 175.255 176.094 0.015 0.000 1.027 83 V CA -1.495 60.810 62.300 0.007 0.000 0.855 83 V CB 3.279 35.109 31.823 0.012 0.000 0.995 83 V HN 0.378 8.569 8.190 0.000 0.000 0.424 84 I N 7.825 128.403 120.570 0.012 0.000 2.436 84 I HA -0.104 4.202 4.170 0.015 -0.127 0.289 84 I C -0.062 176.069 176.117 0.023 0.000 1.083 84 I CA 1.319 62.627 61.300 0.013 0.000 1.372 84 I CB -0.182 37.819 38.000 0.001 0.000 1.408 84 I HN 0.665 8.881 8.210 0.010 0.000 0.516 85 M N 5.434 125.060 119.600 0.043 0.000 2.534 85 M HA 0.076 4.576 4.480 0.033 0.000 0.263 85 M C -0.011 176.317 176.300 0.047 0.000 1.152 85 M CA -0.576 54.752 55.300 0.046 0.000 1.145 85 M CB 0.377 33.011 32.600 0.056 0.000 1.333 85 M HN 0.365 8.690 8.290 0.058 0.000 0.477 86 D N -5.342 115.097 120.400 0.066 0.000 2.643 86 D HA 0.123 4.786 4.640 0.039 0.000 0.283 86 D C -0.012 176.317 176.300 0.047 0.000 1.242 86 D CA -0.912 53.124 54.000 0.059 0.000 0.863 86 D CB 0.902 41.747 40.800 0.075 0.000 1.382 86 D HN -0.873 7.545 8.370 0.079 0.000 0.444 87 Q N -1.953 117.867 119.800 0.033 0.000 2.291 87 Q HA -0.227 4.110 4.340 -0.005 0.000 0.206 87 Q C 1.424 177.419 176.000 -0.008 0.000 0.976 87 Q CA 2.534 58.342 55.803 0.008 0.000 0.875 87 Q CB -0.285 28.459 28.738 0.009 0.000 0.927 87 Q HN 0.345 8.636 8.270 0.035 0.000 0.450 88 R N -3.919 116.601 120.500 0.033 0.000 2.237 88 R HA -0.301 4.024 4.340 -0.024 0.000 0.219 88 R C 0.380 176.582 176.300 -0.163 0.000 1.080 88 R CA 1.635 57.734 56.100 -0.001 0.000 0.995 88 R CB 0.652 31.052 30.300 0.168 0.000 0.875 88 R HN -0.227 8.333 8.270 0.083 -0.241 0.462 89 G N -4.365 104.350 108.800 -0.142 0.000 2.138 89 G HA2 -0.347 3.496 3.960 -0.195 0.000 0.193 89 G HA3 -0.347 3.568 3.960 -0.322 -0.149 0.193 89 G C -0.912 173.819 174.900 -0.281 0.000 0.998 89 G CA -0.486 44.466 45.100 -0.246 0.000 0.668 89 G HN -0.364 7.866 8.290 -0.045 0.033 0.516 90 Y N 0.449 120.714 120.300 -0.060 0.000 2.319 90 Y HA 0.274 4.985 4.550 -0.045 -0.188 0.328 90 Y C -0.818 175.060 175.900 -0.037 0.000 1.133 90 Y CA 1.145 59.219 58.100 -0.043 0.000 1.265 90 Y CB 0.963 39.405 38.460 -0.030 0.000 1.218 90 Y HN -1.004 7.333 8.280 0.096 0.000 0.508 91 I N 0.963 121.600 120.570 0.112 0.000 2.582 91 I HA 0.588 4.979 4.170 0.047 -0.193 0.292 91 I C -1.025 175.123 176.117 0.052 0.000 1.066 91 I CA -1.543 59.788 61.300 0.051 0.000 1.053 91 I CB 4.178 42.183 38.000 0.007 0.000 1.241 91 I HN 0.216 8.504 8.210 0.129 0.000 0.421 92 I N 6.300 126.891 120.570 0.035 0.000 2.428 92 I HA 0.648 4.992 4.170 0.026 -0.159 0.296 92 I C -0.765 175.352 176.117 0.000 0.000 0.985 92 I CA -0.893 60.420 61.300 0.023 0.000 1.260 92 I CB 2.334 40.350 38.000 0.027 0.000 1.389 92 I HN 0.486 8.716 8.210 0.033 0.000 0.484 93 T N 4.715 119.261 114.554 -0.014 0.000 2.731 93 T HA 0.389 4.709 4.350 -0.050 0.000 0.300 93 T C -1.979 172.682 174.700 -0.065 0.000 1.283 93 T CA -2.545 59.526 62.100 -0.049 0.000 1.005 93 T CB 1.587 70.414 68.868 -0.068 0.000 1.420 93 T HN 0.296 8.531 8.240 -0.009 0.000 0.503 94 N N 0.726 119.345 118.700 -0.136 0.000 2.518 94 N HA 0.252 5.116 4.740 -0.071 -0.166 0.283 94 N C 0.861 176.252 175.510 -0.198 0.000 1.119 94 N CA 0.446 53.389 53.050 -0.178 0.000 0.983 94 N CB 1.096 39.358 38.487 -0.375 0.000 1.139 94 N HN 0.445 8.721 8.380 -0.173 0.000 0.465 95 K N 5.404 125.759 120.400 -0.075 0.000 2.057 95 K HA -0.340 3.960 4.320 -0.034 0.000 0.207 95 K C 1.440 178.020 176.600 -0.033 0.000 1.049 95 K CA 3.131 59.401 56.287 -0.027 0.000 0.931 95 K CB 0.068 32.588 32.500 0.034 0.000 0.714 95 K HN 0.179 8.401 8.250 -0.012 0.020 0.440 96 H N -4.210 114.860 119.070 0.000 0.000 2.545 96 H HA -0.104 4.455 4.556 0.005 0.000 0.282 96 H C 0.973 176.295 175.328 -0.011 0.000 1.020 96 H CA 2.247 58.294 56.048 -0.001 0.000 1.243 96 H CB -0.333 29.430 29.762 0.001 0.000 1.377 96 H HN -0.522 7.973 8.280 0.038 -0.191 0.581 97 V N -1.598 118.066 119.914 -0.416 0.000 2.488 97 V HA -0.214 3.790 4.120 -0.193 0.000 0.246 97 V C 0.621 176.653 176.094 -0.104 0.000 1.046 97 V CA 1.995 64.138 62.300 -0.261 0.000 1.053 97 V CB 0.537 32.170 31.823 -0.317 0.000 0.679 97 V HN -0.702 7.003 8.190 -0.560 0.149 0.458 98 I N -8.749 111.772 120.570 -0.082 0.000 3.904 98 I HA 0.130 4.289 4.170 -0.019 0.000 0.333 98 I C -0.695 175.422 176.117 0.000 0.000 1.361 98 I CA -1.621 59.661 61.300 -0.029 0.000 1.116 98 I CB -0.141 37.842 38.000 -0.027 0.000 1.028 98 I HN -0.856 7.292 8.210 -0.102 0.000 0.398 99 N N 3.661 122.368 118.700 0.012 0.000 2.452 99 N HA -0.149 4.606 4.740 0.025 0.000 0.266 99 N C -0.403 175.125 175.510 0.031 0.000 1.209 99 N CA 1.733 54.800 53.050 0.029 0.000 0.929 99 N CB -0.324 38.192 38.487 0.049 0.000 1.063 99 N HN -0.569 7.817 8.380 0.010 0.000 0.472 100 D N -3.257 117.160 120.400 0.027 0.000 3.017 100 D HA -0.354 4.301 4.640 0.025 0.000 0.220 100 D C -1.543 174.774 176.300 0.028 0.000 1.141 100 D CA 1.088 55.104 54.000 0.027 0.000 0.848 100 D CB -1.349 39.469 40.800 0.030 0.000 1.102 100 D HN 0.292 8.677 8.370 0.025 0.000 0.427 101 A N -2.329 120.507 122.820 0.027 0.000 2.409 101 A HA -0.106 4.371 4.320 0.035 -0.137 0.262 101 A C 0.481 178.081 177.584 0.028 0.000 1.113 101 A CA -0.246 51.809 52.037 0.031 0.000 0.790 101 A CB 0.829 19.848 19.000 0.031 0.000 1.046 101 A HN -0.791 7.348 8.150 0.025 0.025 0.496 102 D N 2.383 122.801 120.400 0.029 0.000 2.213 102 D HA -0.039 4.614 4.640 0.023 0.000 0.205 102 D C 0.094 176.410 176.300 0.027 0.000 0.961 102 D CA 1.957 55.972 54.000 0.025 0.000 0.853 102 D CB 0.881 41.695 40.800 0.023 0.000 0.967 102 D HN 0.025 8.413 8.370 0.031 0.000 0.496 103 Q N -1.971 117.849 119.800 0.033 0.000 2.268 103 Q HA 0.222 4.582 4.340 0.034 0.000 0.266 103 Q C -2.456 173.575 176.000 0.051 0.000 1.006 103 Q CA -0.314 55.511 55.803 0.037 0.000 0.824 103 Q CB 3.441 32.198 28.738 0.032 0.000 1.306 103 Q HN -0.418 7.874 8.270 0.037 0.000 0.424 104 I N 6.836 127.437 120.570 0.053 0.000 2.321 104 I HA 0.572 4.968 4.170 0.076 -0.181 0.291 104 I C -1.260 174.911 176.117 0.090 0.000 0.998 104 I CA -0.949 60.391 61.300 0.066 0.000 1.227 104 I CB 1.366 39.393 38.000 0.045 0.000 1.368 104 I HN 0.590 8.827 8.210 0.046 0.000 0.466 105 I N 7.363 128.014 120.570 0.136 0.000 2.412 105 I HA 0.585 4.978 4.170 0.134 -0.142 0.296 105 I C -1.228 175.020 176.117 0.218 0.000 0.987 105 I CA -2.824 58.576 61.300 0.168 0.000 1.180 105 I CB 1.826 39.920 38.000 0.157 0.000 1.340 105 I HN 0.593 8.902 8.210 0.163 0.000 0.455 106 V N 6.607 126.643 119.914 0.203 0.000 2.444 106 V HA 0.476 4.867 4.120 0.172 -0.167 0.294 106 V C -2.263 173.968 176.094 0.229 0.000 1.022 106 V CA -1.870 60.548 62.300 0.198 0.000 0.850 106 V CB 3.431 35.351 31.823 0.161 0.000 0.992 106 V HN 0.539 8.848 8.190 0.198 0.000 0.426 107 A N 7.578 130.529 122.820 0.219 0.000 2.304 107 A HA 0.761 5.313 4.320 0.141 -0.148 0.314 107 A C -1.737 175.932 177.584 0.142 0.000 1.187 107 A CA -2.208 49.937 52.037 0.180 0.000 0.810 107 A CB 2.625 21.764 19.000 0.231 0.000 1.183 107 A HN 0.645 8.922 8.150 0.211 0.000 0.487 108 L N 2.510 123.813 121.223 0.132 0.000 2.439 108 L HA 0.134 4.535 4.340 0.102 0.000 0.259 108 L C 1.869 178.784 176.870 0.075 0.000 1.129 108 L CA -0.482 54.425 54.840 0.111 0.000 0.803 108 L CB 1.226 43.372 42.059 0.144 0.000 1.161 108 L HN 0.186 8.493 8.230 0.129 0.000 0.462 109 Q N 1.995 121.832 119.800 0.062 0.000 2.369 109 Q HA -0.261 4.109 4.340 0.049 0.000 0.206 109 Q C 0.553 176.577 176.000 0.040 0.000 0.963 109 Q CA 2.461 58.293 55.803 0.047 0.000 0.894 109 Q CB -0.619 28.143 28.738 0.040 0.000 0.965 109 Q HN 0.900 9.206 8.270 0.061 0.000 0.475 110 D N -4.821 115.605 120.400 0.043 0.000 2.349 110 D HA -0.077 4.580 4.640 0.028 0.000 0.224 110 D C 0.762 177.073 176.300 0.019 0.000 1.029 110 D CA -0.417 53.602 54.000 0.033 0.000 0.879 110 D CB -0.772 40.052 40.800 0.040 0.000 0.906 110 D HN -0.431 7.941 8.370 0.054 0.031 0.528 111 G N -0.491 108.319 108.800 0.017 0.000 2.218 111 G HA2 -0.414 3.544 3.960 -0.003 0.000 0.216 111 G HA3 -0.414 3.538 3.960 -0.013 0.000 0.216 111 G C -0.355 174.515 174.900 -0.049 0.000 0.994 111 G CA -0.315 44.780 45.100 -0.009 0.000 0.637 111 G HN -0.552 7.706 8.290 0.029 0.049 0.505 112 R N 0.942 121.410 120.500 -0.053 0.000 2.643 112 R HA -0.023 4.167 4.340 -0.250 0.000 0.270 112 R C -1.263 174.886 176.300 -0.250 0.000 1.061 112 R CA 0.676 56.660 56.100 -0.194 0.000 1.107 112 R CB 1.104 31.331 30.300 -0.122 0.000 0.999 112 R HN -0.215 8.364 8.270 -0.006 -0.312 0.460 113 V N 1.745 121.366 119.914 -0.489 0.000 2.638 113 V HA 0.759 4.969 4.120 -0.141 -0.175 0.306 113 V C -0.513 175.238 176.094 -0.572 0.000 1.052 113 V CA -1.472 60.630 62.300 -0.330 0.000 0.885 113 V CB 2.796 34.517 31.823 -0.172 0.000 0.999 113 V HN 0.018 7.845 8.190 -0.606 0.000 0.424 114 F N 5.630 125.590 119.950 0.016 0.000 2.588 114 F HA 0.414 4.941 4.527 -0.000 0.000 0.314 114 F C -1.729 174.077 175.800 0.011 0.000 1.069 114 F CA -1.355 56.649 58.000 0.006 0.000 0.931 114 F CB 4.518 43.517 39.000 -0.003 0.000 1.260 114 F HN 0.572 8.962 8.300 0.151 0.000 0.465 115 E N 1.567 121.888 120.200 0.202 0.000 2.259 115 E HA 0.333 4.886 4.350 0.108 -0.139 0.281 115 E C -1.047 175.616 176.600 0.105 0.000 1.027 115 E CA -0.874 55.599 56.400 0.121 0.000 0.838 115 E CB 1.591 31.336 29.700 0.075 0.000 1.066 115 E HN 0.286 8.767 8.360 0.202 0.000 0.401 116 A N 5.962 128.826 122.820 0.073 0.000 2.312 116 A HA 0.524 4.994 4.320 0.006 -0.146 0.328 116 A C -1.828 175.765 177.584 0.014 0.000 1.158 116 A CA -1.492 50.562 52.037 0.028 0.000 0.821 116 A CB 2.418 21.434 19.000 0.027 0.000 1.170 116 A HN 0.403 8.599 8.150 0.077 0.000 0.490 117 L N 0.504 121.722 121.223 -0.009 0.000 2.309 117 L HA 0.329 4.674 4.340 0.008 0.000 0.282 117 L C -0.893 175.980 176.870 0.006 0.000 1.036 117 L CA -1.250 53.589 54.840 -0.002 0.000 0.806 117 L CB 2.391 44.443 42.059 -0.011 0.000 1.220 117 L HN 0.068 8.280 8.230 -0.031 0.000 0.429 118 L N 4.566 125.798 121.223 0.015 0.000 2.433 118 L HA -0.059 4.295 4.340 0.023 0.000 0.275 118 L C -0.134 176.756 176.870 0.033 0.000 1.128 118 L CA 0.680 55.534 54.840 0.022 0.000 0.875 118 L CB 0.000 42.071 42.059 0.019 0.000 1.171 118 L HN 0.261 8.500 8.230 0.016 0.000 0.463 119 V N 6.567 126.512 119.914 0.052 0.000 2.446 119 V HA 0.031 4.193 4.120 0.070 0.000 0.244 119 V C -0.445 175.677 176.094 0.047 0.000 1.039 119 V CA 1.535 63.879 62.300 0.073 0.000 1.045 119 V CB 0.673 32.582 31.823 0.143 0.000 0.681 119 V HN 0.621 8.844 8.190 0.056 0.000 0.459 120 G N -5.347 103.475 108.800 0.036 0.000 2.356 120 G HA2 0.173 4.144 3.960 0.019 0.000 0.294 120 G HA3 0.173 4.143 3.960 0.017 0.000 0.294 120 G C -3.486 171.423 174.900 0.015 0.000 1.423 120 G CA 0.164 45.276 45.100 0.021 0.000 0.806 120 G HN -0.820 7.494 8.290 0.039 0.000 0.527 121 S N -1.484 114.222 115.700 0.010 0.000 2.579 121 S HA 0.644 5.241 4.470 0.007 -0.123 0.272 121 S C -1.941 172.662 174.600 0.005 0.000 1.141 121 S CA -1.218 56.987 58.200 0.008 0.000 0.843 121 S CB 3.280 66.486 63.200 0.011 0.000 1.122 121 S HN 0.233 8.548 8.310 0.008 0.000 0.468 122 D N -0.296 120.107 120.400 0.005 0.000 2.542 122 D HA 0.429 5.068 4.640 -0.002 0.000 0.252 122 D C 0.206 176.510 176.300 0.007 0.000 1.222 122 D CA -0.937 53.062 54.000 -0.000 0.000 0.895 122 D CB 2.802 43.596 40.800 -0.010 0.000 1.207 122 D HN 0.144 8.519 8.370 0.007 0.000 0.558 123 S N 5.228 120.933 115.700 0.007 0.000 2.436 123 S HA -0.118 4.369 4.470 0.028 0.000 0.228 123 S C 0.875 175.479 174.600 0.006 0.000 1.014 123 S CA 2.326 60.535 58.200 0.015 0.000 0.950 123 S CB -0.052 63.156 63.200 0.013 0.000 0.784 123 S HN 0.362 8.674 8.310 0.004 0.000 0.504 124 L N 2.326 123.543 121.223 -0.010 0.000 2.131 124 L HA -0.177 4.147 4.340 -0.026 0.000 0.210 124 L C 1.076 177.923 176.870 -0.039 0.000 1.092 124 L CA 2.438 57.262 54.840 -0.028 0.000 0.759 124 L CB 0.578 42.614 42.059 -0.038 0.000 0.903 124 L HN -0.053 8.147 8.230 -0.012 0.023 0.435 125 T N -7.426 107.111 114.554 -0.028 0.000 3.010 125 T HA -0.026 4.283 4.350 -0.068 0.000 0.257 125 T C 0.514 175.227 174.700 0.022 0.000 1.020 125 T CA -0.948 61.132 62.100 -0.034 0.000 0.938 125 T CB 1.375 70.215 68.868 -0.047 0.000 1.049 125 T HN -0.758 7.568 8.240 -0.018 -0.097 0.522 126 D N 0.667 121.092 120.400 0.041 0.000 2.870 126 D HA -0.259 4.460 4.640 0.084 -0.028 0.228 126 D C -1.405 174.936 176.300 0.069 0.000 1.147 126 D CA 1.433 55.485 54.000 0.087 0.000 0.757 126 D CB -0.788 40.105 40.800 0.155 0.000 1.091 126 D HN -0.201 8.073 8.370 0.028 0.112 0.429 127 L N -2.669 118.574 121.223 0.033 0.000 2.334 127 L HA 0.508 4.986 4.340 0.017 -0.128 0.275 127 L C -1.980 174.894 176.870 0.006 0.000 1.036 127 L CA -0.943 53.907 54.840 0.017 0.000 0.807 127 L CB 2.746 44.812 42.059 0.011 0.000 1.231 127 L HN -0.786 7.433 8.230 0.023 0.024 0.438 128 A N 0.385 123.204 122.820 -0.002 0.000 2.475 128 A HA 0.760 5.197 4.320 0.005 -0.114 0.301 128 A C -2.375 175.215 177.584 0.010 0.000 1.059 128 A CA -1.609 50.428 52.037 0.000 0.000 0.710 128 A CB 3.920 22.913 19.000 -0.012 0.000 1.288 128 A HN 0.707 8.853 8.150 -0.007 0.000 0.408 129 V N 0.878 120.808 119.914 0.026 0.000 2.555 129 V HA 0.849 5.186 4.120 0.053 -0.185 0.302 129 V C -1.060 175.075 176.094 0.067 0.000 1.038 129 V CA -1.833 60.501 62.300 0.056 0.000 0.887 129 V CB 2.463 34.328 31.823 0.070 0.000 0.991 129 V HN 0.177 8.382 8.190 0.025 0.000 0.434 130 L N 5.069 126.333 121.223 0.068 0.000 2.286 130 L HA 0.910 5.433 4.340 0.030 -0.165 0.265 130 L C -1.346 175.527 176.870 0.004 0.000 1.012 130 L CA -2.101 52.758 54.840 0.032 0.000 0.818 130 L CB 3.397 45.459 42.059 0.006 0.000 1.337 130 L HN 0.757 9.030 8.230 0.072 0.000 0.438 131 K N 0.481 120.833 120.400 -0.080 0.000 2.507 131 K HA 0.587 4.869 4.320 -0.353 -0.174 0.251 131 K C -1.459 175.012 176.600 -0.215 0.000 0.943 131 K CA -1.392 54.744 56.287 -0.251 0.000 0.794 131 K CB 2.575 34.884 32.500 -0.317 0.000 1.188 131 K HN 0.038 8.253 8.250 -0.057 0.000 0.428 132 I N 0.548 120.946 120.570 -0.286 0.000 2.910 132 I HA 0.516 4.567 4.170 -0.199 0.000 0.310 132 I C -2.032 173.875 176.117 -0.349 0.000 1.043 132 I CA -2.178 58.941 61.300 -0.301 0.000 1.053 132 I CB 3.025 40.756 38.000 -0.448 0.000 1.242 132 I HN 0.095 8.104 8.210 -0.335 0.000 0.452 133 N N 2.559 121.082 118.700 -0.295 0.000 2.564 133 N HA 0.219 4.823 4.740 -0.226 0.000 0.248 133 N C -1.539 173.849 175.510 -0.203 0.000 0.986 133 N CA -0.916 52.008 53.050 -0.210 0.000 0.921 133 N CB 0.633 39.067 38.487 -0.088 0.000 1.136 133 N HN 0.244 8.483 8.380 -0.234 0.000 0.509 134 A N 4.285 126.950 122.820 -0.258 0.000 2.355 134 A HA 0.422 4.787 4.320 0.076 0.000 0.324 134 A C 0.070 177.651 177.584 -0.006 0.000 1.117 134 A CA -0.971 50.991 52.037 -0.125 0.000 0.785 134 A CB 2.018 20.838 19.000 -0.300 0.000 1.254 134 A HN 0.046 8.039 8.150 -0.262 0.000 0.453 135 T N 0.506 115.108 114.554 0.081 0.000 2.852 135 T HA -0.101 4.267 4.350 0.030 0.000 0.256 135 T C 0.971 175.695 174.700 0.040 0.000 1.038 135 T CA 0.383 62.514 62.100 0.052 0.000 1.141 135 T CB 0.224 69.131 68.868 0.065 0.000 0.869 135 T HN 0.061 8.392 8.240 0.153 0.000 0.439 136 G N 1.304 110.142 108.800 0.063 0.000 2.563 136 G HA2 0.021 4.002 3.960 0.036 0.000 0.283 136 G HA3 0.021 4.017 3.960 0.061 0.000 0.283 136 G C -0.748 174.170 174.900 0.030 0.000 1.309 136 G CA -0.827 44.302 45.100 0.048 0.000 1.022 136 G HN -0.566 7.783 8.290 0.098 0.000 0.501 137 G N -1.801 107.014 108.800 0.025 0.000 2.442 137 G HA2 0.075 4.037 3.960 0.003 0.000 0.249 137 G HA3 0.075 4.043 3.960 0.014 0.000 0.249 137 G C -1.286 173.624 174.900 0.016 0.000 1.263 137 G CA -0.359 44.748 45.100 0.013 0.000 0.846 137 G HN -0.025 8.281 8.290 0.027 0.000 0.555 138 L N 3.960 125.181 121.223 -0.004 0.000 2.307 138 L HA 0.387 4.735 4.340 0.014 0.000 0.282 138 L C -1.690 175.184 176.870 0.005 0.000 1.051 138 L CA -2.685 52.152 54.840 -0.006 0.000 0.804 138 L CB 0.957 42.985 42.059 -0.052 0.000 1.197 138 L HN -0.451 7.990 8.230 -0.014 -0.219 0.431 139 P HA 0.100 4.528 4.420 0.014 0.000 0.276 139 P C -1.500 175.806 177.300 0.009 0.000 1.230 139 P CA -0.456 62.654 63.100 0.015 0.000 0.776 139 P CB 0.268 31.982 31.700 0.024 0.000 0.888 140 T N -2.234 112.325 114.554 0.007 0.000 2.924 140 T HA 0.142 4.618 4.350 0.007 -0.122 0.291 140 T C -0.175 174.525 174.700 0.001 0.000 1.045 140 T CA -2.646 59.458 62.100 0.006 0.000 1.015 140 T CB 3.210 72.082 68.868 0.008 0.000 1.103 140 T HN -0.295 7.949 8.240 0.007 0.000 0.496 141 I N 2.270 122.839 120.570 -0.001 0.000 2.496 141 I HA 0.168 4.330 4.170 -0.013 0.000 0.285 141 I C -2.103 173.998 176.117 -0.027 0.000 1.080 141 I CA -2.829 58.463 61.300 -0.013 0.000 1.404 141 I CB 1.309 39.302 38.000 -0.013 0.000 1.403 141 I HN -0.233 7.979 8.210 0.003 0.000 0.539 142 P HA 0.041 4.437 4.420 -0.040 0.000 0.267 142 P C -1.813 175.430 177.300 -0.095 0.000 1.205 142 P CA -0.212 62.856 63.100 -0.054 0.000 0.765 142 P CB 0.522 32.190 31.700 -0.052 0.000 0.828 143 I N 2.204 122.719 120.570 -0.091 0.000 2.478 143 I HA 0.152 4.174 4.170 -0.246 0.000 0.287 143 I C -1.303 174.746 176.117 -0.113 0.000 1.042 143 I CA -0.438 60.778 61.300 -0.140 0.000 1.067 143 I CB 3.239 41.208 38.000 -0.053 0.000 1.233 143 I HN -0.102 8.071 8.210 -0.062 0.000 0.431 144 N N 7.723 126.308 118.700 -0.190 0.000 2.609 144 N HA 0.122 4.839 4.740 -0.038 0.000 0.234 144 N C 0.255 175.770 175.510 0.009 0.000 1.001 144 N CA -1.506 51.492 53.050 -0.086 0.000 0.926 144 N CB 0.066 38.498 38.487 -0.091 0.000 1.130 144 N HN 0.250 8.433 8.380 -0.328 0.000 0.510 145 A N 5.549 128.435 122.820 0.110 0.000 2.125 145 A HA -0.136 4.461 4.320 0.462 0.000 0.219 145 A C 0.915 178.618 177.584 0.199 0.000 1.156 145 A CA 2.216 54.397 52.037 0.241 0.000 0.671 145 A CB -0.012 19.072 19.000 0.141 0.000 0.794 145 A HN 0.768 8.962 8.150 0.073 0.000 0.459 146 R N -4.802 115.770 120.500 0.120 0.000 2.334 146 R HA 0.092 4.484 4.340 0.086 0.000 0.216 146 R C -0.242 176.113 176.300 0.092 0.000 0.905 146 R CA -0.433 55.720 56.100 0.089 0.000 1.064 146 R CB 0.896 31.227 30.300 0.053 0.000 1.046 146 R HN -0.533 7.996 8.270 0.088 -0.207 0.508 147 R N 1.805 122.370 120.500 0.108 0.000 2.401 147 R HA -0.129 4.236 4.340 0.042 0.000 0.299 147 R C -0.765 175.598 176.300 0.105 0.000 1.064 147 R CA 0.173 56.314 56.100 0.068 0.000 1.000 147 R CB -0.011 30.282 30.300 -0.011 0.000 0.973 147 R HN -0.614 7.699 8.270 0.115 0.027 0.438 148 V N 7.971 127.873 119.914 -0.020 0.000 2.333 148 V HA 0.266 4.362 4.120 -0.040 0.000 0.274 148 V C -1.315 174.542 176.094 -0.396 0.000 1.028 148 V CA -3.157 59.056 62.300 -0.144 0.000 0.851 148 V CB 1.075 32.798 31.823 -0.167 0.000 1.000 148 V HN 0.097 8.268 8.190 -0.032 0.000 0.456 149 P HA 0.074 4.412 4.420 -0.137 0.000 0.268 149 P C -1.638 175.480 177.300 -0.303 0.000 1.204 149 P CA -0.393 62.605 63.100 -0.170 0.000 0.768 149 P CB 0.690 32.399 31.700 0.015 0.000 0.842 150 H N 2.593 121.691 119.070 0.047 0.000 2.572 150 H HA 0.242 4.820 4.556 0.036 0.000 0.359 150 H C -0.088 175.257 175.328 0.028 0.000 1.134 150 H CA -1.779 54.290 56.048 0.035 0.000 1.187 150 H CB 3.878 33.657 29.762 0.028 0.000 1.597 150 H HN -0.030 8.524 8.280 -0.002 -0.275 0.524 151 I N 2.619 123.287 120.570 0.163 0.000 2.662 151 I HA -0.618 3.711 4.170 0.074 -0.114 0.285 151 I C 1.170 177.332 176.117 0.076 0.000 1.161 151 I CA 2.234 63.590 61.300 0.092 0.000 1.415 151 I CB -0.849 37.194 38.000 0.072 0.000 1.385 151 I HN 0.605 8.921 8.210 0.178 0.000 0.552 152 G N 7.050 115.880 108.800 0.051 0.000 2.218 152 G HA2 -0.352 3.622 3.960 0.024 0.000 0.216 152 G HA3 -0.352 3.630 3.960 0.038 0.000 0.216 152 G C -0.467 174.453 174.900 0.034 0.000 0.994 152 G CA -0.608 44.513 45.100 0.036 0.000 0.637 152 G HN 0.479 8.794 8.290 0.042 0.000 0.505 153 D N 2.455 122.884 120.400 0.048 0.000 2.455 153 D HA -0.034 4.630 4.640 0.040 0.000 0.241 153 D C 0.011 176.300 176.300 -0.017 0.000 1.138 153 D CA 1.233 55.252 54.000 0.032 0.000 0.877 153 D CB 0.586 41.411 40.800 0.042 0.000 1.187 153 D HN -0.359 7.995 8.370 0.065 0.055 0.451 154 V N 2.577 122.463 119.914 -0.046 0.000 2.585 154 V HA -0.044 4.152 4.120 -0.136 -0.159 0.296 154 V C -0.111 175.885 176.094 -0.163 0.000 1.035 154 V CA 1.053 63.268 62.300 -0.142 0.000 1.084 154 V CB 0.023 31.705 31.823 -0.236 0.000 0.953 154 V HN 0.249 8.425 8.190 -0.024 0.000 0.483 155 V N 0.735 120.547 119.914 -0.171 0.000 2.962 155 V HA 1.017 5.230 4.120 -0.134 -0.174 0.313 155 V C -1.489 174.509 176.094 -0.160 0.000 1.099 155 V CA -3.410 58.807 62.300 -0.138 0.000 0.971 155 V CB 3.885 35.663 31.823 -0.075 0.000 1.028 155 V HN 0.203 8.184 8.190 -0.167 0.109 0.430 156 L N 0.492 121.643 121.223 -0.121 0.000 2.341 156 L HA 0.885 5.372 4.340 -0.098 -0.206 0.278 156 L C -0.989 175.851 176.870 -0.051 0.000 1.005 156 L CA -2.190 52.596 54.840 -0.089 0.000 0.818 156 L CB 2.917 44.934 42.059 -0.070 0.000 1.259 156 L HN 0.472 8.640 8.230 -0.103 0.000 0.418 157 A N 3.078 125.875 122.820 -0.038 0.000 2.290 157 A HA 0.775 5.241 4.320 -0.022 -0.160 0.310 157 A C -1.378 176.198 177.584 -0.014 0.000 1.202 157 A CA -1.744 50.279 52.037 -0.024 0.000 0.837 157 A CB 2.014 21.000 19.000 -0.023 0.000 1.139 157 A HN 0.485 8.612 8.150 -0.039 0.000 0.509 158 I N 2.796 123.359 120.570 -0.011 0.000 2.447 158 I HA 0.751 5.106 4.170 -0.002 -0.186 0.287 158 I C -0.707 175.402 176.117 -0.012 0.000 1.023 158 I CA -1.459 59.837 61.300 -0.007 0.000 1.083 158 I CB 2.257 40.254 38.000 -0.004 0.000 1.245 158 I HN 0.330 8.533 8.210 -0.012 0.000 0.434 159 G N 4.904 113.697 108.800 -0.012 0.000 2.490 159 G HA2 0.204 4.143 3.960 -0.034 0.000 0.308 159 G HA3 0.204 4.142 3.960 -0.037 0.000 0.308 159 G C -3.355 171.531 174.900 -0.022 0.000 1.286 159 G CA 0.609 45.692 45.100 -0.028 0.000 0.825 159 G HN -0.242 8.045 8.290 -0.004 0.000 0.479 160 N N 0.301 118.973 118.700 -0.046 0.000 2.886 160 N HA 0.655 5.397 4.740 0.004 0.000 0.285 160 N C -1.955 173.539 175.510 -0.027 0.000 1.706 160 N CA -3.766 49.267 53.050 -0.028 0.000 0.904 160 N CB 1.873 40.324 38.487 -0.060 0.000 1.224 160 N HN -0.112 8.225 8.380 -0.072 0.000 0.488 161 P HA 0.071 4.618 4.420 -0.143 -0.213 0.267 161 P C 0.074 177.440 177.300 0.110 0.000 1.205 161 P CA 0.326 63.410 63.100 -0.026 0.000 0.765 161 P CB -0.036 31.701 31.700 0.062 0.000 0.828 162 Y N -0.185 120.188 120.300 0.122 0.000 4.538 162 Y HA -0.509 4.123 4.550 0.137 0.000 0.225 162 Y C -1.051 174.903 175.900 0.090 0.000 1.074 162 Y CA 1.421 59.586 58.100 0.108 0.000 1.942 162 Y CB -2.138 36.361 38.460 0.065 0.000 1.618 162 Y HN 0.397 8.516 8.280 -0.268 0.000 0.642 163 N N -3.139 115.667 118.700 0.176 0.000 2.747 163 N HA -0.338 4.600 4.740 0.135 -0.117 0.249 163 N C 0.313 175.914 175.510 0.152 0.000 1.107 163 N CA 1.148 54.296 53.050 0.163 0.000 0.707 163 N CB -0.840 37.767 38.487 0.201 0.000 1.054 163 N HN -0.441 7.961 8.380 0.119 0.049 0.555 164 L N -1.973 119.336 121.223 0.144 0.000 2.478 164 L HA -0.087 4.315 4.340 0.103 0.000 0.223 164 L C 0.858 177.781 176.870 0.088 0.000 1.140 164 L CA 0.990 55.897 54.840 0.112 0.000 0.842 164 L CB 0.207 42.334 42.059 0.113 0.000 0.953 164 L HN -0.589 7.713 8.230 0.158 0.023 0.452 165 G N -2.835 106.019 108.800 0.091 0.000 2.619 165 G HA2 -0.313 3.691 3.960 0.084 0.000 0.686 165 G HA3 -0.313 3.688 3.960 0.068 0.000 0.686 165 G C -2.180 172.754 174.900 0.057 0.000 1.256 165 G CA -0.959 44.186 45.100 0.075 0.000 0.826 165 G HN -0.473 8.093 8.290 0.098 -0.216 0.619 166 Q N 1.899 121.727 119.800 0.046 0.000 2.283 166 Q HA -0.142 4.420 4.340 0.024 -0.208 0.301 166 Q C -0.227 175.793 176.000 0.034 0.000 1.063 166 Q CA 1.442 57.264 55.803 0.032 0.000 0.952 166 Q CB 0.538 29.293 28.738 0.029 0.000 1.166 166 Q HN 0.359 8.659 8.270 0.049 0.000 0.381 167 T N 9.064 123.636 114.554 0.029 0.000 2.848 167 T HA 0.251 4.622 4.350 0.036 0.000 0.285 167 T C -1.850 172.864 174.700 0.024 0.000 0.995 167 T CA -0.788 61.332 62.100 0.033 0.000 0.970 167 T CB 1.954 70.849 68.868 0.044 0.000 0.976 167 T HN 0.637 8.891 8.240 0.022 0.000 0.441 168 I N 4.897 125.483 120.570 0.026 0.000 2.354 168 I HA 0.775 5.157 4.170 0.013 -0.204 0.292 168 I C 0.149 176.278 176.117 0.020 0.000 0.989 168 I CA -2.440 58.872 61.300 0.020 0.000 1.188 168 I CB 0.715 38.732 38.000 0.028 0.000 1.342 168 I HN 0.332 8.560 8.210 0.030 0.000 0.457 169 T N 4.445 119.003 114.554 0.006 0.000 2.924 169 T HA 0.369 4.726 4.350 0.012 0.000 0.291 169 T C -1.850 172.836 174.700 -0.024 0.000 1.045 169 T CA -2.049 60.051 62.100 0.001 0.000 1.015 169 T CB 2.484 71.352 68.868 0.001 0.000 1.103 169 T HN 0.104 8.343 8.240 -0.001 0.000 0.496 170 Q N 4.658 124.441 119.800 -0.028 0.000 2.353 170 Q HA 0.735 5.175 4.340 -0.109 -0.166 0.268 170 Q C -1.059 174.900 176.000 -0.069 0.000 1.045 170 Q CA -1.098 54.660 55.803 -0.075 0.000 0.811 170 Q CB 3.438 32.134 28.738 -0.069 0.000 1.305 170 Q HN 0.063 8.326 8.270 -0.012 0.000 0.447 171 G N 4.437 113.178 108.800 -0.098 0.000 2.772 171 G HA2 0.729 4.654 3.960 -0.059 0.000 0.284 171 G HA3 0.729 4.836 3.960 -0.065 -0.186 0.284 171 G C -2.609 172.239 174.900 -0.087 0.000 1.217 171 G CA 0.077 45.133 45.100 -0.074 0.000 0.831 171 G HN 0.409 8.623 8.290 -0.126 0.000 0.523 172 I N -5.934 114.600 120.570 -0.060 0.000 3.174 172 I HA 0.990 5.313 4.170 -0.059 -0.188 0.313 172 I C -0.971 175.126 176.117 -0.032 0.000 1.155 172 I CA -2.610 58.662 61.300 -0.047 0.000 0.977 172 I CB 4.553 42.538 38.000 -0.026 0.000 1.248 172 I HN 0.463 8.941 8.210 -0.053 -0.299 0.453 173 I N 1.277 121.840 120.570 -0.012 0.000 2.436 173 I HA -0.017 4.265 4.170 -0.003 -0.114 0.289 173 I C 0.440 176.563 176.117 0.010 0.000 1.083 173 I CA 0.819 62.122 61.300 0.005 0.000 1.372 173 I CB -0.695 37.322 38.000 0.028 0.000 1.408 173 I HN 0.066 8.272 8.210 -0.007 0.000 0.516 174 S N 9.165 124.864 115.700 -0.002 0.000 2.478 174 S HA -0.016 4.456 4.470 0.003 0.000 0.222 174 S C -0.895 173.721 174.600 0.026 0.000 1.008 174 S CA 1.172 59.372 58.200 0.001 0.000 0.928 174 S CB 0.587 63.770 63.200 -0.028 0.000 0.781 174 S HN 0.664 8.859 8.310 -0.015 0.107 0.518 175 A N -2.232 120.615 122.820 0.043 0.000 2.590 175 A HA 0.307 4.664 4.320 0.062 0.000 0.294 175 A C -2.451 175.184 177.584 0.085 0.000 1.046 175 A CA 0.373 52.450 52.037 0.068 0.000 0.684 175 A CB 1.791 20.840 19.000 0.082 0.000 1.279 175 A HN -0.888 7.286 8.150 0.041 0.000 0.415 176 T N -3.090 111.513 114.554 0.082 0.000 3.228 176 T HA 0.077 4.479 4.350 0.087 0.000 0.278 176 T C -0.371 174.374 174.700 0.075 0.000 1.014 176 T CA -0.891 61.256 62.100 0.078 0.000 0.904 176 T CB 0.185 69.087 68.868 0.058 0.000 1.110 176 T HN 0.356 8.641 8.240 0.075 0.000 0.541 177 G N 0.962 109.819 108.800 0.095 0.000 2.347 177 G HA2 -0.136 3.974 3.960 0.102 0.000 0.477 177 G HA3 -0.136 3.900 3.960 0.048 -0.048 0.477 177 G C -1.735 173.205 174.900 0.066 0.000 1.349 177 G CA -0.490 44.657 45.100 0.078 0.000 1.000 177 G HN -0.592 7.706 8.290 0.111 0.059 0.605 178 R N -0.488 120.040 120.500 0.046 0.000 2.628 178 R HA 0.427 4.790 4.340 0.039 0.000 0.288 178 R C -0.683 175.625 176.300 0.013 0.000 0.980 178 R CA -2.010 54.111 56.100 0.035 0.000 0.891 178 R CB 2.085 32.408 30.300 0.039 0.000 1.188 178 R HN -0.054 8.132 8.270 0.033 0.104 0.450 179 I N 1.391 121.968 120.570 0.012 0.000 2.277 179 I HA -0.070 4.098 4.170 -0.002 0.000 0.243 179 I C 1.185 177.301 176.117 -0.002 0.000 1.094 179 I CA 0.693 61.995 61.300 0.003 0.000 1.393 179 I CB -0.297 37.706 38.000 0.005 0.000 1.078 179 I HN 0.390 8.610 8.210 0.016 0.000 0.417 180 G N -1.373 107.428 108.800 0.002 0.000 2.504 180 G HA2 0.103 4.060 3.960 -0.005 0.000 0.288 180 G HA3 0.103 4.063 3.960 0.001 0.000 0.288 180 G C -1.304 173.593 174.900 -0.006 0.000 1.182 180 G CA -0.740 44.358 45.100 -0.002 0.000 0.894 180 G HN -0.526 7.768 8.290 0.007 0.000 0.521 181 L N -0.576 120.641 121.223 -0.010 0.000 2.453 181 L HA -0.105 4.222 4.340 -0.020 0.000 0.272 181 L C -0.155 176.705 176.870 -0.016 0.000 1.182 181 L CA 0.622 55.452 54.840 -0.017 0.000 0.858 181 L CB -0.275 41.773 42.059 -0.017 0.000 1.120 181 L HN 0.069 8.293 8.230 -0.010 0.000 0.474 182 N N 3.480 122.164 118.700 -0.026 0.000 2.853 182 N HA 0.350 5.075 4.740 -0.026 0.000 0.258 182 N C -1.745 173.728 175.510 -0.062 0.000 1.444 182 N CA -1.163 51.867 53.050 -0.033 0.000 0.837 182 N CB 0.264 38.739 38.487 -0.021 0.000 1.489 182 N HN -0.275 8.087 8.380 -0.031 0.000 0.529 183 P HA -0.080 4.279 4.420 -0.101 0.000 0.222 183 P C -0.060 177.128 177.300 -0.187 0.000 1.147 183 P CA 1.816 64.837 63.100 -0.132 0.000 0.790 183 P CB 0.136 31.732 31.700 -0.172 0.000 0.780 184 T N -6.417 108.012 114.554 -0.209 0.000 2.951 184 T HA -0.170 3.977 4.350 -0.338 0.000 0.268 184 T C 1.282 175.919 174.700 -0.106 0.000 1.073 184 T CA 0.698 62.647 62.100 -0.252 0.000 1.134 184 T CB 0.429 69.104 68.868 -0.322 0.000 0.884 184 T HN -0.143 8.306 8.240 -0.180 -0.317 0.479 185 G N 1.464 110.218 108.800 -0.076 0.000 2.159 185 G HA2 -0.370 3.560 3.960 -0.051 0.000 0.256 185 G HA3 -0.370 3.559 3.960 -0.053 0.000 0.256 185 G C -0.665 174.205 174.900 -0.051 0.000 0.977 185 G CA 0.057 45.125 45.100 -0.054 0.000 0.652 185 G HN -0.344 7.778 8.290 -0.078 0.121 0.531 186 R N -2.502 117.974 120.500 -0.040 0.000 2.888 186 R HA 0.315 4.592 4.340 -0.105 0.000 0.264 186 R C -1.599 174.663 176.300 -0.063 0.000 1.045 186 R CA -1.961 54.084 56.100 -0.091 0.000 0.962 186 R CB 2.129 32.294 30.300 -0.224 0.000 1.210 186 R HN -0.634 7.573 8.270 -0.019 0.052 0.479 187 Q N -2.929 116.809 119.800 -0.104 0.000 2.185 187 Q HA 0.161 4.487 4.340 -0.024 0.000 0.234 187 Q C -0.192 175.774 176.000 -0.057 0.000 0.819 187 Q CA 0.550 56.319 55.803 -0.057 0.000 0.961 187 Q CB 1.443 30.146 28.738 -0.058 0.000 1.140 187 Q HN 0.436 8.613 8.270 -0.154 0.000 0.492 188 N N -2.467 116.157 118.700 -0.127 0.000 2.197 188 N HA 0.041 4.750 4.740 -0.051 0.000 0.228 188 N C -1.428 174.042 175.510 -0.066 0.000 1.212 188 N CA -1.062 51.922 53.050 -0.109 0.000 0.883 188 N CB -0.567 37.827 38.487 -0.156 0.000 1.107 188 N HN -0.114 8.137 8.380 -0.215 0.000 0.519 189 F N 0.371 120.326 119.950 0.008 0.000 2.529 189 F HA -0.132 4.554 4.527 0.063 -0.122 0.365 189 F C 0.062 175.930 175.800 0.114 0.000 1.102 189 F CA 0.962 59.004 58.000 0.070 0.000 1.271 189 F CB 0.375 39.426 39.000 0.086 0.000 1.120 189 F HN -0.692 7.631 8.300 0.038 0.000 0.579 190 L N 2.789 124.226 121.223 0.357 0.000 2.319 190 L HA 0.046 4.649 4.340 0.186 -0.152 0.280 190 L C -0.664 176.342 176.870 0.225 0.000 1.099 190 L CA -0.597 54.380 54.840 0.228 0.000 0.828 190 L CB 0.069 42.222 42.059 0.158 0.000 1.150 190 L HN 0.038 8.487 8.230 0.364 0.000 0.442 191 Q N 5.528 125.412 119.800 0.140 0.000 2.230 191 Q HA 0.773 5.204 4.340 -0.184 -0.201 0.253 191 Q C -0.820 175.125 176.000 -0.092 0.000 0.919 191 Q CA -1.248 54.524 55.803 -0.051 0.000 0.908 191 Q CB 2.984 31.705 28.738 -0.027 0.000 1.245 191 Q HN 0.047 8.400 8.270 0.138 0.000 0.437 192 T N 4.312 118.755 114.554 -0.185 0.000 2.894 192 T HA 0.672 5.118 4.350 -0.084 -0.147 0.309 192 T C -1.668 172.945 174.700 -0.145 0.000 1.208 192 T CA -2.688 59.340 62.100 -0.120 0.000 1.016 192 T CB 1.563 70.383 68.868 -0.079 0.000 1.192 192 T HN 0.549 8.608 8.240 -0.302 0.000 0.491 193 D N 4.215 124.558 120.400 -0.095 0.000 2.395 193 D HA 0.240 4.893 4.640 -0.100 -0.072 0.213 193 D C -0.085 176.177 176.300 -0.063 0.000 1.110 193 D CA -1.655 52.296 54.000 -0.082 0.000 0.835 193 D CB -0.035 40.730 40.800 -0.058 0.000 0.965 193 D HN -0.040 8.285 8.370 -0.076 0.000 0.505 194 A N 1.345 124.126 122.820 -0.065 0.000 2.524 194 A HA -0.151 4.294 4.320 -0.045 -0.152 0.250 194 A C -0.596 176.962 177.584 -0.044 0.000 1.078 194 A CA 0.831 52.837 52.037 -0.052 0.000 0.761 194 A CB 0.329 19.296 19.000 -0.056 0.000 1.012 194 A HN -0.743 7.320 8.150 -0.070 0.044 0.500 195 S N 2.815 118.499 115.700 -0.026 0.000 2.546 195 S HA -0.122 4.337 4.470 -0.020 0.000 0.290 195 S C -0.570 174.025 174.600 -0.008 0.000 1.262 195 S CA 0.712 58.905 58.200 -0.012 0.000 1.083 195 S CB 0.350 63.554 63.200 0.007 0.000 0.859 195 S HN 0.151 8.449 8.310 -0.020 0.000 0.495 196 I N 5.942 126.505 120.570 -0.011 0.000 2.465 196 I HA 0.026 4.315 4.170 -0.010 -0.125 0.291 196 I C -1.045 175.075 176.117 0.005 0.000 1.014 196 I CA -0.458 60.835 61.300 -0.011 0.000 1.093 196 I CB 2.975 40.959 38.000 -0.028 0.000 1.267 196 I HN 0.139 8.339 8.210 -0.016 0.000 0.431 197 N N 5.464 124.159 118.700 -0.007 0.000 2.629 197 N HA 0.343 5.094 4.740 0.018 0.000 0.279 197 N C -1.590 173.837 175.510 -0.138 0.000 1.344 197 N CA -1.520 51.515 53.050 -0.024 0.000 0.789 197 N CB 4.011 42.534 38.487 0.060 0.000 1.508 197 N HN 0.085 8.765 8.380 -0.022 -0.312 0.516 198 H N 0.596 119.448 119.070 -0.364 0.000 3.125 198 H HA -0.267 4.167 4.556 -0.203 0.000 0.310 198 H C 0.622 175.696 175.328 -0.424 0.000 0.980 198 H CA 2.861 58.679 56.048 -0.383 0.000 1.422 198 H CB 0.610 30.098 29.762 -0.456 0.000 1.432 198 H HN 0.475 8.640 8.280 -0.191 0.000 0.577 199 G N 6.600 115.105 108.800 -0.492 0.000 2.259 199 G HA2 -0.441 3.488 3.960 -0.319 0.000 0.217 199 G HA3 -0.441 3.541 3.960 -0.204 -0.144 0.217 199 G C -0.838 173.943 174.900 -0.198 0.000 1.001 199 G CA -0.090 44.835 45.100 -0.291 0.000 0.627 199 G HN 0.615 8.524 8.290 -0.634 0.000 0.501 203 G N 1.036 109.817 108.800 -0.033 0.000 2.588 203 G HA2 0.384 4.329 3.960 -0.025 0.000 0.281 203 G HA3 0.384 4.473 3.960 -0.028 -0.146 0.281 203 G C -2.327 172.572 174.900 -0.002 0.000 1.236 203 G CA -0.947 44.140 45.100 -0.023 0.000 0.969 203 G HN -0.483 7.785 8.290 -0.038 0.000 0.504 204 A N -1.987 120.831 122.820 -0.003 0.000 2.306 204 A HA 0.577 5.033 4.320 0.014 -0.128 0.314 204 A C -2.096 175.488 177.584 -0.001 0.000 1.164 204 A CA -1.651 50.388 52.037 0.003 0.000 0.822 204 A CB 2.575 21.572 19.000 -0.005 0.000 1.130 204 A HN -0.195 7.950 8.150 -0.008 0.000 0.496 205 L N 4.198 125.425 121.223 0.007 0.000 2.305 205 L HA 0.943 5.486 4.340 -0.015 -0.212 0.284 205 L C -1.607 175.251 176.870 -0.021 0.000 1.013 205 L CA -1.267 53.570 54.840 -0.004 0.000 0.819 205 L CB 3.100 45.168 42.059 0.015 0.000 1.227 205 L HN 0.092 8.334 8.230 0.020 0.000 0.417 206 V N 1.050 120.940 119.914 -0.041 0.000 3.001 206 V HA 0.988 5.219 4.120 -0.074 -0.157 0.314 206 V C -1.391 174.663 176.094 -0.068 0.000 1.099 206 V CA -3.853 58.411 62.300 -0.061 0.000 0.989 206 V CB 3.733 35.524 31.823 -0.054 0.000 1.040 206 V HN 0.583 8.748 8.190 -0.042 0.000 0.434 207 N N 0.768 119.424 118.700 -0.073 0.000 2.431 207 N HA 0.461 5.328 4.740 -0.077 -0.173 0.289 207 N C 1.975 177.455 175.510 -0.049 0.000 1.277 207 N CA -1.462 51.549 53.050 -0.065 0.000 0.972 207 N CB 0.756 39.214 38.487 -0.049 0.000 1.143 207 N HN -0.144 8.186 8.380 -0.084 0.000 0.578 208 S N -0.907 114.778 115.700 -0.025 0.000 2.507 208 S HA -0.164 4.341 4.470 0.058 0.000 0.235 208 S C 0.681 175.325 174.600 0.072 0.000 0.988 208 S CA 2.292 60.527 58.200 0.058 0.000 0.944 208 S CB -0.708 62.581 63.200 0.147 0.000 0.762 208 S HN 0.374 8.670 8.310 -0.023 0.000 0.526 209 L N -2.530 118.708 121.223 0.024 0.000 2.585 209 L HA 0.200 4.557 4.340 0.028 0.000 0.226 209 L C 0.640 177.507 176.870 -0.005 0.000 1.113 209 L CA -0.139 54.709 54.840 0.013 0.000 0.876 209 L CB 0.147 42.205 42.059 -0.002 0.000 1.072 209 L HN -0.582 7.846 8.230 0.004 -0.196 0.468 210 G N -2.174 106.617 108.800 -0.015 0.000 2.175 210 G HA2 -0.463 3.484 3.960 -0.022 0.000 0.244 210 G HA3 -0.463 3.487 3.960 -0.017 0.000 0.244 210 G C -0.457 174.406 174.900 -0.062 0.000 0.982 210 G CA -0.086 44.998 45.100 -0.027 0.000 0.641 210 G HN -0.275 7.906 8.290 -0.015 0.099 0.527 211 E N 0.083 120.229 120.200 -0.090 0.000 2.338 211 E HA -0.176 4.222 4.350 -0.155 -0.140 0.272 211 E C -0.651 175.821 176.600 -0.213 0.000 1.029 211 E CA -0.421 55.883 56.400 -0.160 0.000 0.872 211 E CB 0.835 30.425 29.700 -0.184 0.000 1.015 211 E HN -0.619 7.871 8.360 -0.077 -0.176 0.417 212 L N 5.007 126.064 121.223 -0.277 0.000 2.477 212 L HA -0.206 4.045 4.340 -0.148 0.000 0.272 212 L C -0.829 175.801 176.870 -0.399 0.000 1.157 212 L CA 1.341 56.028 54.840 -0.256 0.000 0.889 212 L CB 0.242 42.191 42.059 -0.184 0.000 1.158 212 L HN -0.048 8.014 8.230 -0.280 0.000 0.473 213 M N 4.145 123.670 119.600 -0.124 0.000 2.657 213 M HA 0.177 4.689 4.480 0.053 0.000 0.262 213 M C 0.042 176.491 176.300 0.249 0.000 1.213 213 M CA 0.203 55.535 55.300 0.053 0.000 1.182 213 M CB 1.866 34.485 32.600 0.032 0.000 1.303 213 M HN 0.639 8.888 8.290 -0.069 0.000 0.501 214 G N -4.284 104.607 108.800 0.151 0.000 2.495 214 G HA2 0.321 4.498 3.960 0.207 0.000 0.294 214 G HA3 0.321 4.380 3.960 0.156 -0.005 0.294 214 G C -2.961 172.005 174.900 0.110 0.000 1.397 214 G CA 0.402 45.600 45.100 0.163 0.000 0.790 214 G HN -0.580 7.761 8.290 0.086 0.000 0.486 215 I N -0.932 119.706 120.570 0.113 0.000 2.330 215 I HA 0.574 4.953 4.170 0.064 -0.170 0.289 215 I C -0.665 175.512 176.117 0.100 0.000 1.001 215 I CA -3.537 57.815 61.300 0.086 0.000 1.193 215 I CB 0.256 38.303 38.000 0.077 0.000 1.345 215 I HN 0.147 8.435 8.210 0.129 0.000 0.461 216 N N 8.532 127.273 118.700 0.068 0.000 2.483 216 N HA -0.019 4.897 4.740 0.084 -0.125 0.264 216 N C -0.060 175.501 175.510 0.086 0.000 1.197 216 N CA 1.303 54.393 53.050 0.067 0.000 0.927 216 N CB 0.408 38.910 38.487 0.025 0.000 1.065 216 N HN 0.209 8.617 8.380 0.047 0.000 0.461 217 T N 3.736 118.362 114.554 0.120 0.000 3.254 217 T HA 0.348 5.017 4.350 0.183 -0.210 0.267 217 T C -0.430 174.348 174.700 0.129 0.000 0.946 217 T CA 0.485 62.686 62.100 0.168 0.000 0.991 217 T CB 2.328 71.343 68.868 0.245 0.000 1.205 217 T HN 0.227 8.535 8.240 0.113 0.000 0.494 218 L N 0.604 121.876 121.223 0.082 0.000 2.350 218 L HA 0.346 4.711 4.340 0.043 0.000 0.260 218 L C -2.118 174.825 176.870 0.122 0.000 1.015 218 L CA -0.890 53.991 54.840 0.069 0.000 0.821 218 L CB 4.214 46.261 42.059 -0.020 0.000 1.370 218 L HN -0.737 7.544 8.230 0.086 0.000 0.416 219 S N -0.517 115.260 115.700 0.128 0.000 2.538 219 S HA 0.337 4.859 4.470 0.087 0.000 0.288 219 S C -1.467 173.288 174.600 0.258 0.000 1.108 219 S CA -1.031 57.248 58.200 0.130 0.000 0.971 219 S CB 2.635 65.873 63.200 0.063 0.000 1.041 219 S HN 0.023 8.397 8.310 0.106 0.000 0.483 220 F N 6.184 126.186 119.950 0.086 0.000 2.434 220 F HA -0.029 4.563 4.527 0.108 0.000 0.358 220 F C -1.446 174.377 175.800 0.038 0.000 1.136 220 F CA -1.014 57.044 58.000 0.097 0.000 1.157 220 F CB 0.093 39.173 39.000 0.133 0.000 1.167 220 F HN -0.058 8.430 8.300 0.313 0.000 0.539 221 D N 5.271 125.698 120.400 0.046 0.000 2.454 221 D HA 0.114 4.693 4.640 -0.101 0.000 0.219 221 D C -1.102 175.093 176.300 -0.176 0.000 1.081 221 D CA 0.667 54.620 54.000 -0.077 0.000 0.867 221 D CB 2.341 43.156 40.800 0.024 0.000 1.054 221 D HN 0.149 8.645 8.370 0.209 0.000 0.500 222 K N -2.345 117.936 120.400 -0.199 0.000 2.464 222 K HA 0.281 4.492 4.320 -0.181 0.000 0.253 222 K C -1.717 174.758 176.600 -0.208 0.000 0.933 222 K CA -1.133 55.056 56.287 -0.163 0.000 0.801 222 K CB 2.408 34.891 32.500 -0.028 0.000 1.271 222 K HN -0.552 7.625 8.250 -0.122 0.000 0.430 228 T N 6.265 120.760 114.554 -0.098 0.000 2.729 228 T HA 0.304 4.561 4.350 -0.154 0.000 0.296 228 T C -1.793 172.816 174.700 -0.151 0.000 0.928 228 T CA -1.753 60.272 62.100 -0.124 0.000 1.045 228 T CB 0.496 69.318 68.868 -0.078 0.000 0.902 228 T HN 0.028 8.224 8.240 -0.074 0.000 0.500 229 P HA 0.061 4.373 4.420 -0.181 0.000 0.271 229 P C -1.842 175.385 177.300 -0.122 0.000 1.218 229 P CA -0.344 62.615 63.100 -0.234 0.000 0.780 229 P CB 0.755 32.164 31.700 -0.485 0.000 0.901 230 E N 1.457 121.615 120.200 -0.070 0.000 2.246 230 E HA 0.039 4.362 4.350 -0.045 0.000 0.266 230 E C 0.225 176.804 176.600 -0.036 0.000 0.880 230 E CA -0.644 55.729 56.400 -0.045 0.000 0.762 230 E CB 1.252 30.931 29.700 -0.034 0.000 1.180 230 E HN 0.112 8.438 8.360 -0.058 0.000 0.416 231 G N 3.424 112.200 108.800 -0.041 0.000 2.176 231 G HA2 -0.390 3.536 3.960 -0.055 0.000 0.252 231 G HA3 -0.390 3.543 3.960 -0.045 0.000 0.252 231 G C -1.254 173.593 174.900 -0.087 0.000 1.024 231 G CA 0.337 45.405 45.100 -0.054 0.000 0.755 231 G HN 0.631 8.898 8.290 -0.038 0.000 0.507 232 I N 0.481 120.993 120.570 -0.098 0.000 2.390 232 I HA 0.116 4.128 4.170 -0.263 0.000 0.283 232 I C -1.863 174.043 176.117 -0.352 0.000 1.016 232 I CA -0.741 60.439 61.300 -0.200 0.000 1.151 232 I CB 0.540 38.530 38.000 -0.018 0.000 1.293 232 I HN -0.365 7.805 8.210 -0.067 0.000 0.458 233 G N 5.119 113.578 108.800 -0.569 0.000 2.642 233 G HA2 0.826 4.623 3.960 -0.440 0.000 0.293 233 G HA3 0.826 4.607 3.960 -0.298 0.000 0.293 233 G C -2.702 171.704 174.900 -0.824 0.000 1.341 233 G CA -1.107 43.669 45.100 -0.538 0.000 0.916 233 G HN 0.106 8.067 8.290 -0.549 0.000 0.474 234 F N -1.812 118.041 119.950 -0.161 0.000 2.565 234 F HA 0.957 5.606 4.527 -0.158 -0.216 0.313 234 F C -1.954 173.794 175.800 -0.087 0.000 1.091 234 F CA -1.890 55.960 58.000 -0.250 0.000 0.915 234 F CB 4.858 43.383 39.000 -0.792 0.000 1.208 234 F HN -0.013 8.229 8.300 -0.096 0.000 0.453 235 A N 0.082 123.062 122.820 0.267 0.000 2.454 235 A HA 0.838 5.447 4.320 0.242 -0.143 0.302 235 A C -1.884 175.938 177.584 0.397 0.000 1.079 235 A CA -2.404 49.796 52.037 0.271 0.000 0.731 235 A CB 3.951 23.046 19.000 0.158 0.000 1.299 235 A HN 0.838 9.176 8.150 0.313 0.000 0.413 236 I N 0.665 121.409 120.570 0.290 0.000 2.533 236 I HA 0.223 4.470 4.170 0.129 0.000 0.284 236 I C -1.402 174.785 176.117 0.116 0.000 1.109 236 I CA -3.824 57.574 61.300 0.163 0.000 1.412 236 I CB -0.703 37.353 38.000 0.094 0.000 1.396 236 I HN 0.069 8.430 8.210 0.251 0.000 0.543 237 P HA 0.074 4.689 4.420 0.108 -0.131 0.266 237 P C 1.199 178.502 177.300 0.006 0.000 1.195 237 P CA -0.296 62.825 63.100 0.034 0.000 0.768 237 P CB 0.159 31.817 31.700 -0.071 0.000 0.838 238 F N 1.912 121.861 119.950 -0.001 0.000 2.269 238 F HA -0.366 4.160 4.527 -0.003 0.000 0.301 238 F C 1.201 176.992 175.800 -0.016 0.000 1.082 238 F CA 3.492 61.487 58.000 -0.007 0.000 1.360 238 F CB -0.829 38.166 39.000 -0.009 0.000 1.041 238 F HN -0.295 8.217 8.300 0.353 0.000 0.512 239 Q N -0.089 119.214 119.800 -0.828 0.000 2.050 239 Q HA -0.367 3.666 4.340 -0.512 0.000 0.202 239 Q C 2.044 177.896 176.000 -0.248 0.000 0.980 239 Q CA 3.402 58.857 55.803 -0.580 0.000 0.840 239 Q CB -1.020 27.347 28.738 -0.617 0.000 0.898 239 Q HN 0.054 7.651 8.270 -1.086 0.021 0.424 240 L N -1.016 120.086 121.223 -0.202 0.000 2.141 240 L HA -0.226 4.041 4.340 -0.122 0.000 0.209 240 L C 1.161 177.985 176.870 -0.075 0.000 1.094 240 L CA 2.455 57.220 54.840 -0.125 0.000 0.763 240 L CB -0.602 41.383 42.059 -0.123 0.000 0.908 240 L HN -0.700 7.393 8.230 -0.228 0.000 0.437 241 A N -2.218 120.576 122.820 -0.043 0.000 1.969 241 A HA -0.258 4.058 4.320 -0.007 0.000 0.218 241 A C 2.106 179.692 177.584 0.002 0.000 1.169 241 A CA 3.166 55.203 52.037 -0.000 0.000 0.635 241 A CB -0.801 18.227 19.000 0.046 0.000 0.810 241 A HN -0.336 7.787 8.150 -0.045 0.000 0.445 242 T N 0.453 115.009 114.554 0.003 0.000 2.896 242 T HA -0.358 4.002 4.350 0.016 0.000 0.263 242 T C 1.884 176.568 174.700 -0.028 0.000 1.050 242 T CA 4.811 66.915 62.100 0.007 0.000 1.140 242 T CB -0.126 68.765 68.868 0.039 0.000 0.877 242 T HN -0.335 7.901 8.240 -0.007 0.000 0.457 243 K N 1.786 122.157 120.400 -0.047 0.000 2.057 243 K HA -0.271 4.018 4.320 -0.051 0.000 0.206 243 K C 2.402 178.972 176.600 -0.051 0.000 1.050 243 K CA 3.567 59.821 56.287 -0.054 0.000 0.935 243 K CB -0.188 32.272 32.500 -0.067 0.000 0.715 243 K HN -0.672 7.543 8.250 -0.058 0.000 0.439 244 I N -0.698 119.844 120.570 -0.047 0.000 2.252 244 I HA -0.385 3.759 4.170 -0.043 0.000 0.245 244 I C 1.701 177.794 176.117 -0.040 0.000 1.102 244 I CA 2.578 63.854 61.300 -0.041 0.000 1.385 244 I CB -0.704 37.276 38.000 -0.035 0.000 1.064 244 I HN -0.356 7.825 8.210 -0.047 0.000 0.414 245 M N 0.927 120.504 119.600 -0.038 0.000 2.065 245 M HA -0.543 3.914 4.480 -0.039 0.000 0.259 245 M C 1.494 177.741 176.300 -0.089 0.000 1.069 245 M CA 4.515 59.785 55.300 -0.049 0.000 1.110 245 M CB -0.224 32.354 32.600 -0.037 0.000 1.328 245 M HN -0.496 7.775 8.290 -0.031 0.000 0.405 246 D N -1.100 119.247 120.400 -0.088 0.000 2.123 246 D HA -0.364 4.187 4.640 -0.149 0.000 0.196 246 D C 2.448 178.692 176.300 -0.094 0.000 0.992 246 D CA 3.492 57.427 54.000 -0.108 0.000 0.833 246 D CB -0.727 40.025 40.800 -0.080 0.000 0.954 246 D HN -0.443 7.885 8.370 -0.070 0.000 0.455 247 K N 0.385 120.744 120.400 -0.068 0.000 2.026 247 K HA -0.291 3.998 4.320 -0.053 0.000 0.208 247 K C 2.181 178.749 176.600 -0.052 0.000 1.048 247 K CA 3.258 59.513 56.287 -0.055 0.000 0.929 247 K CB -0.071 32.403 32.500 -0.044 0.000 0.713 247 K HN -0.768 7.439 8.250 -0.062 0.005 0.439 248 L N -2.311 118.881 121.223 -0.052 0.000 2.156 248 L HA -0.261 4.063 4.340 -0.026 0.000 0.208 248 L C 2.497 179.339 176.870 -0.046 0.000 1.095 248 L CA 2.673 57.492 54.840 -0.036 0.000 0.770 248 L CB -0.007 42.039 42.059 -0.021 0.000 0.914 248 L HN -0.435 7.763 8.230 -0.054 0.000 0.439 249 I N -1.934 118.574 120.570 -0.103 0.000 2.353 249 I HA -0.469 3.641 4.170 -0.100 0.000 0.248 249 I C 1.603 177.662 176.117 -0.097 0.000 1.119 249 I CA 3.371 64.576 61.300 -0.158 0.000 1.417 249 I CB -0.209 37.546 38.000 -0.409 0.000 1.078 249 I HN -0.206 7.930 8.210 -0.124 0.000 0.421 250 R N -0.685 119.763 120.500 -0.086 0.000 2.062 250 R HA -0.191 4.116 4.340 -0.055 0.000 0.226 250 R C 1.334 177.616 176.300 -0.031 0.000 1.125 250 R CA 2.938 59.004 56.100 -0.056 0.000 0.966 250 R CB 0.540 30.807 30.300 -0.055 0.000 0.861 250 R HN -0.391 7.824 8.270 -0.091 0.000 0.433 251 D N -4.501 115.882 120.400 -0.028 0.000 2.525 251 D HA 0.092 4.724 4.640 -0.013 0.000 0.248 251 D C 0.097 176.392 176.300 -0.008 0.000 1.000 251 D CA 0.196 54.186 54.000 -0.016 0.000 0.923 251 D CB 1.399 42.188 40.800 -0.018 0.000 1.101 251 D HN -0.291 8.058 8.370 -0.034 0.000 0.493 252 G N -0.950 107.845 108.800 -0.009 0.000 2.159 252 G HA2 -0.347 3.753 3.960 0.006 0.000 0.227 252 G HA3 -0.347 3.617 3.960 0.007 0.000 0.227 252 G C -1.070 173.829 174.900 -0.001 0.000 0.986 252 G CA 0.177 45.278 45.100 0.002 0.000 0.651 252 G HN -0.468 7.715 8.290 -0.016 0.098 0.523 253 R N 0.000 120.495 120.500 -0.008 0.000 2.786 253 R HA 0.000 4.337 4.340 -0.005 0.000 0.208 253 R CA 0.000 56.095 56.100 -0.009 0.000 0.921 253 R CB 0.000 30.295 30.300 -0.009 0.000 0.687 253 R HN 0.000 8.217 8.270 -0.012 0.046 0.535