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 3cs4_1_A DATA FIRST_RESID 119 DATA SEQUENCE SLRPKLSEEQ QRIIAILLDA HHKTYDPTYS DFCQFRPPVR VNDGGGXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXSVT DATA SEQUENCE LELSQLSMLP HLADLVSYSI QKVIGFAKMI PGFRDLTSED QIVLLKSSAI DATA SEQUENCE EVIMLRSNES FTMDDMSWTC GNQDYKYRVS DVTKAGHSLE LIEPLIKFQV DATA SEQUENCE GLKKLNLHEE EHVLLMAICI VSPDRPGVQD AALIEAIQDR LSNTLQTYIR DATA SEQUENCE CRHPPPGSHL LYAKMIQKLA DLRSLNEEHS KQYRCLSFQP ECSMKLTPLV DATA SEQUENCE LEVFG 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 119 S HA 0.000 4.470 4.470 0.000 0.000 0.327 119 S C 0.000 174.598 174.600 -0.004 0.000 1.055 119 S CA 0.000 58.201 58.200 0.002 0.000 1.107 119 S CB 0.000 63.201 63.200 0.002 0.000 0.593 120 L N 2.978 124.196 121.223 -0.008 0.000 2.485 120 L HA 0.376 4.719 4.340 0.004 0.000 0.275 120 L C 0.166 177.027 176.870 -0.016 0.000 1.207 120 L CA 0.432 55.265 54.840 -0.011 0.000 0.855 120 L CB 0.233 42.285 42.059 -0.012 0.000 1.114 120 L HN 0.365 8.595 8.230 0.000 0.000 0.485 121 R N 3.208 123.699 120.500 -0.016 0.000 2.629 121 R HA 0.280 4.623 4.340 0.004 0.000 0.277 121 R C -2.277 174.011 176.300 -0.021 0.000 1.637 121 R CA -1.434 54.654 56.100 -0.021 0.000 1.663 121 R CB 0.428 30.716 30.300 -0.020 0.000 1.228 121 R HN 0.453 8.723 8.270 0.000 0.000 0.632 122 P HA 0.018 4.438 4.420 0.000 0.000 0.269 122 P C -0.623 176.668 177.300 -0.015 0.000 1.215 122 P CA -0.076 63.015 63.100 -0.016 0.000 0.780 122 P CB 1.076 32.767 31.700 -0.015 0.000 0.898 123 K N 1.260 121.654 120.400 -0.009 0.000 2.168 123 K HA 0.293 4.615 4.320 0.004 0.000 0.258 123 K C 0.323 176.925 176.600 0.004 0.000 1.010 123 K CA -0.736 55.548 56.287 -0.006 0.000 0.929 123 K CB 0.294 32.793 32.500 -0.002 0.000 0.998 123 K HN 0.391 8.641 8.250 0.000 0.000 0.479 124 L N 2.228 123.459 121.223 0.014 0.000 2.455 124 L HA -0.003 4.340 4.340 0.004 0.000 0.272 124 L C 0.917 177.803 176.870 0.027 0.000 1.174 124 L CA -0.162 54.698 54.840 0.033 0.000 0.869 124 L CB 0.596 42.693 42.059 0.064 0.000 1.130 124 L HN 0.781 9.011 8.230 0.000 0.000 0.474 125 S N 1.599 117.314 115.700 0.024 0.000 2.608 125 S HA 0.094 4.566 4.470 0.004 0.000 0.261 125 S C 0.858 175.472 174.600 0.023 0.000 1.314 125 S CA -0.607 57.604 58.200 0.018 0.000 0.992 125 S CB 0.932 64.140 63.200 0.013 0.000 0.935 125 S HN 0.682 8.992 8.310 0.000 0.000 0.564 126 E N 0.385 120.596 120.200 0.018 0.000 2.110 126 E HA -0.193 4.159 4.350 0.004 0.000 0.193 126 E C 1.989 178.601 176.600 0.020 0.000 0.988 126 E CA 1.285 57.697 56.400 0.020 0.000 0.804 126 E CB -0.150 29.559 29.700 0.015 0.000 0.745 126 E HN 0.871 9.231 8.360 0.000 0.000 0.458 127 E N 1.105 121.314 120.200 0.016 0.000 2.077 127 E HA -0.252 4.101 4.350 0.004 0.000 0.193 127 E C 2.066 178.677 176.600 0.018 0.000 0.989 127 E CA 1.117 57.525 56.400 0.014 0.000 0.800 127 E CB 0.092 29.797 29.700 0.010 0.000 0.746 127 E HN 0.271 8.631 8.360 0.000 0.000 0.452 128 Q N -0.052 119.763 119.800 0.024 0.000 2.124 128 Q HA -0.200 4.142 4.340 0.004 0.000 0.202 128 Q C 2.288 178.315 176.000 0.045 0.000 0.977 128 Q CA 1.601 57.424 55.803 0.034 0.000 0.850 128 Q CB -0.014 28.750 28.738 0.042 0.000 0.901 128 Q HN 0.402 8.672 8.270 0.000 0.000 0.429 129 Q N 0.086 119.915 119.800 0.048 0.000 2.119 129 Q HA -0.165 4.177 4.340 0.004 0.000 0.201 129 Q C 2.087 178.111 176.000 0.040 0.000 0.972 129 Q CA 1.106 56.944 55.803 0.057 0.000 0.847 129 Q CB -0.151 28.618 28.738 0.053 0.000 0.903 129 Q HN 0.249 8.519 8.270 0.000 0.000 0.433 130 R N 0.979 121.495 120.500 0.028 0.000 2.075 130 R HA -0.111 4.231 4.340 0.004 0.000 0.232 130 R C 2.066 178.371 176.300 0.008 0.000 1.126 130 R CA 1.082 57.192 56.100 0.017 0.000 0.963 130 R CB -0.179 30.129 30.300 0.013 0.000 0.858 130 R HN 0.211 8.481 8.270 0.000 0.000 0.435 131 I N 0.808 121.382 120.570 0.006 0.000 2.163 131 I HA -0.304 3.868 4.170 0.004 0.000 0.243 131 I C 2.279 178.388 176.117 -0.013 0.000 1.085 131 I CA 1.402 62.697 61.300 -0.007 0.000 1.347 131 I CB -0.207 37.791 38.000 -0.003 0.000 1.044 131 I HN 0.238 8.448 8.210 0.000 0.000 0.408 132 I N 0.650 121.220 120.570 0.001 0.000 2.226 132 I HA -0.272 3.901 4.170 0.004 0.000 0.245 132 I C 2.786 178.899 176.117 -0.007 0.000 1.100 132 I CA 1.283 62.576 61.300 -0.011 0.000 1.374 132 I CB -0.468 37.536 38.000 0.006 0.000 1.057 132 I HN 0.182 8.392 8.210 0.000 0.000 0.413 133 A N 1.027 123.853 122.820 0.011 0.000 1.902 133 A HA -0.158 4.164 4.320 0.004 0.000 0.217 133 A C 2.301 179.883 177.584 -0.002 0.000 1.181 133 A CA 1.422 53.468 52.037 0.016 0.000 0.623 133 A CB -0.760 18.257 19.000 0.028 0.000 0.818 133 A HN 0.368 8.518 8.150 0.000 0.000 0.443 134 I N -0.381 120.182 120.570 -0.012 0.000 2.226 134 I HA -0.254 3.919 4.170 0.004 0.000 0.245 134 I C 2.339 178.430 176.117 -0.044 0.000 1.100 134 I CA 1.134 62.417 61.300 -0.028 0.000 1.374 134 I CB -0.299 37.677 38.000 -0.040 0.000 1.057 134 I HN 0.294 8.504 8.210 0.000 0.000 0.413 135 L N -0.004 121.192 121.223 -0.044 0.000 2.093 135 L HA -0.188 4.154 4.340 0.004 0.000 0.208 135 L C 2.508 179.407 176.870 0.049 0.000 1.085 135 L CA 1.100 55.933 54.840 -0.011 0.000 0.755 135 L CB -0.454 41.604 42.059 -0.002 0.000 0.904 135 L HN 0.259 8.489 8.230 0.000 0.000 0.435 136 L N -0.174 121.021 121.223 -0.047 0.000 2.046 136 L HA -0.258 4.084 4.340 0.004 0.000 0.208 136 L C 2.233 178.868 176.870 -0.393 0.000 1.077 136 L CA 1.709 56.422 54.840 -0.211 0.000 0.747 136 L CB -0.503 41.464 42.059 -0.153 0.000 0.896 136 L HN 0.319 8.549 8.230 0.000 0.000 0.432 137 D N -0.213 120.104 120.400 -0.139 0.000 2.117 137 D HA -0.181 4.461 4.640 0.004 0.000 0.197 137 D C 2.161 178.482 176.300 0.036 0.000 0.987 137 D CA 1.249 55.233 54.000 -0.026 0.000 0.829 137 D CB 0.152 40.970 40.800 0.030 0.000 0.961 137 D HN 0.263 8.633 8.370 0.000 0.000 0.460 138 A N -0.510 122.346 122.820 0.060 0.000 1.902 138 A HA -0.222 4.101 4.320 0.004 0.000 0.217 138 A C 2.140 179.913 177.584 0.316 0.000 1.181 138 A CA 2.034 54.157 52.037 0.142 0.000 0.623 138 A CB -1.160 17.853 19.000 0.022 0.000 0.818 138 A HN 0.501 8.651 8.150 0.000 0.000 0.443 139 H N -0.719 118.492 119.070 0.235 0.000 2.357 139 H HA -0.121 4.437 4.556 0.004 0.000 0.301 139 H C 1.827 177.274 175.328 0.197 0.000 1.082 139 H CA 2.171 58.316 56.048 0.161 0.000 1.342 139 H CB -0.489 29.282 29.762 0.015 0.000 1.389 139 H HN 0.759 9.039 8.280 0.000 0.000 0.511 140 H N -0.446 118.669 119.070 0.075 0.000 2.456 140 H HA -0.032 4.526 4.556 0.004 0.000 0.296 140 H C 1.691 177.018 175.328 -0.002 0.000 1.079 140 H CA 0.923 56.970 56.048 -0.003 0.000 1.322 140 H CB 0.316 30.108 29.762 0.050 0.000 1.388 140 H HN 0.327 8.607 8.280 0.000 0.000 0.538 141 K N 0.054 120.542 120.400 0.148 0.000 2.361 141 K HA 0.000 4.323 4.320 0.004 0.000 0.196 141 K C 1.430 178.070 176.600 0.066 0.000 1.039 141 K CA 1.274 57.617 56.287 0.094 0.000 1.001 141 K CB 0.592 33.143 32.500 0.085 0.000 0.795 141 K HN 0.312 8.562 8.250 0.000 0.000 0.495 142 T N -3.094 111.506 114.554 0.076 0.000 3.040 142 T HA 0.089 4.442 4.350 0.004 0.000 0.266 142 T C -0.380 174.350 174.700 0.050 0.000 1.005 142 T CA -0.395 61.741 62.100 0.059 0.000 0.906 142 T CB -0.039 68.903 68.868 0.124 0.000 1.082 142 T HN 0.035 8.275 8.240 0.000 0.000 0.531 143 Y N 2.290 122.506 120.300 -0.140 0.000 2.402 143 Y HA 0.508 5.060 4.550 0.005 0.000 0.325 143 Y C -1.287 174.540 175.900 -0.123 0.000 1.009 143 Y CA -1.905 56.111 58.100 -0.140 0.000 1.278 143 Y CB 1.191 39.400 38.460 -0.419 0.000 1.105 143 Y HN 0.032 8.312 8.280 0.000 0.000 0.476 144 D N 8.438 128.683 120.400 -0.259 0.000 2.352 144 D HA 0.196 4.839 4.640 0.004 0.000 0.245 144 D C -1.808 174.154 176.300 -0.563 0.000 1.224 144 D CA -2.399 51.443 54.000 -0.265 0.000 0.879 144 D CB 1.529 42.221 40.800 -0.181 0.000 1.057 144 D HN 0.347 8.717 8.370 0.000 0.000 0.491 145 P HA -0.075 4.345 4.420 0.000 0.000 0.239 145 P C 0.791 177.593 177.300 -0.830 0.000 1.184 145 P CA 0.730 63.564 63.100 -0.443 0.000 0.760 145 P CB 0.073 31.730 31.700 -0.071 0.000 0.884 146 T N -5.965 108.149 114.554 -0.733 0.000 3.040 146 T HA 0.028 4.381 4.350 0.004 0.000 0.250 146 T C 0.664 175.012 174.700 -0.586 0.000 1.058 146 T CA -0.299 61.490 62.100 -0.517 0.000 0.988 146 T CB -1.067 67.636 68.868 -0.274 0.000 0.993 146 T HN 0.002 8.242 8.240 0.000 0.000 0.519 147 Y N 1.981 122.006 120.300 -0.458 0.000 3.491 147 Y HA -0.288 4.265 4.550 0.003 0.000 0.215 147 Y C 1.798 177.253 175.900 -0.742 0.000 1.219 147 Y CA 0.267 57.797 58.100 -0.950 0.000 1.485 147 Y CB -2.931 34.675 38.460 -1.424 0.000 1.450 147 Y HN 0.545 8.825 8.280 0.000 0.000 0.603 148 S N -1.762 113.729 115.700 -0.349 0.000 2.474 148 S HA -0.148 4.325 4.470 0.004 0.000 0.235 148 S C 1.293 175.770 174.600 -0.205 0.000 0.997 148 S CA 1.258 59.312 58.200 -0.244 0.000 0.949 148 S CB 0.116 63.218 63.200 -0.163 0.000 0.766 148 S HN 0.539 8.849 8.310 0.000 0.000 0.517 149 D N 0.400 120.699 120.400 -0.167 0.000 2.348 149 D HA 0.166 4.809 4.640 0.004 0.000 0.211 149 D C 0.944 176.917 176.300 -0.545 0.000 0.998 149 D CA 0.193 54.068 54.000 -0.208 0.000 0.873 149 D CB -0.274 40.475 40.800 -0.084 0.000 0.925 149 D HN 0.347 8.717 8.370 0.000 0.000 0.524 150 F N 1.425 120.807 119.950 -0.947 0.000 2.250 150 F HA -0.161 4.368 4.527 0.003 0.000 0.301 150 F C 2.502 177.816 175.800 -0.810 0.000 1.077 150 F CA 0.194 57.426 58.000 -1.281 0.000 1.348 150 F CB -1.391 37.198 39.000 -0.685 0.000 1.040 150 F HN 0.156 8.456 8.300 0.000 0.000 0.509 151 C N -0.969 118.125 119.300 -0.344 0.000 2.491 151 C HA -0.042 4.420 4.460 0.004 0.000 0.277 151 C C 2.044 177.013 174.990 -0.036 0.000 1.455 151 C CA 0.053 59.038 59.018 -0.056 0.000 1.758 151 C CB -1.728 25.986 27.740 -0.044 0.000 1.745 151 C HN 0.489 8.719 8.230 0.000 0.000 0.558 152 Q N -0.082 119.602 119.800 -0.193 0.000 2.398 152 Q HA 0.247 4.590 4.340 0.004 0.000 0.204 152 Q C 0.334 176.423 176.000 0.149 0.000 0.932 152 Q CA 0.214 55.998 55.803 -0.032 0.000 0.916 152 Q CB 0.040 28.762 28.738 -0.027 0.000 1.024 152 Q HN 0.773 9.043 8.270 0.000 0.000 0.504 153 F N 1.220 121.202 119.950 0.054 0.000 2.440 153 F HA 0.191 4.721 4.527 0.004 0.000 0.323 153 F C 1.035 176.914 175.800 0.132 0.000 1.192 153 F CA -1.107 56.908 58.000 0.025 0.000 1.252 153 F CB 0.496 39.421 39.000 -0.126 0.000 1.214 153 F HN -0.146 8.154 8.300 0.000 0.000 0.578 154 R N 2.142 122.826 120.500 0.306 0.000 2.640 154 R HA 0.064 4.406 4.340 0.004 0.000 0.270 154 R C -2.264 174.235 176.300 0.332 0.000 1.024 154 R CA -1.283 54.954 56.100 0.228 0.000 1.085 154 R CB -0.186 30.199 30.300 0.141 0.000 0.963 154 R HN 0.250 8.520 8.270 0.000 0.000 0.426 155 P HA 0.002 4.422 4.420 0.000 0.000 0.266 155 P C -2.493 174.825 177.300 0.029 0.000 1.195 155 P CA -0.971 62.200 63.100 0.119 0.000 0.768 155 P CB 0.235 31.967 31.700 0.052 0.000 0.838 156 P HA 0.153 4.573 4.420 0.000 0.000 0.279 156 P C -0.789 176.446 177.300 -0.109 0.000 1.239 156 P CA -0.105 62.849 63.100 -0.243 0.000 0.789 156 P CB 0.839 32.206 31.700 -0.554 0.000 0.933 157 V N 4.902 124.795 119.914 -0.034 0.000 2.577 157 V HA 0.378 4.501 4.120 0.004 0.000 0.303 157 V C 0.192 176.282 176.094 -0.007 0.000 1.042 157 V CA -0.633 61.654 62.300 -0.022 0.000 0.872 157 V CB 1.917 33.739 31.823 -0.002 0.000 0.998 157 V HN 0.446 8.636 8.190 0.000 0.000 0.423 158 R N 2.845 123.336 120.500 -0.014 0.000 2.272 158 R HA 0.575 4.917 4.340 0.004 0.000 0.323 158 R C -0.396 175.904 176.300 0.001 0.000 1.002 158 R CA -0.338 55.762 56.100 0.000 0.000 0.900 158 R CB 1.615 31.913 30.300 -0.004 0.000 1.151 158 R HN 0.726 8.996 8.270 0.000 0.000 0.507 159 V N 0.207 120.125 119.914 0.006 0.000 2.881 159 V HA 0.303 4.426 4.120 0.004 0.000 0.303 159 V C 0.229 176.327 176.094 0.007 0.000 1.070 159 V CA -1.009 61.294 62.300 0.005 0.000 1.074 159 V CB 1.124 32.950 31.823 0.005 0.000 1.012 159 V HN 0.590 8.780 8.190 0.000 0.000 0.482 160 N N 2.795 121.498 118.700 0.005 0.000 2.406 160 N HA 0.145 4.887 4.740 0.004 0.000 0.274 160 N C -0.459 175.057 175.510 0.009 0.000 1.249 160 N CA 0.472 53.525 53.050 0.006 0.000 0.951 160 N CB 0.510 38.999 38.487 0.004 0.000 1.241 160 N HN 0.959 9.339 8.380 0.000 0.000 0.485 161 D N 0.591 120.999 120.400 0.013 0.000 2.945 161 D HA 0.219 4.862 4.640 0.004 0.000 0.369 161 D C 1.309 177.620 176.300 0.018 0.000 1.294 161 D CA -0.568 53.441 54.000 0.015 0.000 0.778 161 D CB -0.167 40.643 40.800 0.017 0.000 1.188 161 D HN 0.479 8.849 8.370 0.000 0.000 0.479 162 G N -0.230 108.580 108.800 0.016 0.000 2.479 162 G HA2 -0.150 3.813 3.960 0.004 0.000 0.220 162 G HA3 -0.150 3.813 3.960 0.004 0.000 0.220 162 G C 1.347 176.258 174.900 0.018 0.000 1.115 162 G CA 0.604 45.714 45.100 0.017 0.000 0.757 162 G HN 0.428 8.718 8.290 0.000 0.000 0.560 163 G N -0.302 108.508 108.800 0.015 0.000 2.880 163 G HA2 0.421 4.384 3.960 0.004 0.000 0.209 163 G HA3 0.421 4.384 3.960 0.004 0.000 0.209 163 G C 1.046 175.957 174.900 0.018 0.000 1.157 163 G CA 0.553 45.662 45.100 0.015 0.000 0.779 163 G HN 1.191 9.481 8.290 0.000 0.000 0.539 217 V N 4.541 124.458 119.914 0.004 0.000 2.427 217 V HA -0.103 4.019 4.120 0.004 0.000 0.248 217 V C 2.641 178.731 176.094 -0.007 0.000 1.051 217 V CA 2.591 64.890 62.300 -0.002 0.000 1.048 217 V CB -1.095 30.727 31.823 -0.001 0.000 0.666 217 V HN 0.929 9.119 8.190 0.000 0.000 0.456 218 T N 0.675 115.226 114.554 -0.004 0.000 2.708 218 T HA -0.198 4.155 4.350 0.004 0.000 0.266 218 T C 1.905 176.602 174.700 -0.006 0.000 1.037 218 T CA 1.952 64.049 62.100 -0.005 0.000 1.146 218 T CB -0.352 68.514 68.868 -0.003 0.000 0.865 218 T HN 0.319 8.559 8.240 0.000 0.000 0.435 219 L N 1.345 122.566 121.223 -0.003 0.000 2.027 219 L HA -0.019 4.324 4.340 0.004 0.000 0.206 219 L C 2.267 179.134 176.870 -0.005 0.000 1.074 219 L CA 1.802 56.640 54.840 -0.003 0.000 0.745 219 L CB -0.707 41.352 42.059 0.001 0.000 0.898 219 L HN 0.244 8.474 8.230 0.000 0.000 0.433 220 E N -0.472 119.724 120.200 -0.006 0.000 2.085 220 E HA -0.238 4.114 4.350 0.004 0.000 0.194 220 E C 2.244 178.829 176.600 -0.024 0.000 0.994 220 E CA 1.742 58.136 56.400 -0.011 0.000 0.801 220 E CB -0.297 29.398 29.700 -0.009 0.000 0.743 220 E HN 0.514 8.874 8.360 0.000 0.000 0.453 221 L N 0.776 121.982 121.223 -0.028 0.000 2.156 221 L HA -0.122 4.221 4.340 0.004 0.000 0.208 221 L C 2.634 179.487 176.870 -0.028 0.000 1.095 221 L CA 1.117 55.935 54.840 -0.037 0.000 0.770 221 L CB -0.431 41.608 42.059 -0.034 0.000 0.914 221 L HN 0.207 8.437 8.230 0.000 0.000 0.439 222 S N -1.251 114.439 115.700 -0.018 0.000 2.423 222 S HA -0.134 4.339 4.470 0.004 0.000 0.231 222 S C 1.842 176.435 174.600 -0.012 0.000 1.014 222 S CA 0.606 58.798 58.200 -0.013 0.000 0.965 222 S CB -0.023 63.172 63.200 -0.009 0.000 0.785 222 S HN 0.397 8.707 8.310 0.000 0.000 0.495 223 Q N 0.616 120.409 119.800 -0.012 0.000 2.387 223 Q HA 0.398 4.740 4.340 0.004 0.000 0.208 223 Q C 0.928 176.922 176.000 -0.011 0.000 0.935 223 Q CA 0.267 56.065 55.803 -0.008 0.000 0.891 223 Q CB -0.377 28.359 28.738 -0.003 0.000 1.007 223 Q HN 0.570 8.840 8.270 0.000 0.000 0.548 224 L N 2.677 123.890 121.223 -0.017 0.000 3.739 224 L HA -0.267 4.075 4.340 0.004 0.000 0.442 224 L C 1.379 178.246 176.870 -0.004 0.000 1.241 224 L CA 0.288 55.115 54.840 -0.022 0.000 0.819 224 L CB -1.852 40.184 42.059 -0.039 0.000 1.679 224 L HN 0.233 8.463 8.230 0.000 0.000 0.889 225 S N -1.015 114.688 115.700 0.006 0.000 2.383 225 S HA -0.149 4.323 4.470 0.004 0.000 0.229 225 S C 1.529 176.148 174.600 0.032 0.000 1.030 225 S CA 1.389 59.599 58.200 0.016 0.000 1.002 225 S CB -0.024 63.183 63.200 0.013 0.000 0.829 225 S HN 0.537 8.847 8.310 0.000 0.000 0.467 226 M N 0.440 120.064 119.600 0.039 0.000 2.495 226 M HA 0.355 4.837 4.480 0.004 0.000 0.237 226 M C 1.666 178.005 176.300 0.066 0.000 1.131 226 M CA 0.120 55.462 55.300 0.071 0.000 1.032 226 M CB -0.677 31.974 32.600 0.083 0.000 1.513 226 M HN 0.382 8.672 8.290 0.000 0.000 0.488 227 L N 1.762 123.003 121.223 0.029 0.000 2.046 227 L HA -0.039 4.303 4.340 0.004 0.000 0.208 227 L C -0.859 176.017 176.870 0.010 0.000 1.077 227 L CA 2.289 57.133 54.840 0.007 0.000 0.747 227 L CB -1.696 40.351 42.059 -0.020 0.000 0.896 227 L HN 0.067 8.297 8.230 0.000 0.000 0.432 228 P HA -0.187 4.233 4.420 0.000 0.000 0.215 228 P C 1.220 178.539 177.300 0.031 0.000 1.157 228 P CA 1.684 64.802 63.100 0.031 0.000 0.868 228 P CB -0.069 31.663 31.700 0.054 0.000 0.788 229 H N -0.602 118.466 119.070 -0.003 0.000 2.326 229 H HA -0.013 4.545 4.556 0.004 0.000 0.301 229 H C 1.799 177.063 175.328 -0.107 0.000 1.081 229 H CA 1.441 57.498 56.048 0.015 0.000 1.334 229 H CB -0.906 28.910 29.762 0.091 0.000 1.385 229 H HN -0.061 8.219 8.280 0.000 0.000 0.504 230 L N -0.348 120.800 121.223 -0.126 0.000 2.141 230 L HA -0.068 4.274 4.340 0.004 0.000 0.209 230 L C 2.748 179.453 176.870 -0.276 0.000 1.094 230 L CA 0.812 55.489 54.840 -0.272 0.000 0.763 230 L CB -0.596 41.369 42.059 -0.156 0.000 0.908 230 L HN 0.422 8.652 8.230 0.000 0.000 0.437 231 A N -0.079 122.637 122.820 -0.173 0.000 1.898 231 A HA -0.208 4.114 4.320 0.004 0.000 0.216 231 A C 1.899 179.335 177.584 -0.247 0.000 1.181 231 A CA 1.815 53.777 52.037 -0.125 0.000 0.620 231 A CB -0.400 18.574 19.000 -0.043 0.000 0.819 231 A HN 0.305 8.455 8.150 0.000 0.000 0.442 232 D N -0.469 119.703 120.400 -0.379 0.000 2.117 232 D HA -0.112 4.531 4.640 0.004 0.000 0.198 232 D C 1.855 177.512 176.300 -1.072 0.000 0.982 232 D CA 1.190 54.819 54.000 -0.618 0.000 0.828 232 D CB -0.371 40.058 40.800 -0.618 0.000 0.967 232 D HN 0.347 8.717 8.370 0.000 0.000 0.464 233 L N 0.477 121.012 121.223 -1.147 0.000 2.017 233 L HA -0.129 4.213 4.340 0.004 0.000 0.208 233 L C 2.102 178.673 176.870 -0.500 0.000 1.073 233 L CA 1.439 55.642 54.840 -1.063 0.000 0.745 233 L CB -0.508 41.066 42.059 -0.809 0.000 0.894 233 L HN -0.114 8.116 8.230 0.000 0.000 0.432 234 V N -1.170 118.531 119.914 -0.354 0.000 2.453 234 V HA -0.213 3.910 4.120 0.004 0.000 0.247 234 V C 2.732 178.758 176.094 -0.113 0.000 1.048 234 V CA 1.652 63.852 62.300 -0.167 0.000 1.049 234 V CB -0.386 31.387 31.823 -0.084 0.000 0.672 234 V HN 0.615 8.805 8.190 0.000 0.000 0.457 235 S N -1.025 114.581 115.700 -0.158 0.000 2.356 235 S HA -0.258 4.215 4.470 0.004 0.000 0.223 235 S C 2.013 176.558 174.600 -0.091 0.000 1.032 235 S CA 1.981 60.109 58.200 -0.120 0.000 1.005 235 S CB -0.441 62.681 63.200 -0.132 0.000 0.867 235 S HN 0.691 9.001 8.310 0.000 0.000 0.449 236 Y N 1.974 122.100 120.300 -0.290 0.000 2.165 236 Y HA -0.143 4.410 4.550 0.004 0.000 0.286 236 Y C 2.489 178.340 175.900 -0.082 0.000 1.155 236 Y CA 2.105 60.099 58.100 -0.177 0.000 1.164 236 Y CB -0.699 37.614 38.460 -0.245 0.000 0.978 236 Y HN 0.277 8.557 8.280 0.000 0.000 0.513 237 S N 0.626 116.359 115.700 0.055 0.000 2.383 237 S HA -0.162 4.311 4.470 0.004 0.000 0.227 237 S C 1.981 176.546 174.600 -0.058 0.000 1.026 237 S CA 1.556 59.765 58.200 0.015 0.000 0.981 237 S CB -0.464 62.776 63.200 0.067 0.000 0.818 237 S HN 0.512 8.822 8.310 0.000 0.000 0.472 238 I N 1.683 122.209 120.570 -0.072 0.000 2.286 238 I HA -0.246 3.926 4.170 0.004 0.000 0.248 238 I C 2.642 178.702 176.117 -0.096 0.000 1.115 238 I CA 1.188 62.436 61.300 -0.087 0.000 1.392 238 I CB -0.401 37.524 38.000 -0.125 0.000 1.065 238 I HN 0.357 8.567 8.210 0.000 0.000 0.418 239 Q N 0.507 120.233 119.800 -0.123 0.000 2.084 239 Q HA -0.192 4.151 4.340 0.004 0.000 0.202 239 Q C 2.190 178.113 176.000 -0.128 0.000 0.978 239 Q CA 1.098 56.826 55.803 -0.126 0.000 0.844 239 Q CB -0.046 28.603 28.738 -0.148 0.000 0.898 239 Q HN 0.355 8.625 8.270 0.000 0.000 0.426 240 K N 0.262 120.553 120.400 -0.182 0.000 2.097 240 K HA -0.067 4.255 4.320 0.004 0.000 0.205 240 K C 2.112 178.712 176.600 -0.001 0.000 1.050 240 K CA 0.770 56.984 56.287 -0.121 0.000 0.938 240 K CB -0.536 31.865 32.500 -0.164 0.000 0.718 240 K HN 0.083 8.333 8.250 0.000 0.000 0.442 241 V N 1.848 121.760 119.914 -0.003 0.000 2.407 241 V HA -0.199 3.924 4.120 0.004 0.000 0.248 241 V C 2.331 178.448 176.094 0.038 0.000 1.055 241 V CA 1.328 63.655 62.300 0.046 0.000 1.049 241 V CB -0.410 31.415 31.823 0.004 0.000 0.662 241 V HN 0.180 8.370 8.190 0.000 0.000 0.455 242 I N 0.666 121.224 120.570 -0.019 0.000 2.179 242 I HA -0.174 3.998 4.170 0.004 0.000 0.242 242 I C 2.599 178.692 176.117 -0.041 0.000 1.088 242 I CA 1.751 63.027 61.300 -0.040 0.000 1.357 242 I CB -0.912 37.068 38.000 -0.034 0.000 1.051 242 I HN 0.407 8.617 8.210 0.000 0.000 0.409 243 G N 0.589 109.383 108.800 -0.010 0.000 2.418 243 G HA2 -0.316 3.646 3.960 0.004 0.000 0.217 243 G HA3 -0.316 3.646 3.960 0.004 0.000 0.217 243 G C 1.602 176.510 174.900 0.013 0.000 1.158 243 G CA 0.570 45.670 45.100 -0.000 0.000 0.771 243 G HN 0.336 8.626 8.290 0.000 0.000 0.545 244 F N 2.518 122.415 119.950 -0.088 0.000 2.069 244 F HA 0.026 4.556 4.527 0.004 0.000 0.298 244 F C 2.793 178.483 175.800 -0.183 0.000 1.113 244 F CA 1.476 59.424 58.000 -0.086 0.000 1.214 244 F CB -0.463 38.512 39.000 -0.041 0.000 0.978 244 F HN 0.228 8.528 8.300 0.000 0.000 0.474 245 A N 0.424 123.064 122.820 -0.301 0.000 1.908 245 A HA -0.245 4.077 4.320 0.004 0.000 0.218 245 A C 2.219 179.304 177.584 -0.832 0.000 1.181 245 A CA 2.004 53.585 52.037 -0.760 0.000 0.627 245 A CB -0.802 17.667 19.000 -0.884 0.000 0.818 245 A HN 0.510 8.660 8.150 0.000 0.000 0.445 246 K N -1.012 119.147 120.400 -0.401 0.000 2.280 246 K HA -0.003 4.319 4.320 0.004 0.000 0.202 246 K C 1.584 178.128 176.600 -0.094 0.000 1.047 246 K CA 1.348 57.581 56.287 -0.089 0.000 0.942 246 K CB -0.202 32.298 32.500 0.000 0.000 0.739 246 K HN 0.531 8.781 8.250 0.000 0.000 0.457 247 M N 0.548 120.014 119.600 -0.224 0.000 2.502 247 M HA 0.114 4.597 4.480 0.004 0.000 0.243 247 M C 0.175 176.322 176.300 -0.256 0.000 1.130 247 M CA 0.153 55.334 55.300 -0.197 0.000 1.055 247 M CB 0.316 32.803 32.600 -0.189 0.000 1.457 247 M HN -0.008 8.282 8.290 0.000 0.000 0.488 248 I N 2.574 122.932 120.570 -0.354 0.000 2.587 248 I HA 0.058 4.231 4.170 0.004 0.000 0.284 248 I C -2.027 174.040 176.117 -0.083 0.000 1.134 248 I CA -1.760 59.367 61.300 -0.289 0.000 1.410 248 I CB 0.148 37.956 38.000 -0.320 0.000 1.392 248 I HN -0.224 7.986 8.210 0.000 0.000 0.545 249 P HA -0.002 4.418 4.420 0.000 0.000 0.260 249 P C 0.816 178.126 177.300 0.017 0.000 1.185 249 P CA 0.836 63.925 63.100 -0.019 0.000 0.763 249 P CB 0.545 32.230 31.700 -0.025 0.000 0.776 250 G N 2.953 111.772 108.800 0.031 0.000 2.284 250 G HA2 -0.377 3.585 3.960 0.004 0.000 0.230 250 G HA3 -0.377 3.585 3.960 0.004 0.000 0.230 250 G C 0.941 175.872 174.900 0.052 0.000 1.021 250 G CA 0.126 45.244 45.100 0.031 0.000 0.619 250 G HN 0.469 8.759 8.290 0.000 0.000 0.510 251 F N 2.356 122.269 119.950 -0.061 0.000 2.120 251 F HA -0.016 4.513 4.527 0.004 0.000 0.300 251 F C 2.655 178.426 175.800 -0.047 0.000 1.095 251 F CA 2.344 60.309 58.000 -0.058 0.000 1.249 251 F CB 0.029 38.980 39.000 -0.081 0.000 0.995 251 F HN 0.120 8.420 8.300 0.000 0.000 0.480 252 R N 0.494 121.030 120.500 0.060 0.000 2.285 252 R HA -0.098 4.244 4.340 0.004 0.000 0.213 252 R C 1.406 177.658 176.300 -0.079 0.000 1.068 252 R CA 0.991 57.081 56.100 -0.018 0.000 1.004 252 R CB -1.093 29.224 30.300 0.028 0.000 0.873 252 R HN 0.412 8.682 8.270 0.000 0.000 0.467 253 D N 0.440 120.792 120.400 -0.079 0.000 2.347 253 D HA 0.015 4.658 4.640 0.004 0.000 0.215 253 D C 0.748 176.978 176.300 -0.116 0.000 0.976 253 D CA 0.331 54.285 54.000 -0.077 0.000 0.884 253 D CB 0.296 41.066 40.800 -0.050 0.000 0.915 253 D HN 0.136 8.506 8.370 0.000 0.000 0.526 254 L N 1.065 122.169 121.223 -0.199 0.000 2.439 254 L HA 0.148 4.490 4.340 0.004 0.000 0.261 254 L C 1.204 177.952 176.870 -0.203 0.000 1.153 254 L CA -0.564 54.139 54.840 -0.230 0.000 0.808 254 L CB 0.787 42.617 42.059 -0.382 0.000 1.126 254 L HN -0.068 8.162 8.230 0.000 0.000 0.460 255 T N -2.220 112.240 114.554 -0.156 0.000 2.900 255 T HA -0.014 4.338 4.350 0.004 0.000 0.307 255 T C 1.200 175.817 174.700 -0.139 0.000 1.065 255 T CA -0.107 61.921 62.100 -0.119 0.000 1.105 255 T CB 1.320 70.136 68.868 -0.086 0.000 0.979 255 T HN 0.651 8.891 8.240 0.000 0.000 0.544 256 S N 0.224 115.864 115.700 -0.100 0.000 2.374 256 S HA -0.225 4.247 4.470 0.004 0.000 0.227 256 S C 1.896 176.450 174.600 -0.078 0.000 1.037 256 S CA 1.939 60.089 58.200 -0.084 0.000 1.024 256 S CB -0.702 62.468 63.200 -0.050 0.000 0.861 256 S HN 0.910 9.220 8.310 0.000 0.000 0.456 257 E N -0.053 120.107 120.200 -0.067 0.000 2.085 257 E HA -0.205 4.148 4.350 0.004 0.000 0.194 257 E C 1.408 177.970 176.600 -0.064 0.000 0.994 257 E CA 1.671 58.038 56.400 -0.054 0.000 0.801 257 E CB -0.226 29.447 29.700 -0.045 0.000 0.743 257 E HN 0.482 8.842 8.360 0.000 0.000 0.453 258 D N 0.085 120.429 120.400 -0.093 0.000 2.183 258 D HA -0.107 4.535 4.640 0.004 0.000 0.203 258 D C 1.975 178.196 176.300 -0.132 0.000 0.969 258 D CA 0.726 54.664 54.000 -0.103 0.000 0.842 258 D CB -0.103 40.622 40.800 -0.124 0.000 0.957 258 D HN 0.307 8.677 8.370 0.000 0.000 0.484 259 Q N -0.118 119.555 119.800 -0.211 0.000 2.084 259 Q HA -0.113 4.229 4.340 0.004 0.000 0.202 259 Q C 2.051 178.081 176.000 0.050 0.000 0.978 259 Q CA 0.743 56.404 55.803 -0.238 0.000 0.844 259 Q CB 0.124 28.677 28.738 -0.309 0.000 0.898 259 Q HN 0.281 8.551 8.270 0.000 0.000 0.426 260 I N 0.023 120.597 120.570 0.007 0.000 2.252 260 I HA -0.191 3.982 4.170 0.004 0.000 0.245 260 I C 2.323 178.447 176.117 0.013 0.000 1.102 260 I CA 0.972 62.284 61.300 0.020 0.000 1.385 260 I CB -1.147 36.847 38.000 -0.009 0.000 1.064 260 I HN 0.055 8.265 8.210 0.000 0.000 0.414 261 V N 1.202 121.115 119.914 -0.002 0.000 2.287 261 V HA -0.263 3.859 4.120 0.004 0.000 0.248 261 V C 2.636 178.742 176.094 0.020 0.000 1.053 261 V CA 1.576 63.875 62.300 -0.002 0.000 1.027 261 V CB -0.533 31.283 31.823 -0.011 0.000 0.646 261 V HN 0.319 8.509 8.190 0.000 0.000 0.447 262 L N -0.987 120.267 121.223 0.052 0.000 2.046 262 L HA -0.177 4.166 4.340 0.004 0.000 0.208 262 L C 2.413 179.339 176.870 0.093 0.000 1.077 262 L CA 1.448 56.345 54.840 0.095 0.000 0.747 262 L CB -0.549 41.621 42.059 0.184 0.000 0.896 262 L HN 0.294 8.524 8.230 0.000 0.000 0.432 263 L N -0.323 120.968 121.223 0.113 0.000 2.017 263 L HA -0.226 4.116 4.340 0.004 0.000 0.208 263 L C 2.695 179.554 176.870 -0.019 0.000 1.073 263 L CA 1.482 56.354 54.840 0.053 0.000 0.745 263 L CB -0.462 41.635 42.059 0.064 0.000 0.894 263 L HN 0.192 8.422 8.230 0.000 0.000 0.432 264 K N -0.163 120.214 120.400 -0.037 0.000 2.097 264 K HA -0.149 4.174 4.320 0.004 0.000 0.206 264 K C 2.312 178.874 176.600 -0.063 0.000 1.049 264 K CA 1.760 57.991 56.287 -0.094 0.000 0.933 264 K CB -0.160 32.287 32.500 -0.088 0.000 0.717 264 K HN 0.402 8.652 8.250 0.000 0.000 0.442 265 S N 0.328 116.017 115.700 -0.018 0.000 2.414 265 S HA -0.089 4.384 4.470 0.004 0.000 0.227 265 S C 2.001 176.606 174.600 0.008 0.000 1.022 265 S CA 1.235 59.437 58.200 0.003 0.000 0.958 265 S CB -0.064 63.142 63.200 0.009 0.000 0.797 265 S HN 0.276 8.586 8.310 0.000 0.000 0.493 266 S N 1.239 116.942 115.700 0.004 0.000 2.517 266 S HA 0.505 4.977 4.470 0.004 0.000 0.214 266 S C 1.969 176.562 174.600 -0.011 0.000 0.991 266 S CA 0.302 58.502 58.200 -0.001 0.000 0.906 266 S CB -0.348 62.859 63.200 0.011 0.000 0.789 266 S HN 0.654 8.964 8.310 0.000 0.000 0.513 267 A N 2.682 125.489 122.820 -0.022 0.000 1.894 267 A HA -0.176 4.146 4.320 0.004 0.000 0.220 267 A C 2.104 179.688 177.584 -0.000 0.000 1.237 267 A CA 2.103 54.120 52.037 -0.034 0.000 0.660 267 A CB -1.164 17.767 19.000 -0.116 0.000 0.835 267 A HN 0.600 8.750 8.150 0.000 0.000 0.461 268 I N -0.006 120.597 120.570 0.055 0.000 2.361 268 I HA -0.186 3.986 4.170 0.004 0.000 0.251 268 I C 2.150 178.190 176.117 -0.128 0.000 1.133 268 I CA 1.911 63.182 61.300 -0.049 0.000 1.413 268 I CB -0.417 37.473 38.000 -0.183 0.000 1.073 268 I HN 0.501 8.711 8.210 0.000 0.000 0.424 269 E N -0.555 119.589 120.200 -0.093 0.000 2.072 269 E HA -0.148 4.205 4.350 0.004 0.000 0.191 269 E C 2.238 178.794 176.600 -0.073 0.000 0.985 269 E CA 1.487 57.818 56.400 -0.115 0.000 0.801 269 E CB -0.125 29.521 29.700 -0.088 0.000 0.750 269 E HN 0.364 8.724 8.360 0.000 0.000 0.452 270 V N 1.430 121.317 119.914 -0.046 0.000 2.515 270 V HA -0.214 3.909 4.120 0.004 0.000 0.250 270 V C 2.177 178.263 176.094 -0.012 0.000 1.058 270 V CA 1.225 63.502 62.300 -0.038 0.000 1.064 270 V CB -0.340 31.460 31.823 -0.037 0.000 0.675 270 V HN 0.262 8.452 8.190 0.000 0.000 0.461 271 I N -0.616 119.944 120.570 -0.017 0.000 2.179 271 I HA -0.291 3.881 4.170 0.004 0.000 0.242 271 I C 2.508 178.642 176.117 0.028 0.000 1.088 271 I CA 1.811 63.114 61.300 0.005 0.000 1.357 271 I CB -0.207 37.764 38.000 -0.049 0.000 1.051 271 I HN 0.273 8.483 8.210 0.000 0.000 0.409 272 M N -0.082 119.504 119.600 -0.022 0.000 2.117 272 M HA -0.228 4.255 4.480 0.004 0.000 0.262 272 M C 2.324 178.758 176.300 0.223 0.000 1.065 272 M CA 1.836 57.160 55.300 0.041 0.000 1.114 272 M CB -0.343 32.176 32.600 -0.135 0.000 1.361 272 M HN 0.237 8.527 8.290 0.000 0.000 0.408 273 L N 0.065 121.392 121.223 0.174 0.000 1.994 273 L HA -0.214 4.128 4.340 0.004 0.000 0.208 273 L C 2.809 179.825 176.870 0.243 0.000 1.071 273 L CA 1.513 56.486 54.840 0.222 0.000 0.745 273 L CB -0.731 41.362 42.059 0.058 0.000 0.892 273 L HN 0.373 8.603 8.230 0.000 0.000 0.431 274 R N 0.187 120.791 120.500 0.175 0.000 2.152 274 R HA -0.130 4.213 4.340 0.004 0.000 0.232 274 R C 2.172 178.729 176.300 0.429 0.000 1.117 274 R CA 1.593 57.859 56.100 0.277 0.000 0.981 274 R CB -0.803 29.661 30.300 0.275 0.000 0.870 274 R HN 0.405 8.675 8.270 0.000 0.000 0.451 275 S N 0.542 116.492 115.700 0.416 0.000 2.474 275 S HA -0.147 4.325 4.470 0.004 0.000 0.235 275 S C 1.689 176.672 174.600 0.639 0.000 0.997 275 S CA 0.934 59.454 58.200 0.533 0.000 0.949 275 S CB -0.599 62.826 63.200 0.375 0.000 0.766 275 S HN 0.526 8.836 8.310 0.000 0.000 0.517 276 N N 1.414 120.386 118.700 0.454 0.000 2.364 276 N HA -0.169 4.573 4.740 0.004 0.000 0.183 276 N C 1.762 177.434 175.510 0.270 0.000 1.022 276 N CA 1.178 54.423 53.050 0.325 0.000 0.883 276 N CB -0.163 38.435 38.487 0.186 0.000 0.965 276 N HN 0.760 9.140 8.380 0.000 0.000 0.438 277 E N 0.125 120.471 120.200 0.244 0.000 2.152 277 E HA -0.099 4.254 4.350 0.004 0.000 0.192 277 E C 1.722 178.532 176.600 0.351 0.000 0.983 277 E CA 1.258 57.758 56.400 0.167 0.000 0.818 277 E CB 0.093 29.775 29.700 -0.030 0.000 0.758 277 E HN 0.400 8.760 8.360 0.000 0.000 0.467 278 S N -0.607 115.399 115.700 0.509 0.000 2.503 278 S HA 0.029 4.502 4.470 0.004 0.000 0.217 278 S C 0.530 175.323 174.600 0.322 0.000 0.999 278 S CA -0.625 57.831 58.200 0.428 0.000 0.914 278 S CB -0.220 63.179 63.200 0.331 0.000 0.782 278 S HN 0.226 8.536 8.310 0.000 0.000 0.520 279 F N 3.143 123.193 119.950 0.167 0.000 2.518 279 F HA 0.483 5.012 4.527 0.004 0.000 0.359 279 F C 0.352 176.086 175.800 -0.109 0.000 1.118 279 F CA 0.526 58.417 58.000 -0.181 0.000 1.287 279 F CB 0.989 39.776 39.000 -0.355 0.000 1.132 279 F HN 0.079 8.379 8.300 0.000 0.000 0.587 280 T N 6.644 120.639 114.554 -0.931 0.000 2.916 280 T HA 0.316 4.668 4.350 0.004 0.000 0.298 280 T C 0.466 174.706 174.700 -0.767 0.000 1.031 280 T CA -0.746 61.008 62.100 -0.576 0.000 0.993 280 T CB 1.184 69.870 68.868 -0.304 0.000 1.045 280 T HN 0.755 8.995 8.240 0.000 0.000 0.454 281 M N 2.451 121.827 119.600 -0.373 0.000 2.618 281 M HA 0.097 4.580 4.480 0.004 0.000 0.240 281 M C 0.995 177.186 176.300 -0.182 0.000 1.123 281 M CA 0.248 55.405 55.300 -0.238 0.000 1.060 281 M CB 0.074 32.637 32.600 -0.061 0.000 1.535 281 M HN 0.613 8.903 8.290 0.000 0.000 0.507 282 D N 1.744 122.031 120.400 -0.189 0.000 2.117 282 D HA -0.154 4.489 4.640 0.004 0.000 0.197 282 D C 0.926 177.150 176.300 -0.127 0.000 0.987 282 D CA 1.521 55.445 54.000 -0.127 0.000 0.829 282 D CB -0.059 40.674 40.800 -0.112 0.000 0.961 282 D HN 0.538 8.908 8.370 0.000 0.000 0.460 283 D N -1.629 118.662 120.400 -0.181 0.000 2.602 283 D HA -0.014 4.629 4.640 0.004 0.000 0.265 283 D C 0.126 176.314 176.300 -0.185 0.000 1.454 283 D CA -0.195 53.720 54.000 -0.143 0.000 0.795 283 D CB 0.018 40.755 40.800 -0.105 0.000 1.140 283 D HN -0.201 8.169 8.370 0.000 0.000 0.486 284 M N 0.706 120.110 119.600 -0.325 0.000 2.298 284 M HA -0.161 4.322 4.480 0.004 0.000 0.196 284 M C -0.506 175.551 176.300 -0.405 0.000 0.531 284 M CA 0.696 55.762 55.300 -0.391 0.000 0.459 284 M CB -3.051 29.514 32.600 -0.060 0.000 1.279 284 M HN 0.501 8.791 8.290 0.000 0.000 0.915 285 S N -1.834 113.485 115.700 -0.635 0.000 2.661 285 S HA 0.801 5.274 4.470 0.004 0.000 0.285 285 S C -0.896 173.501 174.600 -0.340 0.000 1.138 285 S CA -0.911 57.120 58.200 -0.281 0.000 0.855 285 S CB 2.298 65.454 63.200 -0.074 0.000 1.136 285 S HN 0.473 8.783 8.310 0.000 0.000 0.484 286 W N 1.995 123.386 121.300 0.152 0.000 2.288 286 W HA 0.346 5.008 4.660 0.004 0.000 0.325 286 W C -0.551 176.015 176.519 0.078 0.000 1.019 286 W CA -0.474 57.008 57.345 0.229 0.000 1.403 286 W CB 1.145 30.859 29.460 0.424 0.000 1.226 286 W HN 0.567 8.747 8.180 0.000 0.000 0.391 287 T N 3.013 117.639 114.554 0.121 0.000 2.762 287 T HA 0.148 4.500 4.350 0.004 0.000 0.303 287 T C 0.446 175.105 174.700 -0.068 0.000 0.977 287 T CA -0.072 62.028 62.100 0.000 0.000 0.961 287 T CB 0.500 69.350 68.868 -0.030 0.000 0.944 287 T HN 0.368 8.608 8.240 0.000 0.000 0.481 288 C N 3.680 122.886 119.300 -0.157 0.000 2.647 288 C HA 0.710 5.172 4.460 0.004 0.000 0.296 288 C C 1.551 176.482 174.990 -0.098 0.000 1.403 288 C CA -0.442 58.338 59.018 -0.396 0.000 1.781 288 C CB -1.619 25.834 27.740 -0.478 0.000 2.464 288 C HN 1.191 9.421 8.230 0.000 0.000 0.559 289 G N 1.724 110.526 108.800 0.003 0.000 2.288 289 G HA2 0.019 3.981 3.960 0.004 0.000 0.227 289 G HA3 0.019 3.981 3.960 0.004 0.000 0.227 289 G C -0.756 174.183 174.900 0.064 0.000 1.339 289 G CA -0.368 44.765 45.100 0.055 0.000 1.057 289 G HN 0.293 8.583 8.290 0.000 0.000 0.470 290 N N 0.501 119.268 118.700 0.112 0.000 2.263 290 N HA 0.049 4.792 4.740 0.004 0.000 0.239 290 N C 1.087 176.597 175.510 -0.000 0.000 1.317 290 N CA 0.298 53.381 53.050 0.055 0.000 0.909 290 N CB 0.351 38.878 38.487 0.067 0.000 1.171 290 N HN 0.540 8.920 8.380 0.000 0.000 0.492 291 Q N -0.090 119.685 119.800 -0.042 0.000 2.173 291 Q HA -0.191 4.151 4.340 0.004 0.000 0.208 291 Q C 1.063 176.962 176.000 -0.167 0.000 0.989 291 Q CA 1.834 57.586 55.803 -0.086 0.000 0.872 291 Q CB -0.550 28.147 28.738 -0.070 0.000 0.909 291 Q HN 0.608 8.878 8.270 0.000 0.000 0.420 292 D N -0.628 119.632 120.400 -0.233 0.000 2.123 292 D HA -0.155 4.487 4.640 0.004 0.000 0.196 292 D C 0.697 176.572 176.300 -0.709 0.000 0.992 292 D CA 1.191 54.890 54.000 -0.503 0.000 0.833 292 D CB -0.201 40.175 40.800 -0.706 0.000 0.954 292 D HN 0.413 8.783 8.370 0.000 0.000 0.455 293 Y N -0.127 120.057 120.300 -0.192 0.000 2.756 293 Y HA 0.250 4.801 4.550 0.003 0.000 0.300 293 Y C 0.505 175.963 175.900 -0.737 0.000 1.113 293 Y CA -0.456 57.428 58.100 -0.360 0.000 1.291 293 Y CB 0.176 38.610 38.460 -0.043 0.000 1.175 293 Y HN -0.297 7.983 8.280 0.000 0.000 0.534 294 K N 1.132 121.231 120.400 -0.502 0.000 2.293 294 K HA 0.341 4.663 4.320 0.004 0.000 0.267 294 K C -1.641 174.758 176.600 -0.334 0.000 1.010 294 K CA -0.501 55.576 56.287 -0.350 0.000 0.875 294 K CB 0.534 32.950 32.500 -0.139 0.000 1.106 294 K HN 0.186 8.436 8.250 0.000 0.000 0.450 295 Y N 3.618 124.069 120.300 0.252 0.000 2.335 295 Y HA 0.394 4.947 4.550 0.004 0.000 0.339 295 Y C 0.386 176.514 175.900 0.381 0.000 0.987 295 Y CA -0.956 57.320 58.100 0.293 0.000 1.140 295 Y CB 1.324 39.967 38.460 0.306 0.000 1.173 295 Y HN 0.360 8.640 8.280 0.000 0.000 0.486 296 R N 0.990 121.732 120.500 0.404 0.000 2.923 296 R HA 0.438 4.780 4.340 0.004 0.000 0.252 296 R C 0.700 177.207 176.300 0.344 0.000 1.130 296 R CA -0.965 55.333 56.100 0.331 0.000 1.043 296 R CB 1.138 31.545 30.300 0.177 0.000 1.205 296 R HN 0.487 8.757 8.270 0.000 0.000 0.495 297 V N 0.870 120.957 119.914 0.289 0.000 2.380 297 V HA -0.294 3.828 4.120 0.004 0.000 0.251 297 V C 2.327 178.531 176.094 0.184 0.000 1.063 297 V CA 2.605 65.055 62.300 0.249 0.000 1.055 297 V CB -0.687 31.247 31.823 0.184 0.000 0.657 297 V HN 0.975 9.165 8.190 0.000 0.000 0.455 298 S N -0.408 115.383 115.700 0.151 0.000 2.399 298 S HA -0.233 4.239 4.470 0.004 0.000 0.231 298 S C 1.608 176.279 174.600 0.119 0.000 1.022 298 S CA 1.557 59.826 58.200 0.114 0.000 0.983 298 S CB -0.455 62.797 63.200 0.088 0.000 0.803 298 S HN 0.639 8.949 8.310 0.000 0.000 0.480 299 D N 1.379 121.874 120.400 0.157 0.000 2.183 299 D HA 0.028 4.671 4.640 0.004 0.000 0.203 299 D C 2.091 178.471 176.300 0.134 0.000 0.969 299 D CA 0.872 54.966 54.000 0.157 0.000 0.842 299 D CB -0.230 40.713 40.800 0.237 0.000 0.957 299 D HN 0.371 8.741 8.370 0.000 0.000 0.484 300 V N 1.590 121.594 119.914 0.149 0.000 2.427 300 V HA -0.195 3.928 4.120 0.004 0.000 0.248 300 V C 2.764 178.939 176.094 0.136 0.000 1.051 300 V CA 2.057 64.435 62.300 0.130 0.000 1.048 300 V CB -0.973 30.930 31.823 0.133 0.000 0.666 300 V HN 0.336 8.526 8.190 0.000 0.000 0.456 301 T N -1.737 112.887 114.554 0.116 0.000 2.904 301 T HA -0.175 4.177 4.350 0.004 0.000 0.267 301 T C 1.715 176.446 174.700 0.050 0.000 1.059 301 T CA 1.056 63.207 62.100 0.086 0.000 1.137 301 T CB -0.350 68.563 68.868 0.074 0.000 0.879 301 T HN 0.415 8.655 8.240 0.000 0.000 0.467 302 K N 1.250 121.684 120.400 0.056 0.000 2.504 302 K HA 0.287 4.609 4.320 0.004 0.000 0.195 302 K C 1.870 178.481 176.600 0.018 0.000 1.036 302 K CA 0.626 56.934 56.287 0.035 0.000 0.984 302 K CB -0.067 32.461 32.500 0.046 0.000 0.788 302 K HN 0.492 8.742 8.250 0.000 0.000 0.488 303 A N -0.074 122.759 122.820 0.021 0.000 2.387 303 A HA 0.336 4.659 4.320 0.004 0.000 0.234 303 A C 1.180 178.694 177.584 -0.116 0.000 1.253 303 A CA 0.448 52.477 52.037 -0.013 0.000 0.894 303 A CB 0.141 19.163 19.000 0.037 0.000 0.963 303 A HN 0.321 8.471 8.150 0.000 0.000 0.508 304 G N -1.139 107.590 108.800 -0.119 0.000 2.179 304 G HA2 -0.180 3.782 3.960 0.004 0.000 0.220 304 G HA3 -0.180 3.782 3.960 0.004 0.000 0.220 304 G C 0.113 174.835 174.900 -0.297 0.000 0.990 304 G CA 0.146 45.114 45.100 -0.221 0.000 0.646 304 G HN 0.600 8.890 8.290 0.000 0.000 0.517 305 H N 0.914 119.963 119.070 -0.036 0.000 2.488 305 H HA 0.697 5.256 4.556 0.004 0.000 0.347 305 H C 0.739 176.062 175.328 -0.009 0.000 1.174 305 H CA 0.561 56.589 56.048 -0.033 0.000 1.307 305 H CB 1.682 31.433 29.762 -0.019 0.000 1.517 305 H HN 0.502 8.782 8.280 0.000 0.000 0.554 306 S N 0.959 116.745 115.700 0.143 0.000 2.739 306 S HA 0.221 4.693 4.470 0.004 0.000 0.306 306 S C 1.205 175.853 174.600 0.080 0.000 1.115 306 S CA -0.896 57.354 58.200 0.083 0.000 0.985 306 S CB 1.088 64.318 63.200 0.050 0.000 1.133 306 S HN 0.382 8.692 8.310 0.000 0.000 0.541 307 L N 0.958 122.219 121.223 0.063 0.000 2.187 307 L HA -0.072 4.271 4.340 0.004 0.000 0.213 307 L C 2.369 179.269 176.870 0.049 0.000 1.100 307 L CA 1.712 56.588 54.840 0.060 0.000 0.765 307 L CB -1.802 40.288 42.059 0.052 0.000 0.904 307 L HN 0.830 9.060 8.230 0.000 0.000 0.437 308 E N -0.489 119.736 120.200 0.041 0.000 2.267 308 E HA -0.252 4.101 4.350 0.004 0.000 0.197 308 E C 1.978 178.592 176.600 0.024 0.000 0.998 308 E CA 0.976 57.394 56.400 0.030 0.000 0.830 308 E CB 0.037 29.752 29.700 0.026 0.000 0.751 308 E HN 0.303 8.663 8.360 0.000 0.000 0.491 309 L N -0.258 120.981 121.223 0.026 0.000 2.349 309 L HA 0.123 4.466 4.340 0.004 0.000 0.200 309 L C 1.847 178.726 176.870 0.015 0.000 1.064 309 L CA 0.872 55.710 54.840 -0.003 0.000 0.821 309 L CB 0.026 42.057 42.059 -0.047 0.000 1.027 309 L HN -0.008 8.222 8.230 0.000 0.000 0.476 310 I N 0.208 120.805 120.570 0.046 0.000 2.163 310 I HA -0.302 3.870 4.170 0.004 0.000 0.243 310 I C 2.482 178.661 176.117 0.103 0.000 1.085 310 I CA 1.885 63.242 61.300 0.095 0.000 1.347 310 I CB -0.458 37.614 38.000 0.119 0.000 1.044 310 I HN 0.469 8.679 8.210 0.000 0.000 0.408 311 E N 1.745 121.992 120.200 0.078 0.000 2.033 311 E HA -0.222 4.131 4.350 0.004 0.000 0.199 311 E C -0.541 176.098 176.600 0.067 0.000 1.011 311 E CA 1.924 58.366 56.400 0.070 0.000 0.815 311 E CB -0.801 28.931 29.700 0.054 0.000 0.755 311 E HN 0.313 8.673 8.360 0.000 0.000 0.451 312 P HA -0.140 4.280 4.420 0.000 0.000 0.221 312 P C 1.718 179.072 177.300 0.089 0.000 1.150 312 P CA 0.774 63.910 63.100 0.059 0.000 0.800 312 P CB -0.054 31.666 31.700 0.034 0.000 0.787 313 L N -0.115 121.158 121.223 0.083 0.000 2.046 313 L HA -0.106 4.236 4.340 0.004 0.000 0.208 313 L C 2.329 179.286 176.870 0.146 0.000 1.077 313 L CA 1.812 56.727 54.840 0.125 0.000 0.747 313 L CB -1.286 40.856 42.059 0.139 0.000 0.896 313 L HN -0.195 8.035 8.230 0.000 0.000 0.432 314 I N -0.226 120.400 120.570 0.093 0.000 2.252 314 I HA -0.268 3.904 4.170 0.004 0.000 0.245 314 I C 2.489 178.572 176.117 -0.058 0.000 1.102 314 I CA 1.261 62.543 61.300 -0.030 0.000 1.385 314 I CB -1.138 36.900 38.000 0.062 0.000 1.064 314 I HN 0.412 8.622 8.210 0.000 0.000 0.414 315 K N 0.461 120.877 120.400 0.026 0.000 2.097 315 K HA -0.230 4.092 4.320 0.004 0.000 0.206 315 K C 2.291 178.893 176.600 0.004 0.000 1.049 315 K CA 1.360 57.659 56.287 0.020 0.000 0.933 315 K CB -0.257 32.271 32.500 0.047 0.000 0.717 315 K HN 0.121 8.371 8.250 0.000 0.000 0.442 316 F N 1.915 121.813 119.950 -0.087 0.000 2.102 316 F HA -0.237 4.292 4.527 0.004 0.000 0.298 316 F C 2.279 177.988 175.800 -0.151 0.000 1.105 316 F CA 1.454 59.401 58.000 -0.089 0.000 1.239 316 F CB -0.137 38.825 39.000 -0.063 0.000 0.991 316 F HN 0.068 8.368 8.300 0.000 0.000 0.474 317 Q N 0.328 119.979 119.800 -0.249 0.000 2.061 317 Q HA -0.152 4.190 4.340 0.004 0.000 0.204 317 Q C 2.566 178.270 176.000 -0.494 0.000 0.984 317 Q CA 1.863 57.307 55.803 -0.598 0.000 0.846 317 Q CB -1.116 26.769 28.738 -1.423 0.000 0.902 317 Q HN 0.421 8.691 8.270 0.000 0.000 0.421 318 V N 0.464 120.188 119.914 -0.315 0.000 2.358 318 V HA -0.181 3.942 4.120 0.004 0.000 0.246 318 V C 2.353 178.375 176.094 -0.119 0.000 1.047 318 V CA 1.916 64.169 62.300 -0.079 0.000 1.035 318 V CB -1.244 30.582 31.823 0.005 0.000 0.658 318 V HN 0.450 8.640 8.190 0.000 0.000 0.452 319 G N -0.209 108.482 108.800 -0.182 0.000 2.440 319 G HA2 -0.258 3.705 3.960 0.004 0.000 0.218 319 G HA3 -0.258 3.705 3.960 0.004 0.000 0.218 319 G C 1.577 176.338 174.900 -0.232 0.000 1.154 319 G CA 1.176 46.168 45.100 -0.180 0.000 0.767 319 G HN 0.432 8.722 8.290 0.000 0.000 0.552 320 L N 0.348 121.338 121.223 -0.388 0.000 2.056 320 L HA 0.134 4.476 4.340 0.004 0.000 0.207 320 L C 2.607 179.381 176.870 -0.161 0.000 1.078 320 L CA 1.654 56.286 54.840 -0.348 0.000 0.749 320 L CB -0.366 41.367 42.059 -0.543 0.000 0.901 320 L HN -0.043 8.187 8.230 0.000 0.000 0.433 321 K N 0.260 120.589 120.400 -0.119 0.000 2.032 321 K HA -0.183 4.140 4.320 0.004 0.000 0.209 321 K C 1.982 178.576 176.600 -0.010 0.000 1.048 321 K CA 1.548 57.823 56.287 -0.020 0.000 0.927 321 K CB -0.265 32.270 32.500 0.058 0.000 0.712 321 K HN 0.418 8.668 8.250 0.000 0.000 0.441 322 K N 0.795 121.180 120.400 -0.024 0.000 2.515 322 K HA 0.006 4.328 4.320 0.004 0.000 0.196 322 K C 1.880 178.481 176.600 0.003 0.000 1.038 322 K CA 0.316 56.600 56.287 -0.005 0.000 0.967 322 K CB 0.010 32.504 32.500 -0.010 0.000 0.780 322 K HN 0.104 8.354 8.250 0.000 0.000 0.483 323 L N 0.337 121.551 121.223 -0.015 0.000 2.395 323 L HA -0.031 4.312 4.340 0.004 0.000 0.218 323 L C -0.244 176.660 176.870 0.056 0.000 1.130 323 L CA 0.325 55.164 54.840 -0.002 0.000 0.826 323 L CB -0.639 41.393 42.059 -0.045 0.000 0.941 323 L HN 0.352 8.582 8.230 0.000 0.000 0.451 324 N N 0.666 119.404 118.700 0.063 0.000 2.705 324 N HA -0.186 4.557 4.740 0.004 0.000 0.255 324 N C -0.401 175.228 175.510 0.199 0.000 1.008 324 N CA -0.158 52.962 53.050 0.116 0.000 0.742 324 N CB -1.203 37.366 38.487 0.137 0.000 0.906 324 N HN 0.251 8.631 8.380 0.000 0.000 0.541 325 L N 0.759 122.060 121.223 0.131 0.000 2.461 325 L HA 0.102 4.445 4.340 0.004 0.000 0.272 325 L C 1.314 178.350 176.870 0.277 0.000 1.197 325 L CA 0.050 54.985 54.840 0.158 0.000 0.836 325 L CB 0.266 42.375 42.059 0.084 0.000 1.105 325 L HN 0.327 8.557 8.230 0.000 0.000 0.477 326 H N 1.057 120.228 119.070 0.169 0.000 2.607 326 H HA -0.020 4.539 4.556 0.004 0.000 0.367 326 H C 0.568 175.928 175.328 0.054 0.000 1.181 326 H CA -0.481 55.651 56.048 0.141 0.000 1.402 326 H CB 1.414 31.325 29.762 0.248 0.000 1.474 326 H HN 0.657 8.937 8.280 0.000 0.000 0.596 327 E N 1.620 121.912 120.200 0.154 0.000 2.160 327 E HA -0.221 4.131 4.350 0.004 0.000 0.195 327 E C 1.139 177.759 176.600 0.034 0.000 0.991 327 E CA 1.297 57.749 56.400 0.087 0.000 0.810 327 E CB 0.215 29.981 29.700 0.109 0.000 0.742 327 E HN 0.595 8.955 8.360 0.000 0.000 0.466 328 E N 0.635 120.816 120.200 -0.032 0.000 2.085 328 E HA -0.201 4.152 4.350 0.004 0.000 0.194 328 E C 1.863 178.302 176.600 -0.269 0.000 0.994 328 E CA 1.611 57.863 56.400 -0.246 0.000 0.801 328 E CB -0.023 29.294 29.700 -0.638 0.000 0.743 328 E HN 0.365 8.725 8.360 0.000 0.000 0.453 329 E N -0.837 119.245 120.200 -0.195 0.000 2.107 329 E HA -0.182 4.170 4.350 0.004 0.000 0.191 329 E C 1.900 178.480 176.600 -0.033 0.000 0.982 329 E CA 0.986 57.321 56.400 -0.109 0.000 0.809 329 E CB -0.108 29.565 29.700 -0.045 0.000 0.756 329 E HN 0.320 8.680 8.360 0.000 0.000 0.459 330 H N 0.657 119.663 119.070 -0.106 0.000 2.293 330 H HA -0.125 4.433 4.556 0.004 0.000 0.300 330 H C 2.085 177.305 175.328 -0.180 0.000 1.082 330 H CA 2.139 58.104 56.048 -0.138 0.000 1.308 330 H CB -0.221 29.441 29.762 -0.166 0.000 1.375 330 H HN 0.106 8.386 8.280 0.000 0.000 0.495 331 V N -1.119 118.672 119.914 -0.204 0.000 2.515 331 V HA -0.125 3.997 4.120 0.004 0.000 0.250 331 V C 2.449 178.522 176.094 -0.035 0.000 1.058 331 V CA 1.717 63.900 62.300 -0.195 0.000 1.064 331 V CB -0.916 30.876 31.823 -0.051 0.000 0.675 331 V HN 0.363 8.553 8.190 0.000 0.000 0.461 332 L N -0.767 120.421 121.223 -0.059 0.000 2.093 332 L HA -0.047 4.296 4.340 0.004 0.000 0.208 332 L C 2.532 179.392 176.870 -0.018 0.000 1.085 332 L CA 1.515 56.341 54.840 -0.023 0.000 0.755 332 L CB -0.453 41.581 42.059 -0.041 0.000 0.904 332 L HN 0.382 8.612 8.230 0.000 0.000 0.435 333 L N -0.481 120.703 121.223 -0.064 0.000 2.046 333 L HA -0.212 4.131 4.340 0.004 0.000 0.208 333 L C 2.414 179.243 176.870 -0.068 0.000 1.077 333 L CA 1.807 56.610 54.840 -0.062 0.000 0.747 333 L CB -0.324 41.685 42.059 -0.083 0.000 0.896 333 L HN 0.179 8.409 8.230 0.000 0.000 0.432 334 M N -1.303 118.215 119.600 -0.136 0.000 2.132 334 M HA -0.158 4.324 4.480 0.004 0.000 0.263 334 M C 2.279 178.632 176.300 0.088 0.000 1.065 334 M CA 1.647 56.888 55.300 -0.098 0.000 1.122 334 M CB -0.581 31.831 32.600 -0.315 0.000 1.365 334 M HN 0.424 8.714 8.290 0.000 0.000 0.411 335 A N 0.705 123.623 122.820 0.164 0.000 1.902 335 A HA -0.128 4.194 4.320 0.004 0.000 0.217 335 A C 2.049 179.666 177.584 0.055 0.000 1.181 335 A CA 1.430 53.539 52.037 0.120 0.000 0.623 335 A CB -0.868 18.158 19.000 0.044 0.000 0.818 335 A HN 0.450 8.600 8.150 0.000 0.000 0.443 336 I N -0.834 119.761 120.570 0.041 0.000 2.286 336 I HA -0.278 3.894 4.170 0.004 0.000 0.248 336 I C 2.677 178.814 176.117 0.032 0.000 1.115 336 I CA 1.107 62.429 61.300 0.038 0.000 1.392 336 I CB -0.355 37.667 38.000 0.037 0.000 1.065 336 I HN 0.590 8.800 8.210 0.000 0.000 0.418 337 C N 1.281 120.594 119.300 0.022 0.000 2.432 337 C HA -0.140 4.322 4.460 0.004 0.000 0.277 337 C C 2.716 177.723 174.990 0.029 0.000 1.249 337 C CA 0.796 59.823 59.018 0.014 0.000 1.725 337 C CB -0.812 26.927 27.740 -0.001 0.000 2.028 337 C HN 0.408 8.638 8.230 0.000 0.000 0.477 338 I N 1.053 121.648 120.570 0.042 0.000 2.202 338 I HA -0.088 4.084 4.170 0.004 0.000 0.242 338 I C 1.109 177.286 176.117 0.101 0.000 1.091 338 I CA 1.195 62.529 61.300 0.056 0.000 1.368 338 I CB -0.356 37.657 38.000 0.021 0.000 1.058 338 I HN 0.090 8.300 8.210 0.000 0.000 0.410 339 V N 2.162 122.138 119.914 0.103 0.000 2.008 339 V HA 0.104 4.226 4.120 0.004 0.000 0.262 339 V C -0.004 176.133 176.094 0.071 0.000 1.580 339 V CA 0.054 62.428 62.300 0.122 0.000 1.515 339 V CB -1.003 30.895 31.823 0.126 0.000 1.474 339 V HN 0.169 8.359 8.190 0.000 0.000 0.504 340 S N 5.036 120.772 115.700 0.059 0.000 2.437 340 S HA 0.386 4.859 4.470 0.004 0.000 0.305 340 S C -1.312 173.304 174.600 0.028 0.000 1.109 340 S CA -0.965 57.257 58.200 0.036 0.000 1.099 340 S CB 1.957 65.173 63.200 0.026 0.000 1.004 340 S HN 0.455 8.765 8.310 0.000 0.000 0.475 341 P HA -0.025 4.395 4.420 0.000 0.000 0.233 341 P C -0.019 177.286 177.300 0.008 0.000 1.167 341 P CA 0.674 63.781 63.100 0.011 0.000 0.770 341 P CB -0.113 31.593 31.700 0.010 0.000 0.837 342 D N -0.148 120.258 120.400 0.010 0.000 3.072 342 D HA 0.085 4.727 4.640 0.004 0.000 0.250 342 D C 0.162 176.466 176.300 0.006 0.000 1.304 342 D CA -0.351 53.653 54.000 0.006 0.000 0.861 342 D CB -0.191 40.612 40.800 0.006 0.000 1.062 342 D HN -0.072 8.298 8.370 0.000 0.000 0.481 343 R N 1.669 122.173 120.500 0.007 0.000 2.514 343 R HA 0.425 4.767 4.340 0.004 0.000 0.301 343 R C -2.521 173.781 176.300 0.004 0.000 0.962 343 R CA -2.105 53.999 56.100 0.007 0.000 0.882 343 R CB 1.112 31.420 30.300 0.012 0.000 1.143 343 R HN 0.165 8.435 8.270 0.000 0.000 0.452 344 P HA 0.042 4.462 4.420 0.000 0.000 0.267 344 P C 0.513 177.813 177.300 -0.001 0.000 1.205 344 P CA 0.481 63.582 63.100 0.002 0.000 0.765 344 P CB 0.727 32.430 31.700 0.004 0.000 0.828 345 G N 1.875 110.673 108.800 -0.003 0.000 2.194 345 G HA2 -0.223 3.739 3.960 0.004 0.000 0.236 345 G HA3 -0.223 3.739 3.960 0.004 0.000 0.236 345 G C 0.097 174.991 174.900 -0.011 0.000 0.987 345 G CA 0.009 45.105 45.100 -0.007 0.000 0.635 345 G HN 0.722 9.012 8.290 0.000 0.000 0.520 346 V N -0.772 119.136 119.914 -0.011 0.000 2.740 346 V HA 0.639 4.761 4.120 0.004 0.000 0.303 346 V C 1.300 177.382 176.094 -0.020 0.000 1.054 346 V CA 1.084 63.373 62.300 -0.017 0.000 1.106 346 V CB 1.586 33.401 31.823 -0.013 0.000 0.957 346 V HN 0.395 8.585 8.190 0.000 0.000 0.486 347 Q N 2.205 121.988 119.800 -0.028 0.000 2.141 347 Q HA 0.070 4.412 4.340 0.004 0.000 0.194 347 Q C 1.066 177.050 176.000 -0.027 0.000 0.975 347 Q CA 1.508 57.294 55.803 -0.027 0.000 0.834 347 Q CB -0.052 28.666 28.738 -0.033 0.000 0.916 347 Q HN 0.960 9.230 8.270 0.000 0.000 0.484 348 D N 0.153 120.532 120.400 -0.035 0.000 2.639 348 D HA 0.292 4.935 4.640 0.004 0.000 0.233 348 D C 0.195 176.478 176.300 -0.028 0.000 1.161 348 D CA 0.272 54.252 54.000 -0.033 0.000 1.003 348 D CB 0.573 41.348 40.800 -0.041 0.000 1.034 348 D HN 0.395 8.765 8.370 0.000 0.000 0.514 349 A N 2.451 125.260 122.820 -0.019 0.000 1.972 349 A HA -0.074 4.249 4.320 0.004 0.000 0.219 349 A C 2.166 179.744 177.584 -0.010 0.000 1.169 349 A CA 1.671 53.701 52.037 -0.012 0.000 0.635 349 A CB -0.285 18.711 19.000 -0.007 0.000 0.810 349 A HN 0.515 8.665 8.150 0.000 0.000 0.446 350 A N -0.443 122.370 122.820 -0.011 0.000 1.877 350 A HA -0.039 4.283 4.320 0.004 0.000 0.216 350 A C 2.123 179.701 177.584 -0.011 0.000 1.186 350 A CA 1.756 53.787 52.037 -0.009 0.000 0.620 350 A CB -0.603 18.392 19.000 -0.010 0.000 0.822 350 A HN 0.674 8.824 8.150 0.000 0.000 0.443 351 L N 0.088 121.299 121.223 -0.018 0.000 2.027 351 L HA -0.076 4.266 4.340 0.004 0.000 0.206 351 L C 2.228 179.086 176.870 -0.019 0.000 1.074 351 L CA 1.687 56.513 54.840 -0.023 0.000 0.745 351 L CB -0.507 41.530 42.059 -0.036 0.000 0.898 351 L HN 0.443 8.673 8.230 0.000 0.000 0.433 352 I N -0.512 120.046 120.570 -0.020 0.000 2.208 352 I HA -0.302 3.871 4.170 0.004 0.000 0.245 352 I C 2.514 178.637 176.117 0.009 0.000 1.097 352 I CA 1.688 62.983 61.300 -0.008 0.000 1.363 352 I CB -0.403 37.592 38.000 -0.008 0.000 1.051 352 I HN 0.439 8.649 8.210 0.000 0.000 0.413 353 E N 1.183 121.387 120.200 0.006 0.000 2.106 353 E HA -0.213 4.140 4.350 0.004 0.000 0.192 353 E C 2.285 178.892 176.600 0.013 0.000 0.984 353 E CA 1.135 57.543 56.400 0.013 0.000 0.806 353 E CB 0.025 29.730 29.700 0.009 0.000 0.750 353 E HN 0.489 8.849 8.360 0.000 0.000 0.458 354 A N 0.972 123.796 122.820 0.006 0.000 1.898 354 A HA -0.144 4.179 4.320 0.004 0.000 0.216 354 A C 2.110 179.700 177.584 0.010 0.000 1.181 354 A CA 1.134 53.175 52.037 0.005 0.000 0.620 354 A CB -0.512 18.487 19.000 -0.001 0.000 0.819 354 A HN 0.301 8.451 8.150 0.000 0.000 0.442 355 I N -0.832 119.745 120.570 0.011 0.000 2.252 355 I HA -0.272 3.901 4.170 0.004 0.000 0.245 355 I C 2.794 178.928 176.117 0.028 0.000 1.102 355 I CA 1.661 62.973 61.300 0.019 0.000 1.385 355 I CB -0.366 37.649 38.000 0.026 0.000 1.064 355 I HN 0.503 8.713 8.210 0.000 0.000 0.414 356 Q N 0.876 120.696 119.800 0.033 0.000 2.084 356 Q HA -0.240 4.103 4.340 0.004 0.000 0.202 356 Q C 1.656 177.680 176.000 0.040 0.000 0.978 356 Q CA 1.740 57.567 55.803 0.040 0.000 0.844 356 Q CB 0.086 28.849 28.738 0.042 0.000 0.898 356 Q HN 0.437 8.707 8.270 0.000 0.000 0.426 357 D N -0.032 120.387 120.400 0.032 0.000 2.144 357 D HA -0.175 4.467 4.640 0.004 0.000 0.199 357 D C 1.822 178.134 176.300 0.021 0.000 0.984 357 D CA 0.961 54.978 54.000 0.029 0.000 0.834 357 D CB -0.218 40.594 40.800 0.020 0.000 0.955 357 D HN 0.255 8.625 8.370 0.000 0.000 0.465 358 R N 0.352 120.863 120.500 0.017 0.000 2.096 358 R HA -0.060 4.282 4.340 0.004 0.000 0.235 358 R C 2.297 178.606 176.300 0.016 0.000 1.127 358 R CA 0.778 56.885 56.100 0.012 0.000 0.968 358 R CB -0.167 30.139 30.300 0.010 0.000 0.861 358 R HN 0.179 8.449 8.270 0.000 0.000 0.440 359 L N -0.247 120.990 121.223 0.023 0.000 2.072 359 L HA -0.069 4.273 4.340 0.004 0.000 0.205 359 L C 2.444 179.340 176.870 0.043 0.000 1.079 359 L CA 1.065 55.921 54.840 0.027 0.000 0.752 359 L CB -0.267 41.809 42.059 0.029 0.000 0.906 359 L HN 0.164 8.394 8.230 0.000 0.000 0.436 360 S N 0.041 115.776 115.700 0.059 0.000 2.368 360 S HA -0.123 4.350 4.470 0.004 0.000 0.224 360 S C 1.743 176.345 174.600 0.003 0.000 1.029 360 S CA 1.130 59.388 58.200 0.096 0.000 0.988 360 S CB -0.314 62.968 63.200 0.137 0.000 0.838 360 S HN 0.430 8.740 8.310 0.000 0.000 0.462 361 N N 1.215 119.906 118.700 -0.016 0.000 2.166 361 N HA -0.050 4.692 4.740 0.004 0.000 0.186 361 N C 1.735 177.227 175.510 -0.031 0.000 1.019 361 N CA 1.302 54.321 53.050 -0.051 0.000 0.856 361 N CB -0.773 37.697 38.487 -0.028 0.000 0.993 361 N HN 0.347 8.727 8.380 0.000 0.000 0.426 362 T N 1.768 116.325 114.554 0.005 0.000 2.708 362 T HA -0.089 4.264 4.350 0.004 0.000 0.266 362 T C 1.978 176.715 174.700 0.062 0.000 1.037 362 T CA 0.565 62.685 62.100 0.034 0.000 1.146 362 T CB -0.306 68.581 68.868 0.032 0.000 0.865 362 T HN 0.087 8.327 8.240 0.000 0.000 0.435 363 L N 1.208 122.460 121.223 0.049 0.000 2.017 363 L HA -0.075 4.267 4.340 0.004 0.000 0.208 363 L C 2.448 179.351 176.870 0.054 0.000 1.073 363 L CA 1.788 56.678 54.840 0.082 0.000 0.745 363 L CB -0.808 41.327 42.059 0.127 0.000 0.894 363 L HN 0.236 8.466 8.230 0.000 0.000 0.432 364 Q N -1.199 118.528 119.800 -0.121 0.000 2.096 364 Q HA -0.195 4.147 4.340 0.004 0.000 0.204 364 Q C 1.989 177.927 176.000 -0.103 0.000 0.982 364 Q CA 2.331 57.970 55.803 -0.273 0.000 0.850 364 Q CB -0.291 28.143 28.738 -0.506 0.000 0.901 364 Q HN 0.576 8.846 8.270 0.000 0.000 0.422 365 T N 0.064 114.590 114.554 -0.046 0.000 2.777 365 T HA -0.188 4.165 4.350 0.004 0.000 0.266 365 T C 1.443 176.158 174.700 0.025 0.000 1.040 365 T CA 1.272 63.365 62.100 -0.012 0.000 1.141 365 T CB -0.448 68.423 68.868 0.005 0.000 0.868 365 T HN 0.367 8.607 8.240 0.000 0.000 0.444 366 Y N 1.699 121.989 120.300 -0.016 0.000 2.145 366 Y HA -0.104 4.448 4.550 0.004 0.000 0.286 366 Y C 2.030 177.942 175.900 0.020 0.000 1.145 366 Y CA 0.990 59.099 58.100 0.016 0.000 1.148 366 Y CB -0.493 37.984 38.460 0.029 0.000 0.981 366 Y HN 0.153 8.433 8.280 0.000 0.000 0.507 367 I N 0.056 120.713 120.570 0.145 0.000 2.163 367 I HA -0.350 3.823 4.170 0.004 0.000 0.243 367 I C 2.491 178.598 176.117 -0.016 0.000 1.085 367 I CA 1.646 62.981 61.300 0.058 0.000 1.347 367 I CB -0.435 37.587 38.000 0.036 0.000 1.044 367 I HN 0.197 8.407 8.210 0.000 0.000 0.408 368 R N 0.239 120.718 120.500 -0.034 0.000 2.115 368 R HA -0.153 4.189 4.340 0.004 0.000 0.230 368 R C 2.172 178.442 176.300 -0.050 0.000 1.111 368 R CA 1.764 57.843 56.100 -0.034 0.000 0.976 368 R CB -0.305 29.971 30.300 -0.040 0.000 0.870 368 R HN 0.593 8.863 8.270 0.000 0.000 0.445 369 C N -2.508 116.733 119.300 -0.098 0.000 3.183 369 C HA 0.433 4.896 4.460 0.004 0.000 0.285 369 C C 1.510 176.406 174.990 -0.156 0.000 1.313 369 C CA -0.712 58.244 59.018 -0.103 0.000 1.711 369 C CB -0.010 27.680 27.740 -0.083 0.000 2.135 369 C HN 0.247 8.477 8.230 0.000 0.000 0.651 370 R N -1.141 119.202 120.500 -0.263 0.000 2.544 370 R HA 0.172 4.514 4.340 0.004 0.000 0.303 370 R C -0.530 175.706 176.300 -0.106 0.000 0.939 370 R CA -0.133 55.793 56.100 -0.289 0.000 1.102 370 R CB 0.077 29.974 30.300 -0.672 0.000 1.440 370 R HN 0.536 8.806 8.270 0.000 0.000 0.532 371 H N 3.035 122.008 119.070 -0.162 0.000 2.597 371 H HA 0.241 4.799 4.556 0.004 0.000 0.303 371 H C -2.215 173.113 175.328 0.001 0.000 1.057 371 H CA -2.038 53.970 56.048 -0.068 0.000 1.261 371 H CB 1.072 30.741 29.762 -0.155 0.000 1.397 371 H HN -0.098 8.182 8.280 0.000 0.000 0.461 372 P HA 0.121 4.541 4.420 0.000 0.000 0.275 372 P C -2.775 174.520 177.300 -0.009 0.000 1.228 372 P CA -1.457 61.606 63.100 -0.062 0.000 0.786 372 P CB 1.060 32.718 31.700 -0.071 0.000 0.927 373 P HA 0.206 4.626 4.420 0.000 0.000 0.276 373 P C -1.656 175.670 177.300 0.043 0.000 1.252 373 P CA -1.293 61.848 63.100 0.068 0.000 0.802 373 P CB -0.318 31.412 31.700 0.051 0.000 1.035 374 P HA 0.097 4.517 4.420 0.000 0.000 0.257 374 P C 1.335 178.721 177.300 0.142 0.000 1.281 374 P CA 0.281 63.426 63.100 0.076 0.000 0.826 374 P CB -0.382 31.334 31.700 0.027 0.000 1.237 375 G N 1.436 110.338 108.800 0.169 0.000 2.559 375 G HA2 -0.163 3.800 3.960 0.004 0.000 0.216 375 G HA3 -0.163 3.800 3.960 0.004 0.000 0.216 375 G C 1.478 176.570 174.900 0.320 0.000 1.126 375 G CA 0.818 46.075 45.100 0.260 0.000 0.778 375 G HN 0.472 8.762 8.290 0.000 0.000 0.543 376 S N -0.639 115.269 115.700 0.347 0.000 2.503 376 S HA 0.054 4.527 4.470 0.004 0.000 0.217 376 S C 0.978 175.652 174.600 0.124 0.000 0.999 376 S CA -0.377 57.964 58.200 0.235 0.000 0.914 376 S CB -0.238 63.119 63.200 0.263 0.000 0.782 376 S HN 0.416 8.726 8.310 0.000 0.000 0.520 377 H N 3.198 122.304 119.070 0.059 0.000 3.184 377 H HA 0.184 4.742 4.556 0.004 0.000 0.274 377 H C 0.701 176.043 175.328 0.023 0.000 0.962 377 H CA 0.235 56.304 56.048 0.036 0.000 1.441 377 H CB -0.819 28.963 29.762 0.033 0.000 1.518 377 H HN 0.343 8.623 8.280 0.000 0.000 0.539 378 L N 3.828 124.849 121.223 -0.336 0.000 3.976 378 L HA -0.327 4.016 4.340 0.004 0.000 0.418 378 L C 1.388 178.183 176.870 -0.125 0.000 1.177 378 L CA 0.290 54.966 54.840 -0.273 0.000 0.968 378 L CB -1.522 40.270 42.059 -0.444 0.000 1.933 378 L HN 0.511 8.741 8.230 0.000 0.000 0.976 379 L N -0.097 121.081 121.223 -0.076 0.000 2.046 379 L HA -0.202 4.140 4.340 0.004 0.000 0.208 379 L C 2.246 179.090 176.870 -0.044 0.000 1.077 379 L CA 2.397 57.185 54.840 -0.088 0.000 0.747 379 L CB -0.538 41.407 42.059 -0.189 0.000 0.896 379 L HN 0.415 8.645 8.230 0.000 0.000 0.432 380 Y N 0.352 120.586 120.300 -0.110 0.000 2.128 380 Y HA -0.245 4.307 4.550 0.004 0.000 0.284 380 Y C 2.403 178.264 175.900 -0.065 0.000 1.154 380 Y CA 1.879 59.933 58.100 -0.077 0.000 1.149 380 Y CB -0.728 37.698 38.460 -0.057 0.000 0.976 380 Y HN 0.266 8.546 8.280 0.000 0.000 0.505 381 A N 0.218 122.980 122.820 -0.096 0.000 1.902 381 A HA -0.205 4.117 4.320 0.004 0.000 0.217 381 A C 2.222 179.701 177.584 -0.174 0.000 1.181 381 A CA 1.991 53.930 52.037 -0.163 0.000 0.623 381 A CB -0.558 18.398 19.000 -0.073 0.000 0.818 381 A HN 0.536 8.686 8.150 0.000 0.000 0.443 382 K N -0.937 119.383 120.400 -0.134 0.000 2.097 382 K HA -0.018 4.305 4.320 0.004 0.000 0.205 382 K C 2.046 178.569 176.600 -0.128 0.000 1.050 382 K CA 1.526 57.747 56.287 -0.110 0.000 0.938 382 K CB -0.254 32.194 32.500 -0.086 0.000 0.718 382 K HN 0.508 8.758 8.250 0.000 0.000 0.442 383 M N 0.420 119.920 119.600 -0.167 0.000 2.132 383 M HA -0.120 4.363 4.480 0.004 0.000 0.263 383 M C 1.912 178.099 176.300 -0.188 0.000 1.065 383 M CA 1.122 56.326 55.300 -0.160 0.000 1.122 383 M CB -0.148 32.360 32.600 -0.154 0.000 1.365 383 M HN 0.068 8.358 8.290 0.000 0.000 0.411 384 I N 0.276 120.656 120.570 -0.316 0.000 2.394 384 I HA -0.231 3.942 4.170 0.004 0.000 0.251 384 I C 2.423 178.457 176.117 -0.140 0.000 1.136 384 I CA 1.455 62.586 61.300 -0.282 0.000 1.425 384 I CB -1.282 36.473 38.000 -0.409 0.000 1.079 384 I HN 0.352 8.562 8.210 0.000 0.000 0.425 385 Q N 1.484 121.215 119.800 -0.115 0.000 2.167 385 Q HA -0.162 4.180 4.340 0.004 0.000 0.202 385 Q C 1.991 177.993 176.000 0.005 0.000 0.970 385 Q CA 1.516 57.288 55.803 -0.051 0.000 0.855 385 Q CB -0.011 28.699 28.738 -0.047 0.000 0.911 385 Q HN 0.180 8.450 8.270 0.000 0.000 0.438 386 K N 0.074 120.484 120.400 0.016 0.000 2.148 386 K HA -0.032 4.291 4.320 0.004 0.000 0.204 386 K C 1.997 178.699 176.600 0.171 0.000 1.050 386 K CA 0.848 57.226 56.287 0.152 0.000 0.942 386 K CB -0.353 32.206 32.500 0.098 0.000 0.724 386 K HN 0.333 8.583 8.250 0.000 0.000 0.446 387 L N 0.358 121.612 121.223 0.051 0.000 2.141 387 L HA -0.125 4.217 4.340 0.004 0.000 0.209 387 L C 2.468 179.338 176.870 0.000 0.000 1.094 387 L CA 1.059 55.910 54.840 0.017 0.000 0.763 387 L CB -0.567 41.480 42.059 -0.019 0.000 0.908 387 L HN 0.080 8.310 8.230 0.000 0.000 0.437 388 A N -0.064 122.756 122.820 0.000 0.000 1.897 388 A HA -0.197 4.126 4.320 0.004 0.000 0.215 388 A C 1.888 179.470 177.584 -0.004 0.000 1.181 388 A CA 1.690 53.723 52.037 -0.007 0.000 0.620 388 A CB -0.441 18.554 19.000 -0.008 0.000 0.821 388 A HN 0.309 8.459 8.150 0.000 0.000 0.443 389 D N 0.254 120.673 120.400 0.031 0.000 2.123 389 D HA -0.145 4.497 4.640 0.004 0.000 0.196 389 D C 1.863 178.105 176.300 -0.097 0.000 0.992 389 D CA 1.026 55.044 54.000 0.031 0.000 0.833 389 D CB -0.393 40.524 40.800 0.195 0.000 0.954 389 D HN 0.444 8.814 8.370 0.000 0.000 0.455 390 L N 0.445 121.582 121.223 -0.143 0.000 2.083 390 L HA -0.149 4.193 4.340 0.004 0.000 0.209 390 L C 2.491 179.264 176.870 -0.162 0.000 1.083 390 L CA 0.847 55.525 54.840 -0.270 0.000 0.752 390 L CB -0.161 41.774 42.059 -0.207 0.000 0.899 390 L HN -0.049 8.181 8.230 0.000 0.000 0.433 391 R N -0.371 120.076 120.500 -0.088 0.000 2.081 391 R HA -0.090 4.253 4.340 0.004 0.000 0.235 391 R C 2.399 178.666 176.300 -0.056 0.000 1.131 391 R CA 1.413 57.479 56.100 -0.057 0.000 0.960 391 R CB -1.030 29.251 30.300 -0.032 0.000 0.856 391 R HN 0.312 8.582 8.270 0.000 0.000 0.436 392 S N 1.376 117.041 115.700 -0.059 0.000 2.368 392 S HA -0.011 4.461 4.470 0.004 0.000 0.224 392 S C 2.145 176.706 174.600 -0.065 0.000 1.029 392 S CA 0.827 58.999 58.200 -0.047 0.000 0.988 392 S CB -0.191 62.988 63.200 -0.034 0.000 0.838 392 S HN 0.184 8.494 8.310 0.000 0.000 0.462 393 L N 1.940 123.094 121.223 -0.116 0.000 2.083 393 L HA -0.136 4.206 4.340 0.004 0.000 0.209 393 L C 2.563 179.373 176.870 -0.101 0.000 1.083 393 L CA 0.957 55.713 54.840 -0.139 0.000 0.752 393 L CB -0.661 41.238 42.059 -0.267 0.000 0.899 393 L HN 0.309 8.539 8.230 0.000 0.000 0.433 394 N N 0.251 118.890 118.700 -0.100 0.000 2.043 394 N HA -0.218 4.525 4.740 0.004 0.000 0.193 394 N C 1.742 177.255 175.510 0.005 0.000 1.037 394 N CA 1.564 54.584 53.050 -0.050 0.000 0.851 394 N CB 0.013 38.473 38.487 -0.044 0.000 1.027 394 N HN 0.246 8.626 8.380 0.000 0.000 0.422 395 E N 0.577 120.772 120.200 -0.009 0.000 2.077 395 E HA -0.190 4.162 4.350 0.004 0.000 0.193 395 E C 1.776 178.375 176.600 -0.001 0.000 0.989 395 E CA 0.902 57.303 56.400 0.001 0.000 0.800 395 E CB -0.344 29.354 29.700 -0.005 0.000 0.746 395 E HN 0.494 8.854 8.360 0.000 0.000 0.452 396 E N 0.546 120.741 120.200 -0.009 0.000 2.106 396 E HA -0.182 4.170 4.350 0.004 0.000 0.192 396 E C 2.074 178.664 176.600 -0.017 0.000 0.984 396 E CA 1.175 57.568 56.400 -0.012 0.000 0.806 396 E CB -0.337 29.353 29.700 -0.016 0.000 0.750 396 E HN 0.382 8.742 8.360 0.000 0.000 0.458 397 H N -0.496 118.508 119.070 -0.111 0.000 2.353 397 H HA -0.059 4.499 4.556 0.004 0.000 0.300 397 H C 2.012 177.296 175.328 -0.074 0.000 1.090 397 H CA 1.706 57.662 56.048 -0.153 0.000 1.327 397 H CB -0.134 29.461 29.762 -0.278 0.000 1.383 397 H HN 0.258 8.538 8.280 0.000 0.000 0.508 398 S N 0.139 115.789 115.700 -0.084 0.000 2.359 398 S HA -0.129 4.344 4.470 0.004 0.000 0.224 398 S C 2.115 176.676 174.600 -0.065 0.000 1.035 398 S CA 1.528 59.689 58.200 -0.066 0.000 1.018 398 S CB -0.057 63.160 63.200 0.028 0.000 0.876 398 S HN 0.500 8.810 8.310 0.000 0.000 0.448 399 K N 0.452 120.821 120.400 -0.051 0.000 2.032 399 K HA -0.113 4.209 4.320 0.004 0.000 0.209 399 K C 2.571 179.117 176.600 -0.089 0.000 1.048 399 K CA 1.642 57.900 56.287 -0.048 0.000 0.927 399 K CB -0.249 32.236 32.500 -0.024 0.000 0.712 399 K HN 0.505 8.755 8.250 0.000 0.000 0.441 400 Q N -0.439 119.309 119.800 -0.087 0.000 2.119 400 Q HA -0.175 4.167 4.340 0.004 0.000 0.201 400 Q C 1.958 177.834 176.000 -0.207 0.000 0.972 400 Q CA 1.298 57.047 55.803 -0.090 0.000 0.847 400 Q CB -0.134 28.657 28.738 0.089 0.000 0.903 400 Q HN 0.377 8.647 8.270 0.000 0.000 0.433 401 Y N 1.476 121.557 120.300 -0.365 0.000 2.181 401 Y HA -0.246 4.306 4.550 0.004 0.000 0.288 401 Y C 2.439 178.127 175.900 -0.354 0.000 1.146 401 Y CA 1.686 59.544 58.100 -0.404 0.000 1.164 401 Y CB -0.057 38.105 38.460 -0.497 0.000 0.982 401 Y HN -0.081 8.199 8.280 0.000 0.000 0.515 402 R N -0.240 120.107 120.500 -0.254 0.000 2.094 402 R HA -0.262 4.081 4.340 0.004 0.000 0.239 402 R C 2.637 178.395 176.300 -0.902 0.000 1.137 402 R CA 2.023 57.849 56.100 -0.456 0.000 0.943 402 R CB -1.293 28.844 30.300 -0.270 0.000 0.850 402 R HN 0.622 8.892 8.270 0.000 0.000 0.433 403 C N 0.593 119.527 119.300 -0.611 0.000 2.413 403 C HA -0.106 4.356 4.460 0.004 0.000 0.276 403 C C 2.617 177.336 174.990 -0.452 0.000 1.236 403 C CA 0.924 59.648 59.018 -0.489 0.000 1.735 403 C CB -1.223 26.407 27.740 -0.183 0.000 2.031 403 C HN 0.669 8.899 8.230 0.000 0.000 0.474 404 L N 2.473 123.414 121.223 -0.469 0.000 2.079 404 L HA -0.073 4.269 4.340 0.004 0.000 0.210 404 L C 2.825 179.430 176.870 -0.441 0.000 1.081 404 L CA 2.897 57.478 54.840 -0.432 0.000 0.752 404 L CB -0.869 40.871 42.059 -0.532 0.000 0.896 404 L HN 0.634 8.864 8.230 0.000 0.000 0.433 405 S N -1.648 113.665 115.700 -0.646 0.000 2.469 405 S HA -0.156 4.316 4.470 0.004 0.000 0.238 405 S C 1.915 176.400 174.600 -0.190 0.000 0.998 405 S CA 0.931 58.836 58.200 -0.493 0.000 0.957 405 S CB -1.219 61.635 63.200 -0.577 0.000 0.764 405 S HN 0.547 8.857 8.310 0.000 0.000 0.514 406 F N 0.870 120.724 119.950 -0.159 0.000 2.661 406 F HA 0.191 4.720 4.527 0.004 0.000 0.298 406 F C 1.564 177.309 175.800 -0.091 0.000 1.137 406 F CA -0.308 57.631 58.000 -0.102 0.000 1.454 406 F CB -0.041 38.907 39.000 -0.086 0.000 1.103 406 F HN 0.267 8.567 8.300 0.000 0.000 0.577 407 Q N 2.212 122.045 119.800 0.055 0.000 2.286 407 Q HA 0.160 4.503 4.340 0.004 0.000 0.267 407 Q C -2.426 173.575 176.000 0.002 0.000 1.028 407 Q CA -2.018 53.790 55.803 0.009 0.000 0.901 407 Q CB 0.611 29.323 28.738 -0.043 0.000 1.183 407 Q HN -0.102 8.168 8.270 0.000 0.000 0.392 408 P HA -0.058 4.362 4.420 0.000 0.000 0.265 408 P C -0.710 176.586 177.300 -0.007 0.000 1.193 408 P CA 0.518 63.619 63.100 0.002 0.000 0.765 408 P CB 0.568 32.267 31.700 -0.001 0.000 0.823 409 E N -0.892 119.306 120.200 -0.005 0.000 3.801 409 E HA -0.262 4.090 4.350 0.004 0.000 0.319 409 E C 1.089 177.680 176.600 -0.014 0.000 0.784 409 E CA 0.678 57.074 56.400 -0.006 0.000 1.183 409 E CB -2.230 27.467 29.700 -0.005 0.000 1.601 409 E HN 0.580 8.940 8.360 0.000 0.000 0.441 410 C N 1.184 120.468 119.300 -0.027 0.000 2.425 410 C HA -0.144 4.318 4.460 0.004 0.000 0.277 410 C C 3.054 178.024 174.990 -0.033 0.000 1.280 410 C CA 1.761 60.750 59.018 -0.049 0.000 1.744 410 C CB -1.121 26.562 27.740 -0.095 0.000 1.989 410 C HN 0.709 8.939 8.230 0.000 0.000 0.491 411 S N 0.806 116.496 115.700 -0.016 0.000 2.387 411 S HA -0.237 4.236 4.470 0.004 0.000 0.230 411 S C 1.750 176.357 174.600 0.012 0.000 1.035 411 S CA 2.105 60.309 58.200 0.007 0.000 1.014 411 S CB -0.727 62.482 63.200 0.016 0.000 0.836 411 S HN 0.712 9.022 8.310 0.000 0.000 0.466 412 M N 0.911 120.514 119.600 0.006 0.000 2.374 412 M HA 0.047 4.530 4.480 0.004 0.000 0.264 412 M C 1.932 178.237 176.300 0.008 0.000 1.067 412 M CA 1.186 56.491 55.300 0.009 0.000 1.103 412 M CB -0.379 32.225 32.600 0.007 0.000 1.402 412 M HN 0.305 8.595 8.290 0.000 0.000 0.444 413 K N 0.039 120.441 120.400 0.003 0.000 2.426 413 K HA 0.208 4.531 4.320 0.004 0.000 0.193 413 K C 0.770 177.373 176.600 0.006 0.000 1.028 413 K CA 0.186 56.474 56.287 0.002 0.000 1.047 413 K CB 0.362 32.856 32.500 -0.009 0.000 0.821 413 K HN 0.292 8.542 8.250 0.000 0.000 0.513 414 L N -0.281 120.953 121.223 0.018 0.000 2.935 414 L HA 0.338 4.681 4.340 0.004 0.000 0.214 414 L C 0.677 177.560 176.870 0.023 0.000 1.574 414 L CA -0.756 54.109 54.840 0.041 0.000 1.628 414 L CB 0.815 42.930 42.059 0.094 0.000 2.455 414 L HN -0.003 8.227 8.230 0.000 0.000 0.578 415 T N -4.944 109.629 114.554 0.031 0.000 2.883 415 T HA 0.374 4.727 4.350 0.004 0.000 0.301 415 T C -2.511 172.196 174.700 0.011 0.000 1.158 415 T CA -1.566 60.538 62.100 0.006 0.000 1.007 415 T CB 1.829 70.682 68.868 -0.025 0.000 1.186 415 T HN 0.108 8.348 8.240 0.000 0.000 0.499 416 P HA -0.043 4.377 4.420 0.000 0.000 0.216 416 P C 1.664 178.947 177.300 -0.028 0.000 1.150 416 P CA 0.363 63.461 63.100 -0.005 0.000 0.837 416 P CB 0.038 31.734 31.700 -0.007 0.000 0.786 417 L N -0.695 120.500 121.223 -0.047 0.000 2.056 417 L HA -0.112 4.230 4.340 0.004 0.000 0.207 417 L C 2.157 178.943 176.870 -0.141 0.000 1.078 417 L CA 1.837 56.622 54.840 -0.091 0.000 0.749 417 L CB -1.167 40.837 42.059 -0.093 0.000 0.901 417 L HN -0.185 8.045 8.230 0.000 0.000 0.433 418 V N -0.456 119.407 119.914 -0.085 0.000 2.358 418 V HA -0.284 3.838 4.120 0.004 0.000 0.246 418 V C 2.580 178.663 176.094 -0.019 0.000 1.047 418 V CA 1.854 64.121 62.300 -0.056 0.000 1.035 418 V CB -0.458 31.439 31.823 0.123 0.000 0.658 418 V HN 0.424 8.614 8.190 0.000 0.000 0.452 419 L N -0.199 121.058 121.223 0.056 0.000 2.042 419 L HA -0.219 4.123 4.340 0.004 0.000 0.210 419 L C 2.626 179.505 176.870 0.016 0.000 1.076 419 L CA 2.064 56.972 54.840 0.114 0.000 0.749 419 L CB -0.510 41.605 42.059 0.092 0.000 0.893 419 L HN 0.447 8.677 8.230 0.000 0.000 0.432 420 E N 0.068 120.232 120.200 -0.060 0.000 2.028 420 E HA -0.177 4.176 4.350 0.004 0.000 0.191 420 E C 2.243 178.736 176.600 -0.177 0.000 0.988 420 E CA 1.443 57.789 56.400 -0.090 0.000 0.799 420 E CB 0.134 29.782 29.700 -0.088 0.000 0.755 420 E HN 0.248 8.608 8.360 0.000 0.000 0.447 421 V N 0.358 120.069 119.914 -0.340 0.000 2.343 421 V HA -0.228 3.895 4.120 0.004 0.000 0.247 421 V C 1.868 177.610 176.094 -0.587 0.000 1.051 421 V CA 1.782 63.751 62.300 -0.551 0.000 1.036 421 V CB -0.486 30.796 31.823 -0.901 0.000 0.654 421 V HN 0.298 8.488 8.190 0.000 0.000 0.451 422 F N -0.259 119.518 119.950 -0.289 0.000 2.721 422 F HA 0.410 4.939 4.527 0.004 0.000 0.301 422 F C 1.678 177.278 175.800 -0.333 0.000 1.096 422 F CA 0.070 57.767 58.000 -0.504 0.000 1.308 422 F CB -0.144 38.135 39.000 -1.202 0.000 1.086 422 F HN 0.196 8.496 8.300 0.000 0.000 0.587 423 G N 0.000 108.806 108.800 0.011 0.000 5.446 423 G HA2 0.000 3.962 3.960 0.004 0.000 0.244 423 G HA3 0.000 3.962 3.960 0.004 0.000 0.244 423 G CA 0.000 45.185 45.100 0.141 0.000 0.502 423 G HN 0.000 8.290 8.290 0.000 0.000 0.925