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 2kxp_1_B DATA FIRST_RESID 302 DATA SEQUENCE SDQQLDCALD LMRRLPPQQI EKNLSDLIDL VPSLCEDLLS SVDQPLKIAR DATA SEQUENCE DKVVGKDYLL CDYNRDGDSY RSPWSNKYDP PLEDGAMPSA RLRKLEVEAN DATA SEQUENCE NAFDQYRDLY FEGGVSSVYL WDLDHGFAGV ILIKKAGDGS KKIKGCWDSI DATA SEQUENCE HVVEVQEKSS GRTAHYKLTS TVMLWLQTNK TGSGTMNLGG SLTRQMEKDE DATA SEQUENCE TVSDSSPHIA NIGRLVEDME NKIRSTLNEI YFGKTKDIVN GLRSIDAIPD DATA SEQUENCE NQKYKQLQRE LSQVLTQRQI 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 302 S HA 0.000 4.466 4.470 -0.006 0.000 0.327 302 S C 0.000 174.597 174.600 -0.005 0.000 1.055 302 S CA 0.000 58.196 58.200 -0.006 0.000 1.107 302 S CB 0.000 63.196 63.200 -0.007 0.000 0.593 303 D N 2.662 123.059 120.400 -0.004 0.000 2.154 303 D HA -0.394 4.244 4.640 -0.003 0.000 0.190 303 D C 1.791 178.089 176.300 -0.003 0.000 1.003 303 D CA 3.575 57.573 54.000 -0.003 0.000 0.849 303 D CB -0.708 40.091 40.800 -0.001 0.000 0.942 303 D HN 0.331 8.698 8.370 -0.004 0.000 0.446 304 Q N -2.684 117.114 119.800 -0.003 0.000 2.181 304 Q HA -0.295 4.043 4.340 -0.003 0.000 0.205 304 Q C 2.731 178.728 176.000 -0.004 0.000 0.980 304 Q CA 3.237 59.038 55.803 -0.003 0.000 0.862 304 Q CB -0.856 27.880 28.738 -0.003 0.000 0.905 304 Q HN 0.406 8.678 8.270 -0.003 -0.003 0.429 305 Q N -0.397 119.400 119.800 -0.005 0.000 2.050 305 Q HA -0.328 4.008 4.340 -0.006 0.000 0.202 305 Q C 2.425 178.421 176.000 -0.007 0.000 0.980 305 Q CA 2.848 58.647 55.803 -0.006 0.000 0.840 305 Q CB -0.411 28.322 28.738 -0.007 0.000 0.898 305 Q HN 0.028 8.151 8.270 -0.005 0.144 0.424 306 L N -0.024 121.195 121.223 -0.007 0.000 2.042 306 L HA -0.390 3.945 4.340 -0.008 0.000 0.210 306 L C 1.610 178.477 176.870 -0.005 0.000 1.076 306 L CA 3.233 58.069 54.840 -0.007 0.000 0.749 306 L CB -0.373 41.682 42.059 -0.006 0.000 0.893 306 L HN -0.484 7.742 8.230 -0.006 0.000 0.432 307 D N -0.783 119.615 120.400 -0.004 0.000 2.117 307 D HA -0.225 4.414 4.640 -0.002 0.000 0.197 307 D C 2.628 178.925 176.300 -0.004 0.000 0.987 307 D CA 3.377 57.375 54.000 -0.003 0.000 0.829 307 D CB -0.695 40.104 40.800 -0.002 0.000 0.961 307 D HN -0.310 7.972 8.370 -0.004 0.086 0.460 308 C N -0.385 118.912 119.300 -0.005 0.000 2.440 308 C HA -0.260 4.196 4.460 -0.006 0.000 0.278 308 C C 1.921 176.907 174.990 -0.006 0.000 1.295 308 C CA 3.850 62.864 59.018 -0.006 0.000 1.738 308 C CB -0.782 26.955 27.740 -0.006 0.000 1.987 308 C HN 0.017 8.160 8.230 -0.005 0.084 0.492 309 A N 0.776 123.592 122.820 -0.006 0.000 1.902 309 A HA -0.246 4.070 4.320 -0.006 0.000 0.217 309 A C 1.909 179.490 177.584 -0.006 0.000 1.181 309 A CA 3.367 55.400 52.037 -0.006 0.000 0.623 309 A CB -0.929 18.066 19.000 -0.007 0.000 0.818 309 A HN 0.407 8.472 8.150 -0.006 0.081 0.443 310 L N -2.708 118.512 121.223 -0.005 0.000 2.093 310 L HA -0.429 3.909 4.340 -0.003 0.000 0.208 310 L C 2.141 179.007 176.870 -0.006 0.000 1.085 310 L CA 2.827 57.665 54.840 -0.004 0.000 0.755 310 L CB -0.451 41.607 42.059 -0.002 0.000 0.904 310 L HN -0.171 8.056 8.230 -0.005 0.000 0.435 311 D N -0.912 119.483 120.400 -0.007 0.000 2.178 311 D HA -0.234 4.400 4.640 -0.011 0.000 0.202 311 D C 2.269 178.562 176.300 -0.012 0.000 0.974 311 D CA 2.959 56.953 54.000 -0.010 0.000 0.841 311 D CB 0.245 41.040 40.800 -0.009 0.000 0.953 311 D HN -0.475 7.814 8.370 -0.006 0.078 0.478 312 L N -0.342 120.876 121.223 -0.010 0.000 2.056 312 L HA -0.223 4.109 4.340 -0.012 0.000 0.207 312 L C 1.532 178.396 176.870 -0.011 0.000 1.078 312 L CA 2.860 57.694 54.840 -0.010 0.000 0.749 312 L CB -0.018 42.036 42.059 -0.008 0.000 0.901 312 L HN -0.223 7.894 8.230 -0.008 0.108 0.433 313 M N -4.491 115.104 119.600 -0.008 0.000 2.279 313 M HA -0.309 4.169 4.480 -0.004 0.000 0.264 313 M C 1.679 177.972 176.300 -0.012 0.000 1.062 313 M CA 1.873 57.170 55.300 -0.006 0.000 1.099 313 M CB -1.323 31.276 32.600 -0.001 0.000 1.394 313 M HN -0.331 7.955 8.290 -0.007 0.000 0.426 314 R N -5.105 115.385 120.500 -0.015 0.000 2.275 314 R HA -0.103 4.222 4.340 -0.025 0.000 0.199 314 R C 1.582 177.864 176.300 -0.031 0.000 0.989 314 R CA 0.484 56.570 56.100 -0.023 0.000 1.016 314 R CB -0.304 29.984 30.300 -0.021 0.000 0.918 314 R HN -0.680 7.441 8.270 -0.013 0.142 0.473 315 R N -2.450 118.033 120.500 -0.027 0.000 2.121 315 R HA 0.017 4.335 4.340 -0.037 0.000 0.206 315 R C 0.595 176.875 176.300 -0.033 0.000 1.094 315 R CA 0.339 56.420 56.100 -0.031 0.000 1.055 315 R CB 1.350 31.636 30.300 -0.024 0.000 0.964 315 R HN -0.422 7.639 8.270 -0.021 0.196 0.473 316 L N 0.878 122.086 121.223 -0.025 0.000 2.483 316 L HA -0.079 4.247 4.340 -0.024 0.000 0.276 316 L C -1.861 174.990 176.870 -0.031 0.000 1.213 316 L CA -1.135 53.691 54.840 -0.023 0.000 0.843 316 L CB -0.584 41.468 42.059 -0.011 0.000 1.107 316 L HN -0.201 8.017 8.230 -0.020 0.000 0.487 317 P HA 0.095 4.469 4.420 -0.078 0.000 0.260 317 P C -1.105 176.170 177.300 -0.042 0.000 1.172 317 P CA -0.893 62.174 63.100 -0.054 0.000 0.760 317 P CB -0.173 31.500 31.700 -0.046 0.000 0.773 318 P HA -0.099 4.324 4.420 0.004 0.000 0.242 318 P C 0.609 177.914 177.300 0.008 0.000 1.197 318 P CA 1.625 64.704 63.100 -0.035 0.000 0.765 318 P CB 0.411 32.068 31.700 -0.072 0.000 0.936 319 Q N -2.195 117.574 119.800 -0.052 0.000 2.389 319 Q HA -0.092 4.337 4.340 0.148 0.000 0.204 319 Q C 0.538 176.682 176.000 0.240 0.000 0.944 319 Q CA 1.805 57.656 55.803 0.079 0.000 0.908 319 Q CB -0.080 28.625 28.738 -0.054 0.000 1.002 319 Q HN 0.088 8.215 8.270 -0.092 0.088 0.493 320 Q N -2.823 117.049 119.800 0.120 0.000 2.182 320 Q HA 0.275 4.690 4.340 0.124 0.000 0.305 320 Q C 0.066 176.111 176.000 0.075 0.000 0.880 320 Q CA -1.386 54.477 55.803 0.100 0.000 1.131 320 Q CB 0.462 29.238 28.738 0.062 0.000 1.237 320 Q HN -0.680 7.589 8.270 0.065 0.041 0.447 321 I N 0.229 120.855 120.570 0.093 0.000 2.226 321 I HA -0.562 3.636 4.170 0.046 0.000 0.245 321 I C 1.467 177.616 176.117 0.054 0.000 1.100 321 I CA 4.806 66.145 61.300 0.066 0.000 1.374 321 I CB 0.117 38.165 38.000 0.080 0.000 1.057 321 I HN -0.759 7.471 8.210 0.137 0.062 0.413 322 E N -0.601 119.636 120.200 0.061 0.000 2.012 322 E HA -0.414 3.958 4.350 0.037 0.000 0.197 322 E C 1.871 178.491 176.600 0.032 0.000 1.007 322 E CA 3.548 59.972 56.400 0.042 0.000 0.816 322 E CB -0.707 29.015 29.700 0.036 0.000 0.762 322 E HN 0.509 8.919 8.360 0.082 0.000 0.451 323 K N -1.342 119.079 120.400 0.036 0.000 2.020 323 K HA -0.419 3.914 4.320 0.022 0.000 0.212 323 K C 2.516 179.129 176.600 0.021 0.000 1.050 323 K CA 3.593 59.896 56.287 0.027 0.000 0.929 323 K CB -0.446 32.072 32.500 0.030 0.000 0.714 323 K HN 0.043 8.320 8.250 0.045 0.000 0.443 324 N N -0.187 118.527 118.700 0.024 0.000 2.018 324 N HA -0.306 4.441 4.740 0.013 0.000 0.196 324 N C 2.149 177.667 175.510 0.013 0.000 1.043 324 N CA 2.841 55.901 53.050 0.016 0.000 0.856 324 N CB -0.374 38.123 38.487 0.017 0.000 1.042 324 N HN -0.151 8.248 8.380 0.032 0.000 0.423 325 L N 0.926 122.159 121.223 0.016 0.000 2.021 325 L HA -0.440 3.904 4.340 0.007 0.000 0.215 325 L C 1.678 178.552 176.870 0.006 0.000 1.074 325 L CA 3.606 58.452 54.840 0.011 0.000 0.760 325 L CB -0.125 41.943 42.059 0.016 0.000 0.889 325 L HN 0.487 8.609 8.230 0.023 0.121 0.433 326 S N -1.631 114.075 115.700 0.009 0.000 2.359 326 S HA -0.428 4.043 4.470 0.003 0.000 0.224 326 S C 2.125 176.726 174.600 0.002 0.000 1.035 326 S CA 3.815 62.018 58.200 0.006 0.000 1.018 326 S CB -0.453 62.753 63.200 0.009 0.000 0.876 326 S HN -0.006 8.314 8.310 0.014 -0.002 0.448 327 D N 2.048 122.451 120.400 0.004 0.000 2.117 327 D HA -0.254 4.387 4.640 0.001 0.000 0.197 327 D C 2.493 178.793 176.300 -0.001 0.000 0.987 327 D CA 3.364 57.365 54.000 0.002 0.000 0.829 327 D CB -0.160 40.642 40.800 0.004 0.000 0.961 327 D HN -0.149 8.161 8.370 0.007 0.065 0.460 328 L N 0.360 121.582 121.223 -0.001 0.000 2.042 328 L HA -0.333 4.005 4.340 -0.004 0.000 0.210 328 L C 1.799 178.665 176.870 -0.007 0.000 1.076 328 L CA 3.169 58.007 54.840 -0.004 0.000 0.749 328 L CB -0.192 41.865 42.059 -0.003 0.000 0.893 328 L HN 0.393 8.436 8.230 0.002 0.188 0.432 329 I N -1.871 118.695 120.570 -0.008 0.000 2.252 329 I HA -0.522 3.640 4.170 -0.014 0.000 0.245 329 I C 1.685 177.795 176.117 -0.011 0.000 1.102 329 I CA 3.762 65.054 61.300 -0.012 0.000 1.385 329 I CB -0.332 37.659 38.000 -0.014 0.000 1.064 329 I HN -0.267 7.846 8.210 -0.005 0.094 0.414 330 D N -0.782 119.613 120.400 -0.008 0.000 2.149 330 D HA -0.251 4.384 4.640 -0.009 0.000 0.198 330 D C 1.969 178.265 176.300 -0.008 0.000 0.990 330 D CA 2.929 56.924 54.000 -0.008 0.000 0.839 330 D CB -0.192 40.605 40.800 -0.005 0.000 0.948 330 D HN -0.690 7.593 8.370 -0.006 0.083 0.460 331 L N -2.529 118.690 121.223 -0.007 0.000 2.217 331 L HA -0.159 4.177 4.340 -0.007 0.000 0.211 331 L C 0.192 177.056 176.870 -0.009 0.000 1.107 331 L CA 1.896 56.732 54.840 -0.007 0.000 0.783 331 L CB 0.998 43.054 42.059 -0.006 0.000 0.919 331 L HN -0.521 7.605 8.230 -0.006 0.100 0.442 332 V N -11.021 108.887 119.914 -0.010 0.000 2.558 332 V HA 0.511 4.624 4.120 -0.012 0.000 0.261 332 V C -2.164 173.921 176.094 -0.016 0.000 0.958 332 V CA -3.153 59.139 62.300 -0.012 0.000 0.852 332 V CB 0.984 32.800 31.823 -0.012 0.000 1.067 332 V HN -0.934 7.109 8.190 -0.010 0.141 0.468 333 P HA 0.072 4.538 4.420 -0.021 -0.058 0.234 333 P C 0.791 178.077 177.300 -0.023 0.000 1.167 333 P CA 1.508 64.596 63.100 -0.020 0.000 0.763 333 P CB 0.138 31.827 31.700 -0.019 0.000 0.835 334 S N -1.024 114.663 115.700 -0.021 0.000 2.558 334 S HA 0.080 4.535 4.470 -0.025 0.000 0.217 334 S C 0.322 174.907 174.600 -0.025 0.000 0.975 334 S CA 1.785 59.971 58.200 -0.023 0.000 0.912 334 S CB -0.052 63.138 63.200 -0.018 0.000 0.776 334 S HN 0.218 8.429 8.310 -0.018 0.089 0.526 335 L N -1.294 119.914 121.223 -0.025 0.000 3.066 335 L HA 0.376 4.699 4.340 -0.029 0.000 0.265 335 L C -0.091 176.759 176.870 -0.033 0.000 1.232 335 L CA -1.090 53.733 54.840 -0.027 0.000 1.031 335 L CB 0.295 42.342 42.059 -0.021 0.000 1.379 335 L HN -0.428 7.618 8.230 -0.023 0.170 0.563 336 C N 2.001 121.279 119.300 -0.037 0.000 2.442 336 C HA -0.492 3.947 4.460 -0.036 0.000 0.279 336 C C 1.486 176.441 174.990 -0.058 0.000 1.237 336 C CA 4.974 63.966 59.018 -0.043 0.000 1.722 336 C CB -0.177 27.537 27.740 -0.044 0.000 2.056 336 C HN -0.467 7.674 8.230 -0.035 0.068 0.469 337 E N -0.896 119.262 120.200 -0.069 0.000 2.031 337 E HA -0.375 3.910 4.350 -0.109 0.000 0.193 337 E C 1.027 177.572 176.600 -0.091 0.000 0.994 337 E CA 3.172 59.516 56.400 -0.092 0.000 0.800 337 E CB -0.482 29.162 29.700 -0.094 0.000 0.752 337 E HN 0.315 8.639 8.360 -0.061 0.000 0.447 338 D N -2.505 117.854 120.400 -0.067 0.000 2.149 338 D HA -0.235 4.367 4.640 -0.063 0.000 0.198 338 D C 2.525 178.795 176.300 -0.051 0.000 0.990 338 D CA 2.723 56.690 54.000 -0.055 0.000 0.839 338 D CB -0.366 40.412 40.800 -0.036 0.000 0.948 338 D HN 0.084 8.419 8.370 -0.058 0.000 0.460 339 L N -1.217 119.978 121.223 -0.046 0.000 2.240 339 L HA -0.220 4.104 4.340 -0.027 0.000 0.211 339 L C 1.232 178.075 176.870 -0.046 0.000 1.106 339 L CA 2.162 56.981 54.840 -0.035 0.000 0.793 339 L CB 0.101 42.144 42.059 -0.026 0.000 0.927 339 L HN 0.011 8.008 8.230 -0.046 0.206 0.446 340 L N -5.577 115.604 121.223 -0.069 0.000 2.645 340 L HA -0.068 4.237 4.340 -0.058 0.000 0.235 340 L C -0.288 176.497 176.870 -0.142 0.000 1.150 340 L CA 0.711 55.499 54.840 -0.087 0.000 0.911 340 L CB -0.452 41.547 42.059 -0.099 0.000 1.077 340 L HN 0.152 8.108 8.230 -0.073 0.231 0.438 341 S N -4.107 111.512 115.700 -0.135 0.000 2.820 341 S HA 0.101 4.706 4.470 -0.298 -0.313 0.265 341 S C 0.015 174.576 174.600 -0.065 0.000 1.043 341 S CA 0.450 58.532 58.200 -0.198 0.000 1.245 341 S CB 1.674 64.719 63.200 -0.259 0.000 1.187 341 S HN -0.634 7.503 8.310 -0.092 0.118 0.673 342 S N 0.535 116.217 115.700 -0.030 0.000 2.549 342 S HA 0.231 4.721 4.470 0.032 0.000 0.225 342 S C -1.098 173.511 174.600 0.015 0.000 1.039 342 S CA 0.703 58.907 58.200 0.007 0.000 0.942 342 S CB 2.319 65.518 63.200 -0.001 0.000 0.881 342 S HN -0.570 7.595 8.310 -0.044 0.119 0.503 343 V N 4.203 124.121 119.914 0.006 0.000 2.370 343 V HA -0.029 4.100 4.120 0.016 0.000 0.283 343 V C -1.569 174.542 176.094 0.029 0.000 1.023 343 V CA -0.798 61.511 62.300 0.014 0.000 0.857 343 V CB 0.513 32.340 31.823 0.006 0.000 0.985 343 V HN -0.680 7.504 8.190 -0.010 0.000 0.443 344 D N 7.683 128.106 120.400 0.037 0.000 2.277 344 D HA 0.105 4.784 4.640 0.065 0.000 0.249 344 D C -0.651 175.680 176.300 0.051 0.000 1.134 344 D CA -0.079 53.952 54.000 0.051 0.000 0.863 344 D CB 0.933 41.761 40.800 0.046 0.000 1.143 344 D HN 0.136 8.524 8.370 0.030 0.000 0.458 345 Q N 2.422 122.257 119.800 0.060 0.000 2.496 345 Q HA 0.337 4.720 4.340 0.073 0.000 0.286 345 Q C -2.653 173.388 176.000 0.067 0.000 1.103 345 Q CA -3.127 52.715 55.803 0.064 0.000 0.813 345 Q CB -0.001 28.769 28.738 0.053 0.000 1.444 345 Q HN -0.004 8.304 8.270 0.065 0.000 0.443 346 P HA -0.220 4.357 4.420 0.070 -0.115 0.259 346 P C -0.215 177.100 177.300 0.024 0.000 1.163 346 P CA 0.206 63.336 63.100 0.049 0.000 0.760 346 P CB 0.162 31.869 31.700 0.012 0.000 0.762 347 L N 5.884 127.127 121.223 0.033 0.000 2.477 347 L HA -0.087 4.276 4.340 0.040 0.000 0.272 347 L C -0.033 176.826 176.870 -0.019 0.000 1.157 347 L CA 0.145 55.003 54.840 0.029 0.000 0.889 347 L CB -0.384 41.711 42.059 0.060 0.000 1.158 347 L HN 0.868 9.606 8.230 0.047 -0.480 0.473 348 K N 4.231 124.599 120.400 -0.053 0.000 2.144 348 K HA 0.071 4.330 4.320 -0.102 0.000 0.270 348 K C -1.286 175.223 176.600 -0.150 0.000 1.005 348 K CA -1.202 55.016 56.287 -0.115 0.000 0.932 348 K CB 1.160 33.560 32.500 -0.167 0.000 1.021 348 K HN 0.286 8.512 8.250 -0.040 0.000 0.462 349 I N 0.798 121.267 120.570 -0.168 0.000 2.392 349 I HA 0.033 4.087 4.170 -0.194 0.000 0.295 349 I C -1.361 174.559 176.117 -0.329 0.000 0.985 349 I CA -1.773 59.406 61.300 -0.202 0.000 1.221 349 I CB 1.893 39.821 38.000 -0.121 0.000 1.366 349 I HN 0.147 8.268 8.210 -0.148 0.000 0.467 350 A N 7.762 130.239 122.820 -0.571 0.000 2.384 350 A HA 0.410 4.468 4.320 -0.438 0.000 0.312 350 A C -2.466 174.840 177.584 -0.464 0.000 1.113 350 A CA -1.663 49.915 52.037 -0.765 0.000 0.779 350 A CB 3.457 21.379 19.000 -1.796 0.000 1.307 350 A HN 0.538 8.231 8.150 -0.581 0.109 0.436 351 R N -0.245 120.178 120.500 -0.129 0.000 2.589 351 R HA 0.479 5.146 4.340 0.072 -0.284 0.293 351 R C -1.250 175.214 176.300 0.273 0.000 0.963 351 R CA -1.013 55.131 56.100 0.073 0.000 0.905 351 R CB 2.918 33.232 30.300 0.024 0.000 1.144 351 R HN 0.371 8.580 8.270 -0.102 0.000 0.459 352 D N 6.203 126.759 120.400 0.260 0.000 2.485 352 D HA 0.401 5.208 4.640 0.279 0.000 0.256 352 D C 0.037 176.400 176.300 0.105 0.000 1.141 352 D CA -2.266 51.878 54.000 0.239 0.000 0.942 352 D CB 0.145 41.112 40.800 0.279 0.000 1.003 352 D HN 0.663 9.022 8.370 0.174 0.115 0.507 353 K N 3.820 124.274 120.400 0.091 0.000 2.030 353 K HA -0.537 3.803 4.320 0.033 0.000 0.222 353 K C 1.375 177.995 176.600 0.033 0.000 1.056 353 K CA 3.384 59.700 56.287 0.049 0.000 0.957 353 K CB -0.403 32.127 32.500 0.050 0.000 0.727 353 K HN -0.088 8.231 8.250 0.116 0.000 0.452 354 V N -3.037 116.903 119.914 0.043 0.000 2.252 354 V HA -0.336 3.798 4.120 0.023 0.000 0.255 354 V C 1.610 177.714 176.094 0.017 0.000 1.071 354 V CA 2.956 65.274 62.300 0.031 0.000 1.050 354 V CB -0.135 31.710 31.823 0.037 0.000 0.654 354 V HN 0.063 8.287 8.190 0.056 0.000 0.448 355 V N -3.369 116.557 119.914 0.019 0.000 2.992 355 V HA 0.021 4.127 4.120 -0.023 0.000 0.250 355 V C 0.320 176.367 176.094 -0.077 0.000 1.090 355 V CA 0.921 63.204 62.300 -0.028 0.000 1.101 355 V CB 1.135 32.942 31.823 -0.026 0.000 0.743 355 V HN -0.669 7.767 8.190 0.046 -0.219 0.468 356 G N -1.323 107.449 108.800 -0.047 0.000 2.147 356 G HA2 -0.451 3.479 3.960 -0.023 0.000 0.244 356 G HA3 -0.451 3.473 3.960 -0.061 0.000 0.244 356 G C -0.925 173.905 174.900 -0.117 0.000 1.005 356 G CA 0.553 45.618 45.100 -0.058 0.000 0.713 356 G HN 0.639 8.683 8.290 -0.003 0.244 0.515 357 K N -0.687 119.607 120.400 -0.178 0.000 2.267 357 K HA 0.298 4.463 4.320 -0.258 0.000 0.246 357 K C -1.464 175.097 176.600 -0.065 0.000 0.954 357 K CA -2.101 53.998 56.287 -0.314 0.000 0.824 357 K CB 2.101 34.051 32.500 -0.918 0.000 1.167 357 K HN -0.741 7.402 8.250 -0.130 0.029 0.431 358 D N 0.145 120.542 120.400 -0.006 0.000 2.210 358 D HA 0.899 5.766 4.640 0.103 -0.165 0.249 358 D C 0.082 176.626 176.300 0.407 0.000 1.062 358 D CA -0.752 53.321 54.000 0.123 0.000 0.891 358 D CB 2.050 42.861 40.800 0.018 0.000 1.186 358 D HN 0.156 8.470 8.370 -0.092 0.000 0.432 359 Y N -2.093 118.395 120.300 0.314 0.000 2.457 359 Y HA 0.449 5.239 4.550 0.399 0.000 0.343 359 Y C -2.035 173.983 175.900 0.196 0.000 0.994 359 Y CA -1.777 56.536 58.100 0.356 0.000 1.031 359 Y CB 2.253 40.962 38.460 0.414 0.000 1.246 359 Y HN 0.866 8.875 8.280 -0.214 0.142 0.449 360 L N 2.304 123.662 121.223 0.224 0.000 2.473 360 L HA 0.430 4.984 4.340 -0.038 -0.238 0.268 360 L C 0.276 177.281 176.870 0.226 0.000 1.215 360 L CA 0.133 55.044 54.840 0.117 0.000 0.823 360 L CB 0.712 42.861 42.059 0.149 0.000 1.099 360 L HN 0.200 8.607 8.230 0.296 0.000 0.483 361 L N 0.390 121.644 121.223 0.051 0.000 2.334 361 L HA 0.201 4.665 4.340 0.207 0.000 0.270 361 L C -0.910 176.050 176.870 0.150 0.000 1.018 361 L CA -0.636 54.233 54.840 0.050 0.000 0.811 361 L CB 2.308 44.130 42.059 -0.394 0.000 1.271 361 L HN -0.190 8.023 8.230 -0.027 0.000 0.443 362 C N -0.544 118.894 119.300 0.230 0.000 3.275 362 C HA 0.221 4.790 4.460 0.181 0.000 0.340 362 C C -0.418 174.645 174.990 0.121 0.000 1.366 362 C CA -1.751 57.388 59.018 0.201 0.000 1.227 362 C CB 2.303 30.206 27.740 0.273 0.000 1.512 362 C HN 0.675 9.332 8.230 0.340 -0.223 0.461 363 D N 0.925 121.313 120.400 -0.019 0.000 2.347 363 D HA -0.248 4.286 4.640 -0.176 0.000 0.215 363 D C -0.021 176.044 176.300 -0.392 0.000 0.976 363 D CA 2.223 56.077 54.000 -0.243 0.000 0.884 363 D CB -0.213 40.372 40.800 -0.358 0.000 0.915 363 D HN 0.458 8.840 8.370 0.020 0.000 0.526 364 Y N -2.861 117.388 120.300 -0.086 0.000 2.517 364 Y HA -0.136 4.329 4.550 -0.141 0.000 0.281 364 Y C -0.294 175.477 175.900 -0.215 0.000 1.125 364 Y CA 1.358 59.391 58.100 -0.112 0.000 1.283 364 Y CB 0.290 38.753 38.460 0.005 0.000 1.042 364 Y HN -0.511 7.763 8.280 0.097 0.064 0.547 365 N N -4.567 114.009 118.700 -0.207 0.000 2.291 365 N HA 0.053 4.597 4.740 -0.327 0.000 0.244 365 N C -2.013 173.369 175.510 -0.213 0.000 1.216 365 N CA -1.342 51.453 53.050 -0.424 0.000 0.879 365 N CB 0.478 38.181 38.487 -1.306 0.000 1.167 365 N HN -0.533 7.619 8.380 -0.123 0.154 0.515 366 R N 0.495 120.851 120.500 -0.239 0.000 2.437 366 R HA 0.379 4.539 4.340 -0.517 -0.131 0.310 366 R C -1.487 174.592 176.300 -0.369 0.000 0.955 366 R CA -0.580 55.255 56.100 -0.442 0.000 0.851 366 R CB 2.523 32.447 30.300 -0.626 0.000 1.161 366 R HN -0.882 7.185 8.270 -0.230 0.065 0.446 367 D N 6.136 126.318 120.400 -0.363 0.000 2.446 367 D HA 0.259 4.733 4.640 -0.277 0.000 0.251 367 D C -0.057 176.058 176.300 -0.309 0.000 1.137 367 D CA -0.756 53.062 54.000 -0.305 0.000 0.890 367 D CB 1.628 42.252 40.800 -0.293 0.000 1.071 367 D HN 0.255 8.388 8.370 -0.395 0.000 0.528 368 G N 6.452 115.092 108.800 -0.267 0.000 3.487 368 G HA2 -0.483 3.369 3.960 -0.180 0.000 0.295 368 G HA3 -0.483 3.357 3.960 -0.199 0.000 0.295 368 G C -0.605 174.164 174.900 -0.220 0.000 1.454 368 G CA 1.627 46.599 45.100 -0.214 0.000 1.039 368 G HN 0.389 8.524 8.290 -0.259 0.000 0.624 369 D N 3.493 123.772 120.400 -0.201 0.000 2.527 369 D HA 0.169 4.715 4.640 -0.156 0.000 0.224 369 D C -0.981 175.235 176.300 -0.139 0.000 1.217 369 D CA -0.474 53.437 54.000 -0.148 0.000 0.819 369 D CB 1.404 42.163 40.800 -0.067 0.000 1.061 369 D HN 0.032 8.285 8.370 -0.195 0.000 0.515 370 S N -0.516 115.042 115.700 -0.237 0.000 2.638 370 S HA 0.148 4.682 4.470 0.105 0.000 0.302 370 S C -1.909 172.519 174.600 -0.287 0.000 1.096 370 S CA -0.443 57.700 58.200 -0.095 0.000 0.953 370 S CB 2.808 65.997 63.200 -0.018 0.000 1.107 370 S HN -0.773 7.360 8.310 -0.294 0.000 0.503 371 Y N -0.647 119.728 120.300 0.126 0.000 2.509 371 Y HA 0.450 5.159 4.550 0.048 -0.130 0.341 371 Y C -0.540 175.435 175.900 0.126 0.000 1.038 371 Y CA -0.890 57.281 58.100 0.118 0.000 1.089 371 Y CB 3.415 41.997 38.460 0.203 0.000 1.241 371 Y HN 0.380 8.937 8.280 0.462 0.000 0.468 372 R N 1.914 122.504 120.500 0.149 0.000 2.229 372 R HA 0.230 4.649 4.340 -0.012 -0.086 0.328 372 R C -1.692 174.488 176.300 -0.199 0.000 1.009 372 R CA -0.911 55.189 56.100 0.001 0.000 0.864 372 R CB 1.173 31.493 30.300 0.034 0.000 1.085 372 R HN 1.053 9.263 8.270 0.079 0.108 0.453 373 S N 6.259 121.744 115.700 -0.359 0.000 2.528 373 S HA 0.391 4.216 4.470 -1.075 0.000 0.277 373 S C -0.667 173.775 174.600 -0.263 0.000 1.297 373 S CA -2.378 55.476 58.200 -0.576 0.000 1.052 373 S CB 0.643 63.566 63.200 -0.462 0.000 0.917 373 S HN 0.065 8.067 8.310 -0.293 0.131 0.492 374 P HA 0.095 4.398 4.420 -0.196 0.000 0.236 374 P C -0.605 176.389 177.300 -0.509 0.000 1.177 374 P CA 0.641 63.478 63.100 -0.439 0.000 0.773 374 P CB 0.516 31.742 31.700 -0.790 0.000 0.878 375 W N -2.067 119.204 121.300 -0.048 0.000 2.619 375 W HA 0.031 4.681 4.660 -0.016 0.000 0.309 375 W C 1.838 178.332 176.519 -0.042 0.000 1.126 375 W CA 1.093 58.421 57.345 -0.028 0.000 1.472 375 W CB -0.084 29.375 29.460 -0.003 0.000 1.164 375 W HN -0.485 7.427 8.180 -0.359 0.052 0.503 376 S N -2.469 113.339 115.700 0.180 0.000 2.496 376 S HA -0.206 4.308 4.470 0.074 0.000 0.224 376 S C 0.704 175.285 174.600 -0.032 0.000 0.996 376 S CA 1.025 59.262 58.200 0.061 0.000 0.927 376 S CB 1.044 64.268 63.200 0.041 0.000 0.774 376 S HN -0.546 8.048 8.310 0.224 -0.149 0.524 377 N N 0.500 119.152 118.700 -0.080 0.000 2.816 377 N HA -0.379 4.479 4.740 -0.128 -0.195 0.247 377 N C -2.102 173.250 175.510 -0.263 0.000 1.100 377 N CA 1.632 54.602 53.050 -0.134 0.000 0.687 377 N CB -0.661 37.775 38.487 -0.084 0.000 1.003 377 N HN -0.222 7.995 8.380 -0.071 0.120 0.554 378 K N -2.569 117.640 120.400 -0.319 0.000 2.501 378 K HA 0.312 4.066 4.320 -0.944 0.000 0.252 378 K C -0.369 175.960 176.600 -0.451 0.000 0.934 378 K CA -2.192 53.769 56.287 -0.543 0.000 0.797 378 K CB 3.463 35.787 32.500 -0.293 0.000 1.270 378 K HN -0.032 8.078 8.250 -0.233 0.000 0.431 379 Y N 1.853 122.151 120.300 -0.004 0.000 2.497 379 Y HA 0.466 5.425 4.550 0.019 -0.397 0.334 379 Y C 1.312 177.251 175.900 0.066 0.000 1.199 379 Y CA -0.148 57.965 58.100 0.021 0.000 1.425 379 Y CB -0.096 38.367 38.460 0.005 0.000 1.291 379 Y HN 0.438 7.323 8.280 -2.325 0.000 0.562 380 D N 2.707 123.270 120.400 0.272 0.000 2.108 380 D HA -0.152 4.607 4.640 0.199 0.000 0.190 380 D C -1.455 174.967 176.300 0.203 0.000 0.995 380 D CA 2.846 56.992 54.000 0.243 0.000 0.834 380 D CB -0.860 40.127 40.800 0.312 0.000 0.967 380 D HN 0.052 8.616 8.370 0.324 0.000 0.446 381 P HA 0.159 4.651 4.420 0.119 0.000 0.271 381 P C -2.404 174.982 177.300 0.143 0.000 1.233 381 P CA -1.259 61.926 63.100 0.142 0.000 0.764 381 P CB 0.019 31.783 31.700 0.106 0.000 0.825 382 P HA -0.206 4.292 4.420 0.130 0.000 0.197 382 P C -1.216 176.139 177.300 0.093 0.000 1.121 382 P CA 0.675 63.839 63.100 0.107 0.000 1.318 382 P CB -0.983 30.759 31.700 0.070 0.000 1.634 383 L N 2.356 123.666 121.223 0.145 0.000 2.490 383 L HA 0.038 4.352 4.340 -0.042 0.000 0.245 383 L C 0.402 177.311 176.870 0.064 0.000 1.185 383 L CA 0.128 54.977 54.840 0.014 0.000 0.813 383 L CB 1.707 43.591 42.059 -0.292 0.000 1.233 383 L HN -0.274 8.117 8.230 0.284 0.009 0.489 384 E N -0.357 119.835 120.200 -0.012 0.000 2.329 384 E HA 0.114 4.502 4.350 0.063 0.000 0.189 384 E C 0.047 176.678 176.600 0.050 0.000 0.997 384 E CA 0.723 57.141 56.400 0.029 0.000 1.062 384 E CB 0.693 30.391 29.700 -0.003 0.000 1.260 384 E HN 0.028 8.327 8.360 -0.102 0.000 0.490 385 D N 0.757 121.148 120.400 -0.015 0.000 2.683 385 D HA 0.169 4.855 4.640 0.078 0.000 0.309 385 D C -0.414 175.853 176.300 -0.056 0.000 1.238 385 D CA -0.474 53.532 54.000 0.011 0.000 0.936 385 D CB -0.640 40.162 40.800 0.002 0.000 1.001 385 D HN -0.091 8.243 8.370 -0.060 0.000 0.505 386 G N -2.326 106.402 108.800 -0.121 0.000 2.527 386 G HA2 -0.062 3.735 3.960 -0.477 0.000 0.248 386 G HA3 -0.062 3.005 3.960 -1.487 0.000 0.248 386 G C -0.830 174.118 174.900 0.080 0.000 1.231 386 G CA -0.307 44.541 45.100 -0.419 0.000 0.838 386 G HN -0.641 7.677 8.290 0.047 0.000 0.570 387 A N 2.592 125.425 122.820 0.023 0.000 2.524 387 A HA -0.002 4.379 4.320 0.102 0.000 0.250 387 A C -1.224 176.483 177.584 0.205 0.000 1.078 387 A CA 1.093 53.192 52.037 0.103 0.000 0.761 387 A CB 0.483 19.500 19.000 0.027 0.000 1.012 387 A HN 0.119 8.544 8.150 -0.113 -0.343 0.500 388 M N 1.041 120.753 119.600 0.187 0.000 2.518 388 M HA 0.450 5.029 4.480 0.165 0.000 0.300 388 M C -2.205 174.189 176.300 0.157 0.000 1.175 388 M CA -2.942 52.455 55.300 0.162 0.000 0.890 388 M CB 1.774 34.444 32.600 0.117 0.000 1.710 388 M HN -0.270 8.119 8.290 0.165 0.000 0.453 389 P HA 0.231 4.746 4.420 0.157 0.000 0.274 389 P C -0.752 176.577 177.300 0.048 0.000 1.231 389 P CA -0.462 62.709 63.100 0.118 0.000 0.790 389 P CB 0.625 32.392 31.700 0.111 0.000 0.951 390 S N 0.329 116.034 115.700 0.007 0.000 2.558 390 S HA -0.281 4.187 4.470 -0.004 0.000 0.291 390 S C 1.894 176.481 174.600 -0.021 0.000 1.306 390 S CA 0.194 58.383 58.200 -0.018 0.000 1.056 390 S CB 1.062 64.230 63.200 -0.054 0.000 0.836 390 S HN 0.095 8.400 8.310 -0.009 0.000 0.504 391 A N 8.454 131.264 122.820 -0.016 0.000 1.940 391 A HA -0.333 3.980 4.320 -0.012 0.000 0.221 391 A C 2.483 180.048 177.584 -0.031 0.000 1.190 391 A CA 3.226 55.252 52.037 -0.018 0.000 0.647 391 A CB -0.285 18.706 19.000 -0.014 0.000 0.821 391 A HN 0.754 8.896 8.150 -0.012 0.000 0.457 392 R N -3.427 117.047 120.500 -0.044 0.000 2.092 392 R HA -0.236 4.074 4.340 -0.050 0.000 0.231 392 R C 2.429 178.678 176.300 -0.085 0.000 1.119 392 R CA 2.887 58.951 56.100 -0.060 0.000 0.970 392 R CB -0.186 30.073 30.300 -0.068 0.000 0.864 392 R HN -0.603 7.635 8.270 -0.043 0.006 0.440 393 L N -0.841 120.327 121.223 -0.092 0.000 2.072 393 L HA -0.210 4.022 4.340 -0.180 0.000 0.205 393 L C 1.898 178.725 176.870 -0.073 0.000 1.079 393 L CA 2.382 57.153 54.840 -0.116 0.000 0.752 393 L CB -0.796 41.203 42.059 -0.100 0.000 0.906 393 L HN -0.744 7.337 8.230 -0.077 0.104 0.436 394 R N -0.505 119.972 120.500 -0.038 0.000 2.105 394 R HA -0.382 3.951 4.340 -0.012 0.000 0.239 394 R C 2.456 178.735 176.300 -0.035 0.000 1.135 394 R CA 3.487 59.573 56.100 -0.023 0.000 0.967 394 R CB -0.239 30.054 30.300 -0.012 0.000 0.861 394 R HN 0.651 8.783 8.270 -0.033 0.118 0.442 395 K N -1.580 118.796 120.400 -0.040 0.000 2.026 395 K HA -0.283 4.022 4.320 -0.024 0.000 0.208 395 K C 2.415 178.990 176.600 -0.043 0.000 1.048 395 K CA 2.916 59.182 56.287 -0.035 0.000 0.929 395 K CB -0.503 31.976 32.500 -0.034 0.000 0.713 395 K HN -0.682 7.528 8.250 -0.044 0.014 0.439 396 L N -0.416 120.766 121.223 -0.068 0.000 2.131 396 L HA -0.275 4.033 4.340 -0.052 0.000 0.210 396 L C 1.647 178.485 176.870 -0.053 0.000 1.092 396 L CA 3.009 57.803 54.840 -0.077 0.000 0.759 396 L CB 0.061 42.023 42.059 -0.162 0.000 0.903 396 L HN -0.579 7.526 8.230 -0.084 0.074 0.435 397 E N -0.168 119.998 120.200 -0.055 0.000 2.106 397 E HA -0.319 4.008 4.350 -0.037 0.000 0.192 397 E C 2.402 178.960 176.600 -0.070 0.000 0.984 397 E CA 3.350 59.719 56.400 -0.052 0.000 0.806 397 E CB -0.016 29.657 29.700 -0.045 0.000 0.750 397 E HN -0.144 8.063 8.360 -0.061 0.115 0.458 398 V N -0.431 119.450 119.914 -0.056 0.000 2.358 398 V HA -0.447 3.622 4.120 -0.084 0.000 0.246 398 V C 2.326 178.411 176.094 -0.015 0.000 1.047 398 V CA 4.553 66.826 62.300 -0.045 0.000 1.035 398 V CB -0.409 31.405 31.823 -0.015 0.000 0.658 398 V HN -0.229 7.843 8.190 -0.046 0.091 0.452 399 E N -0.573 119.623 120.200 -0.006 0.000 2.106 399 E HA -0.325 4.034 4.350 0.015 0.000 0.192 399 E C 2.255 178.868 176.600 0.022 0.000 0.984 399 E CA 3.152 59.557 56.400 0.008 0.000 0.806 399 E CB -0.350 29.351 29.700 0.002 0.000 0.750 399 E HN -0.495 7.856 8.360 -0.015 0.000 0.458 400 A N -0.312 122.529 122.820 0.036 0.000 1.898 400 A HA -0.288 4.095 4.320 0.106 0.000 0.216 400 A C 1.984 179.674 177.584 0.177 0.000 1.181 400 A CA 3.331 55.442 52.037 0.123 0.000 0.620 400 A CB -0.856 18.233 19.000 0.148 0.000 0.819 400 A HN 0.019 8.095 8.150 0.014 0.082 0.442 401 N N -2.024 116.694 118.700 0.030 0.000 2.166 401 N HA -0.367 4.359 4.740 -0.024 0.000 0.186 401 N C 1.729 177.289 175.510 0.084 0.000 1.019 401 N CA 3.845 56.875 53.050 -0.033 0.000 0.856 401 N CB -0.172 38.151 38.487 -0.273 0.000 0.993 401 N HN -0.147 8.216 8.380 -0.029 0.000 0.426 402 N N 0.503 119.253 118.700 0.082 0.000 2.171 402 N HA -0.338 4.497 4.740 0.158 0.000 0.184 402 N C 1.275 176.835 175.510 0.083 0.000 1.021 402 N CA 3.309 56.424 53.050 0.108 0.000 0.854 402 N CB 0.202 38.738 38.487 0.081 0.000 0.994 402 N HN -0.422 7.898 8.380 0.048 0.088 0.426 403 A N 0.373 123.215 122.820 0.035 0.000 1.877 403 A HA -0.234 4.063 4.320 -0.038 0.000 0.216 403 A C 2.330 179.872 177.584 -0.070 0.000 1.186 403 A CA 2.978 54.980 52.037 -0.059 0.000 0.620 403 A CB -0.637 18.262 19.000 -0.168 0.000 0.822 403 A HN 0.184 8.250 8.150 0.038 0.108 0.443 404 F N -2.859 117.111 119.950 0.033 0.000 2.293 404 F HA -0.325 4.261 4.527 0.097 0.000 0.300 404 F C 1.516 177.390 175.800 0.125 0.000 1.086 404 F CA 3.313 61.350 58.000 0.062 0.000 1.375 404 F CB -0.218 38.763 39.000 -0.031 0.000 1.045 404 F HN 0.238 8.643 8.300 0.176 0.000 0.516 405 D N -1.107 119.449 120.400 0.261 0.000 2.158 405 D HA -0.345 4.421 4.640 0.210 0.000 0.197 405 D C 2.173 178.574 176.300 0.168 0.000 0.995 405 D CA 3.241 57.367 54.000 0.209 0.000 0.846 405 D CB 0.093 41.017 40.800 0.206 0.000 0.941 405 D HN -0.237 8.153 8.370 0.231 0.118 0.456 406 Q N -1.653 118.234 119.800 0.146 0.000 2.187 406 Q HA -0.194 4.196 4.340 0.084 0.000 0.199 406 Q C 1.749 177.834 176.000 0.142 0.000 0.957 406 Q CA 2.387 58.255 55.803 0.108 0.000 0.857 406 Q CB -0.082 28.698 28.738 0.069 0.000 0.929 406 Q HN -0.640 7.701 8.270 0.136 0.011 0.453 407 Y N -0.229 120.124 120.300 0.087 0.000 2.497 407 Y HA -0.300 4.335 4.550 0.142 0.000 0.292 407 Y C 1.388 177.458 175.900 0.284 0.000 1.137 407 Y CA 2.530 60.727 58.100 0.161 0.000 1.285 407 Y CB 0.229 38.768 38.460 0.131 0.000 0.991 407 Y HN -0.757 7.600 8.280 0.296 0.101 0.556 408 R N -1.461 119.161 120.500 0.203 0.000 2.100 408 R HA -0.286 4.093 4.340 0.064 0.000 0.220 408 R C 1.095 177.493 176.300 0.164 0.000 1.091 408 R CA 2.890 59.045 56.100 0.093 0.000 0.986 408 R CB 0.064 30.349 30.300 -0.026 0.000 0.888 408 R HN -0.313 7.948 8.270 0.253 0.161 0.444 409 D N -0.589 119.867 120.400 0.094 0.000 2.349 409 D HA -0.013 4.827 4.640 0.084 -0.149 0.215 409 D C 2.154 178.459 176.300 0.008 0.000 1.016 409 D CA 2.532 56.570 54.000 0.062 0.000 0.870 409 D CB -0.245 40.580 40.800 0.041 0.000 0.917 409 D HN -0.503 7.834 8.370 0.092 0.089 0.524 410 L N -1.587 119.616 121.223 -0.034 0.000 2.513 410 L HA -0.040 4.217 4.340 -0.138 0.000 0.222 410 L C 0.580 177.266 176.870 -0.307 0.000 1.096 410 L CA 1.951 56.699 54.840 -0.154 0.000 0.857 410 L CB 0.251 42.218 42.059 -0.153 0.000 1.026 410 L HN -0.474 7.585 8.230 -0.007 0.167 0.469 411 Y N -3.413 116.746 120.300 -0.236 0.000 2.638 411 Y HA -0.082 4.236 4.550 -0.386 0.000 0.275 411 Y C 0.621 176.214 175.900 -0.511 0.000 1.122 411 Y CA 1.910 59.753 58.100 -0.428 0.000 1.266 411 Y CB 2.556 40.602 38.460 -0.690 0.000 1.317 411 Y HN -0.713 7.447 8.280 0.034 0.140 0.501 412 F N -4.708 115.182 119.950 -0.101 0.000 2.622 412 F HA 0.048 4.498 4.527 -0.129 0.000 0.288 412 F C -0.967 174.790 175.800 -0.072 0.000 1.120 412 F CA 0.402 58.338 58.000 -0.107 0.000 1.423 412 F CB 1.453 40.391 39.000 -0.104 0.000 1.127 412 F HN -0.226 8.306 8.300 0.576 0.114 0.588 413 E N -5.077 115.200 120.200 0.129 0.000 2.971 413 E HA -0.411 4.085 4.350 0.030 -0.128 0.278 413 E C -0.402 176.238 176.600 0.066 0.000 1.009 413 E CA 0.772 57.203 56.400 0.052 0.000 0.862 413 E CB -1.539 28.162 29.700 0.003 0.000 1.436 413 E HN -0.225 8.143 8.360 0.154 0.085 0.434 414 G N -1.965 106.897 108.800 0.103 0.000 2.404 414 G HA2 0.041 4.031 3.960 0.050 0.000 0.253 414 G HA3 0.041 4.040 3.960 0.065 0.000 0.253 414 G C -1.397 173.546 174.900 0.072 0.000 1.253 414 G CA -0.147 44.996 45.100 0.073 0.000 0.917 414 G HN -0.856 7.491 8.290 0.155 0.036 0.480 415 G N -0.317 108.518 108.800 0.057 0.000 2.642 415 G HA2 -0.312 3.679 3.960 0.052 0.000 0.231 415 G HA3 -0.312 3.764 3.960 0.040 -0.092 0.231 415 G C -1.263 173.651 174.900 0.023 0.000 1.338 415 G CA 0.274 45.400 45.100 0.043 0.000 0.883 415 G HN -0.009 8.313 8.290 0.053 0.000 0.570 416 V N 0.823 120.746 119.914 0.016 0.000 2.914 416 V HA 0.359 4.529 4.120 0.083 0.000 0.314 416 V C -1.670 174.441 176.094 0.029 0.000 1.084 416 V CA -1.480 60.854 62.300 0.057 0.000 0.963 416 V CB 3.509 35.381 31.823 0.082 0.000 1.025 416 V HN 0.530 8.613 8.190 0.008 0.112 0.432 417 S N 1.639 117.394 115.700 0.093 0.000 2.546 417 S HA 0.833 5.479 4.470 -0.027 -0.192 0.274 417 S C -1.270 173.341 174.600 0.018 0.000 1.121 417 S CA -1.338 56.875 58.200 0.022 0.000 0.887 417 S CB 3.440 66.643 63.200 0.004 0.000 1.094 417 S HN 0.162 8.587 8.310 0.192 0.000 0.474 418 S N 0.375 116.005 115.700 -0.118 0.000 2.536 418 S HA 0.531 4.836 4.470 -0.435 -0.097 0.271 418 S C -1.811 172.468 174.600 -0.536 0.000 1.134 418 S CA -0.455 57.546 58.200 -0.332 0.000 0.897 418 S CB 3.406 66.526 63.200 -0.133 0.000 1.094 418 S HN 0.566 8.699 8.310 -0.124 0.103 0.473 419 V N 3.846 123.268 119.914 -0.820 0.000 2.638 419 V HA 0.862 4.938 4.120 -0.511 -0.262 0.306 419 V C -1.235 174.349 176.094 -0.850 0.000 1.052 419 V CA -1.420 60.483 62.300 -0.661 0.000 0.885 419 V CB 3.526 35.132 31.823 -0.362 0.000 0.999 419 V HN 0.461 8.352 8.190 -0.919 -0.252 0.424 420 Y N 4.687 124.958 120.300 -0.049 0.000 2.391 420 Y HA 0.233 5.000 4.550 -0.005 -0.220 0.341 420 Y C -1.339 174.598 175.900 0.062 0.000 0.965 420 Y CA -1.482 56.624 58.100 0.011 0.000 1.067 420 Y CB 2.988 41.483 38.460 0.058 0.000 1.199 420 Y HN 0.206 8.403 8.280 -0.137 0.000 0.450 421 L N 1.480 122.849 121.223 0.244 0.000 2.319 421 L HA 0.575 5.237 4.340 0.266 -0.162 0.267 421 L C -0.880 176.209 176.870 0.365 0.000 1.011 421 L CA -0.956 54.037 54.840 0.255 0.000 0.818 421 L CB 3.549 45.703 42.059 0.158 0.000 1.316 421 L HN 0.284 8.803 8.230 0.228 -0.153 0.432 422 W N 2.003 123.391 121.300 0.145 0.000 3.089 422 W HA 0.180 4.895 4.660 0.093 0.000 0.333 422 W C -1.544 175.053 176.519 0.132 0.000 1.053 422 W CA -0.787 56.631 57.345 0.121 0.000 1.257 422 W CB 3.050 32.586 29.460 0.127 0.000 1.281 422 W HN 0.796 9.215 8.180 0.399 0.000 0.427 423 D N 6.131 126.272 120.400 -0.432 0.000 2.461 423 D HA -0.238 4.334 4.640 -0.113 0.000 0.231 423 D C -1.551 174.322 176.300 -0.713 0.000 1.208 423 D CA 0.996 54.737 54.000 -0.432 0.000 0.879 423 D CB 0.344 40.887 40.800 -0.429 0.000 1.220 423 D HN -0.151 8.003 8.370 -0.361 0.000 0.480 424 L N 1.014 122.012 121.223 -0.375 0.000 2.794 424 L HA 0.303 4.339 4.340 -0.508 0.000 0.247 424 L C 0.617 177.332 176.870 -0.260 0.000 1.765 424 L CA -0.584 54.064 54.840 -0.321 0.000 1.880 424 L CB 1.698 43.699 42.059 -0.098 0.000 2.151 424 L HN -0.264 7.842 8.230 -0.207 0.000 0.571 425 D N -0.052 120.258 120.400 -0.150 0.000 2.197 425 D HA -0.163 4.316 4.640 -0.269 0.000 0.212 425 D C -0.064 175.955 176.300 -0.468 0.000 0.963 425 D CA 2.282 56.144 54.000 -0.230 0.000 0.864 425 D CB -0.286 40.493 40.800 -0.034 0.000 1.009 425 D HN 0.398 8.728 8.370 -0.067 0.000 0.479 426 H N -0.747 118.292 119.070 -0.051 0.000 2.549 426 H HA 0.259 4.796 4.556 -0.032 0.000 0.253 426 H C -1.124 174.179 175.328 -0.042 0.000 1.170 426 H CA -0.207 55.818 56.048 -0.039 0.000 0.943 426 H CB 0.143 29.885 29.762 -0.034 0.000 1.849 426 H HN -0.252 8.064 8.280 0.061 0.000 0.603 427 G N -2.392 106.416 108.800 0.014 0.000 2.539 427 G HA2 0.201 4.222 3.960 0.102 0.000 0.138 427 G HA3 0.201 4.252 3.960 -0.119 -0.163 0.138 427 G C -2.832 172.126 174.900 0.097 0.000 1.148 427 G CA 0.543 45.648 45.100 0.010 0.000 1.057 427 G HN -0.387 7.822 8.290 -0.038 0.059 0.511 428 F N -5.255 114.623 119.950 -0.120 0.000 2.746 428 F HA 0.528 5.052 4.527 -0.130 -0.074 0.311 428 F C -3.181 172.598 175.800 -0.035 0.000 1.135 428 F CA -0.895 57.040 58.000 -0.108 0.000 0.954 428 F CB 1.997 40.914 39.000 -0.137 0.000 1.276 428 F HN -0.500 7.449 8.300 -0.584 0.000 0.440 429 A N -1.617 121.298 122.820 0.158 0.000 2.387 429 A HA 0.778 5.144 4.320 -0.065 -0.085 0.298 429 A C -1.986 175.736 177.584 0.231 0.000 1.165 429 A CA -2.214 49.885 52.037 0.104 0.000 0.814 429 A CB 3.503 22.581 19.000 0.130 0.000 1.357 429 A HN 0.064 8.377 8.150 0.272 0.000 0.443 430 G N -3.998 104.871 108.800 0.115 0.000 2.601 430 G HA2 0.543 4.790 3.960 0.138 0.000 0.291 430 G HA3 0.543 4.532 3.960 0.134 0.052 0.291 430 G C -3.676 171.185 174.900 -0.064 0.000 1.456 430 G CA 0.478 45.632 45.100 0.090 0.000 0.804 430 G HN -0.369 7.945 8.290 0.040 0.000 0.499 431 V N 0.036 119.897 119.914 -0.089 0.000 2.577 431 V HA 1.066 5.339 4.120 -0.183 -0.263 0.303 431 V C -2.170 173.839 176.094 -0.142 0.000 1.042 431 V CA -3.359 58.844 62.300 -0.162 0.000 0.872 431 V CB 3.719 35.376 31.823 -0.277 0.000 0.998 431 V HN 0.598 8.684 8.190 0.002 0.105 0.423 432 I N 9.620 130.070 120.570 -0.199 0.000 2.307 432 I HA 0.300 4.335 4.170 -0.465 -0.144 0.289 432 I C -1.003 175.013 176.117 -0.169 0.000 1.021 432 I CA -1.077 59.986 61.300 -0.393 0.000 1.224 432 I CB 0.468 37.970 38.000 -0.830 0.000 1.376 432 I HN 0.517 8.548 8.210 -0.119 0.107 0.470 433 L N 7.258 128.406 121.223 -0.125 0.000 2.322 433 L HA 1.039 5.701 4.340 0.081 -0.273 0.279 433 L C -0.437 176.413 176.870 -0.033 0.000 1.036 433 L CA -1.625 53.221 54.840 0.011 0.000 0.807 433 L CB 2.223 44.341 42.059 0.098 0.000 1.226 433 L HN 1.039 9.040 8.230 -0.196 0.111 0.433 434 I N -0.362 120.229 120.570 0.035 0.000 2.571 434 I HA 0.540 4.851 4.170 -0.105 -0.203 0.286 434 I C -1.867 174.297 176.117 0.077 0.000 1.134 434 I CA -0.754 60.515 61.300 -0.051 0.000 1.052 434 I CB 3.212 41.085 38.000 -0.212 0.000 1.237 434 I HN 0.433 8.712 8.210 0.115 0.000 0.435 435 K N 7.396 127.820 120.400 0.041 0.000 2.376 435 K HA 0.917 5.608 4.320 0.228 -0.235 0.257 435 K C -2.117 174.554 176.600 0.118 0.000 0.939 435 K CA -1.931 54.432 56.287 0.127 0.000 0.809 435 K CB 3.789 36.340 32.500 0.084 0.000 1.121 435 K HN 0.942 9.073 8.250 -0.017 0.109 0.425 436 K N 6.171 126.712 120.400 0.235 0.000 2.578 436 K HA 0.301 4.710 4.320 0.149 0.000 0.250 436 K C -2.627 174.105 176.600 0.219 0.000 0.955 436 K CA -1.648 54.776 56.287 0.228 0.000 0.825 436 K CB 3.179 35.894 32.500 0.358 0.000 1.151 436 K HN 0.349 8.803 8.250 0.339 0.000 0.432 437 A N 6.714 129.617 122.820 0.137 0.000 2.305 437 A HA 0.574 5.118 4.320 0.133 -0.144 0.322 437 A C -0.282 177.360 177.584 0.097 0.000 1.187 437 A CA -1.321 50.781 52.037 0.109 0.000 0.825 437 A CB 1.798 20.831 19.000 0.056 0.000 1.164 437 A HN 0.353 8.568 8.150 0.109 0.000 0.498 438 G N 0.605 109.465 108.800 0.100 0.000 2.621 438 G HA2 -0.037 3.968 3.960 0.076 0.000 0.271 438 G HA3 -0.037 3.974 3.960 0.084 0.000 0.271 438 G C -0.894 174.037 174.900 0.053 0.000 1.236 438 G CA -0.698 44.449 45.100 0.079 0.000 0.958 438 G HN -0.079 8.280 8.290 0.114 0.000 0.512 439 D N -0.430 119.994 120.400 0.040 0.000 2.531 439 D HA -0.176 4.479 4.640 0.024 0.000 0.239 439 D C 0.812 177.128 176.300 0.028 0.000 1.144 439 D CA 1.204 55.220 54.000 0.028 0.000 0.869 439 D CB 0.288 41.101 40.800 0.021 0.000 1.160 439 D HN 0.034 8.428 8.370 0.040 0.000 0.484 440 G N 0.538 109.351 108.800 0.020 0.000 3.088 440 G HA2 -0.094 3.878 3.960 0.020 0.000 0.212 440 G HA3 -0.094 3.872 3.960 0.010 0.000 0.212 440 G C -0.167 174.741 174.900 0.014 0.000 1.173 440 G CA 0.059 45.169 45.100 0.016 0.000 0.779 440 G HN 0.307 8.607 8.290 0.017 0.000 0.540 441 S N -1.988 113.721 115.700 0.014 0.000 2.559 441 S HA 0.029 4.505 4.470 0.011 0.000 0.226 441 S C -0.287 174.321 174.600 0.014 0.000 1.000 441 S CA -0.276 57.931 58.200 0.012 0.000 0.948 441 S CB 0.189 63.394 63.200 0.008 0.000 0.870 441 S HN -0.435 7.790 8.310 0.016 0.094 0.497 442 K N 3.635 124.046 120.400 0.018 0.000 2.118 442 K HA 0.087 4.416 4.320 0.015 0.000 0.264 442 K C 0.460 177.074 176.600 0.025 0.000 1.000 442 K CA -0.515 55.784 56.287 0.019 0.000 0.929 442 K CB 1.145 33.658 32.500 0.021 0.000 1.021 442 K HN -0.865 7.348 8.250 0.021 0.050 0.463 443 K N 0.906 121.319 120.400 0.023 0.000 2.063 443 K HA -0.263 4.073 4.320 0.027 0.000 0.208 443 K C 0.090 176.714 176.600 0.040 0.000 1.048 443 K CA 1.960 58.264 56.287 0.028 0.000 0.928 443 K CB -0.036 32.478 32.500 0.023 0.000 0.713 443 K HN 0.200 8.461 8.250 0.018 0.000 0.442 444 I N -3.517 117.079 120.570 0.042 0.000 2.385 444 I HA 0.047 4.377 4.170 0.073 -0.116 0.294 444 I C -0.387 175.775 176.117 0.075 0.000 0.988 444 I CA -0.835 60.502 61.300 0.062 0.000 1.265 444 I CB 0.876 38.908 38.000 0.052 0.000 1.388 444 I HN -0.646 7.583 8.210 0.033 0.000 0.480 445 K N 6.284 126.747 120.400 0.106 0.000 2.156 445 K HA 0.416 4.787 4.320 0.086 0.000 0.250 445 K C -1.013 175.689 176.600 0.169 0.000 0.955 445 K CA -1.718 54.636 56.287 0.113 0.000 0.855 445 K CB 3.578 36.137 32.500 0.099 0.000 1.101 445 K HN 0.488 8.812 8.250 0.124 0.000 0.434 446 G N 0.098 108.993 108.800 0.157 0.000 2.696 446 G HA2 0.578 4.934 3.960 0.289 0.000 0.295 446 G HA3 0.578 4.655 3.960 0.196 0.000 0.295 446 G C -2.473 172.544 174.900 0.195 0.000 1.398 446 G CA -0.351 44.876 45.100 0.213 0.000 0.920 446 G HN -0.066 8.293 8.290 0.116 0.000 0.492 447 C N 1.697 121.148 119.300 0.251 0.000 2.701 447 C HA 0.623 5.376 4.460 0.212 -0.166 0.336 447 C C -2.345 172.827 174.990 0.304 0.000 1.123 447 C CA -0.792 58.361 59.018 0.226 0.000 1.326 447 C CB 3.012 30.815 27.740 0.106 0.000 1.833 447 C HN 0.317 8.732 8.230 0.309 0.000 0.473 448 W N 8.289 129.681 121.300 0.152 0.000 2.361 448 W HA 0.396 5.149 4.660 0.155 0.000 0.314 448 W C -2.634 173.987 176.519 0.170 0.000 1.041 448 W CA -1.822 55.628 57.345 0.175 0.000 1.241 448 W CB 2.460 32.057 29.460 0.228 0.000 1.279 448 W HN 0.970 9.300 8.180 0.430 0.108 0.436 449 D N 10.187 130.595 120.400 0.013 0.000 2.256 449 D HA 0.694 5.645 4.640 0.253 -0.159 0.240 449 D C -1.249 175.111 176.300 0.099 0.000 1.062 449 D CA -0.674 53.399 54.000 0.121 0.000 0.832 449 D CB 3.436 44.270 40.800 0.056 0.000 1.135 449 D HN -0.135 8.065 8.370 -0.283 0.000 0.484 450 S N 3.779 119.673 115.700 0.323 0.000 2.498 450 S HA 0.364 5.038 4.470 0.340 0.000 0.317 450 S C -2.389 172.389 174.600 0.297 0.000 1.090 450 S CA -1.060 57.388 58.200 0.413 0.000 1.089 450 S CB 1.145 64.733 63.200 0.646 0.000 0.997 450 S HN 0.865 9.259 8.310 0.314 0.105 0.470 451 I N 7.585 128.267 120.570 0.187 0.000 2.466 451 I HA 0.242 4.619 4.170 0.170 -0.106 0.279 451 I C -1.712 174.404 176.117 -0.002 0.000 1.033 451 I CA -0.775 60.598 61.300 0.123 0.000 1.123 451 I CB 1.815 39.856 38.000 0.069 0.000 1.237 451 I HN 0.115 8.364 8.210 0.065 0.000 0.460 452 H N 7.781 126.828 119.070 -0.038 0.000 2.459 452 H HA 0.406 4.949 4.556 -0.020 0.000 0.332 452 H C -1.615 173.647 175.328 -0.110 0.000 1.094 452 H CA -1.349 54.664 56.048 -0.057 0.000 1.224 452 H CB 3.394 33.109 29.762 -0.078 0.000 1.449 452 H HN 0.493 8.954 8.280 0.301 0.000 0.484 453 V N 5.643 125.550 119.914 -0.012 0.000 2.340 453 V HA 0.358 4.569 4.120 -0.157 -0.185 0.277 453 V C -1.382 174.699 176.094 -0.023 0.000 1.017 453 V CA -1.055 61.191 62.300 -0.090 0.000 0.820 453 V CB 0.992 32.736 31.823 -0.131 0.000 1.028 453 V HN 0.502 8.685 8.190 -0.012 0.000 0.436 454 V N 8.155 128.071 119.914 0.002 0.000 2.716 454 V HA 0.240 4.592 4.120 0.042 -0.207 0.304 454 V C -1.947 174.140 176.094 -0.012 0.000 1.053 454 V CA -2.501 59.820 62.300 0.035 0.000 0.984 454 V CB 3.720 35.604 31.823 0.103 0.000 1.021 454 V HN -0.287 7.898 8.190 -0.008 0.000 0.467 455 E N 6.018 126.195 120.200 -0.038 0.000 2.325 455 E HA 0.246 4.512 4.350 -0.140 0.000 0.248 455 E C -1.022 175.426 176.600 -0.255 0.000 0.912 455 E CA -1.284 55.045 56.400 -0.117 0.000 0.782 455 E CB 1.671 31.345 29.700 -0.044 0.000 1.264 455 E HN -0.457 7.803 8.360 -0.003 0.098 0.417 456 V N 4.960 124.562 119.914 -0.521 0.000 2.614 456 V HA -0.073 3.706 4.120 -0.829 -0.156 0.291 456 V C -0.835 174.936 176.094 -0.537 0.000 1.049 456 V CA -0.001 61.832 62.300 -0.778 0.000 1.038 456 V CB 0.866 31.904 31.823 -1.309 0.000 0.980 456 V HN 0.030 7.857 8.190 -0.605 0.000 0.481 457 Q N 6.468 126.030 119.800 -0.397 0.000 2.851 457 Q HA 0.249 4.498 4.340 -0.152 0.000 0.331 457 Q C -0.914 175.017 176.000 -0.115 0.000 0.979 457 Q CA -2.093 53.603 55.803 -0.178 0.000 0.955 457 Q CB 0.882 29.581 28.738 -0.065 0.000 1.298 457 Q HN 0.254 8.132 8.270 -0.508 0.087 0.432 458 E N 2.200 122.343 120.200 -0.095 0.000 2.565 458 E HA -0.299 4.078 4.350 0.046 0.000 0.268 458 E C -0.850 175.769 176.600 0.032 0.000 1.000 458 E CA 1.500 57.913 56.400 0.022 0.000 0.964 458 E CB 0.527 30.283 29.700 0.092 0.000 0.955 458 E HN 0.175 8.442 8.360 -0.155 0.000 0.459 459 K N 2.446 122.876 120.400 0.049 0.000 2.164 459 K HA 0.151 4.480 4.320 0.014 0.000 0.258 459 K C 1.061 177.687 176.600 0.043 0.000 0.951 459 K CA -1.140 55.167 56.287 0.033 0.000 0.844 459 K CB 1.331 33.849 32.500 0.031 0.000 1.099 459 K HN -0.078 8.215 8.250 0.072 0.000 0.435 460 S N 5.331 121.050 115.700 0.031 0.000 2.368 460 S HA -0.303 4.195 4.470 0.047 0.000 0.226 460 S C -0.109 174.511 174.600 0.033 0.000 1.044 460 S CA 1.973 60.194 58.200 0.035 0.000 1.062 460 S CB -0.012 63.200 63.200 0.021 0.000 0.931 460 S HN 0.323 8.642 8.310 0.015 0.000 0.440 461 S N -1.520 114.195 115.700 0.025 0.000 2.542 461 S HA 0.118 4.605 4.470 0.029 0.000 0.293 461 S C -0.040 174.576 174.600 0.028 0.000 1.089 461 S CA -0.713 57.502 58.200 0.025 0.000 0.961 461 S CB 1.881 65.091 63.200 0.017 0.000 1.062 461 S HN -0.617 7.705 8.310 0.019 0.000 0.483 462 G N 2.786 111.604 108.800 0.030 0.000 2.218 462 G HA2 -0.359 3.617 3.960 0.027 0.000 0.216 462 G HA3 -0.359 3.620 3.960 0.032 0.000 0.216 462 G C -0.017 174.908 174.900 0.042 0.000 0.994 462 G CA 0.218 45.337 45.100 0.032 0.000 0.637 462 G HN 0.423 8.730 8.290 0.029 0.000 0.505 463 R N -4.073 116.457 120.500 0.050 0.000 4.024 463 R HA -0.388 4.000 4.340 0.080 0.000 0.391 463 R C -1.230 175.118 176.300 0.080 0.000 1.157 463 R CA 1.035 57.173 56.100 0.065 0.000 1.215 463 R CB -1.071 29.255 30.300 0.044 0.000 1.738 463 R HN 0.149 8.371 8.270 0.048 0.077 0.566 464 T N -1.141 113.459 114.554 0.075 0.000 2.761 464 T HA 0.002 4.515 4.350 0.116 -0.093 0.296 464 T C -0.878 173.882 174.700 0.099 0.000 0.934 464 T CA 0.230 62.388 62.100 0.098 0.000 1.091 464 T CB 0.577 69.497 68.868 0.086 0.000 0.896 464 T HN -0.502 7.640 8.240 0.061 0.136 0.515 465 A N 7.491 130.380 122.820 0.114 0.000 2.337 465 A HA 0.262 4.721 4.320 0.000 -0.139 0.331 465 A C -2.253 175.286 177.584 -0.075 0.000 1.137 465 A CA -1.920 50.104 52.037 -0.021 0.000 0.807 465 A CB 3.191 22.112 19.000 -0.132 0.000 1.250 465 A HN -0.172 8.090 8.150 0.186 0.000 0.468 466 H N 1.896 120.824 119.070 -0.236 0.000 2.562 466 H HA 0.228 4.789 4.556 0.009 0.000 0.314 466 H C -1.172 173.964 175.328 -0.320 0.000 1.079 466 H CA -0.173 55.786 56.048 -0.149 0.000 1.349 466 H CB 0.816 30.529 29.762 -0.082 0.000 1.432 466 H HN -0.173 7.977 8.280 -0.043 0.104 0.479 467 Y N 5.742 125.858 120.300 -0.307 0.000 2.342 467 Y HA 0.202 4.804 4.550 -0.128 -0.129 0.334 467 Y C -0.685 175.093 175.900 -0.203 0.000 1.067 467 Y CA -0.680 57.305 58.100 -0.191 0.000 1.128 467 Y CB 2.325 40.709 38.460 -0.128 0.000 1.200 467 Y HN -0.135 8.018 8.280 -0.211 0.000 0.464 468 K N 4.138 124.556 120.400 0.030 0.000 2.701 468 K HA 0.373 4.848 4.320 0.014 -0.147 0.212 468 K C -1.373 175.253 176.600 0.043 0.000 1.035 468 K CA -1.056 55.246 56.287 0.026 0.000 1.048 468 K CB 1.932 34.452 32.500 0.033 0.000 1.234 468 K HN 0.335 8.604 8.250 0.032 0.000 0.540 469 L N 4.864 126.119 121.223 0.054 0.000 2.439 469 L HA 0.224 4.721 4.340 0.060 -0.121 0.261 469 L C -1.673 175.215 176.870 0.029 0.000 1.153 469 L CA 0.417 55.291 54.840 0.056 0.000 0.808 469 L CB 2.755 44.862 42.059 0.079 0.000 1.126 469 L HN -0.087 8.174 8.230 0.052 0.000 0.460 470 T N 1.647 116.207 114.554 0.009 0.000 3.999 470 T HA 0.236 4.719 4.350 -0.015 -0.143 0.222 470 T C -1.384 173.267 174.700 -0.081 0.000 0.996 470 T CA -0.874 61.215 62.100 -0.019 0.000 1.598 470 T CB 0.274 69.142 68.868 -0.000 0.000 0.762 470 T HN 0.011 8.260 8.240 0.016 0.000 0.632 471 S N 3.880 119.479 115.700 -0.167 0.000 2.598 471 S HA 0.089 4.476 4.470 -0.503 -0.218 0.256 471 S C -0.317 174.128 174.600 -0.258 0.000 1.350 471 S CA 0.042 57.978 58.200 -0.439 0.000 0.984 471 S CB 1.655 64.358 63.200 -0.828 0.000 0.930 471 S HN -0.031 8.215 8.310 -0.107 0.000 0.577 472 T N 1.105 115.494 114.554 -0.275 0.000 3.706 472 T HA 0.186 4.669 4.350 -0.119 -0.204 0.292 472 T C -0.686 173.934 174.700 -0.133 0.000 0.693 472 T CA 0.106 62.121 62.100 -0.141 0.000 1.126 472 T CB 0.594 69.416 68.868 -0.078 0.000 1.043 472 T HN -0.452 7.537 8.240 -0.418 0.000 0.501 473 V N 7.444 127.262 119.914 -0.161 0.000 2.740 473 V HA 0.111 4.296 4.120 -0.234 -0.207 0.303 473 V C -1.350 174.552 176.094 -0.320 0.000 1.054 473 V CA 0.866 62.988 62.300 -0.296 0.000 1.106 473 V CB 0.925 32.463 31.823 -0.475 0.000 0.957 473 V HN 0.095 8.201 8.190 -0.140 0.000 0.486 474 M N 7.385 126.762 119.600 -0.371 0.000 2.006 474 M HA 0.397 4.911 4.480 -0.132 -0.114 0.314 474 M C -2.153 174.010 176.300 -0.229 0.000 0.926 474 M CA -1.099 54.085 55.300 -0.193 0.000 0.906 474 M CB 1.640 34.217 32.600 -0.038 0.000 1.422 474 M HN 0.572 8.475 8.290 -0.474 0.102 0.397 475 L N 8.402 129.471 121.223 -0.256 0.000 2.305 475 L HA 0.450 4.820 4.340 -0.197 -0.148 0.281 475 L C -2.058 174.880 176.870 0.114 0.000 1.085 475 L CA -0.398 54.311 54.840 -0.219 0.000 0.813 475 L CB 1.862 43.520 42.059 -0.668 0.000 1.157 475 L HN 0.199 8.292 8.230 -0.229 0.000 0.436 476 W N 8.200 129.515 121.300 0.025 0.000 2.739 476 W HA 0.337 5.076 4.660 0.131 0.000 0.331 476 W C -3.191 173.403 176.519 0.125 0.000 1.049 476 W CA -1.087 56.315 57.345 0.095 0.000 1.234 476 W CB 3.383 32.881 29.460 0.064 0.000 1.404 476 W HN 0.538 8.888 8.180 0.284 0.000 0.477 477 L N 7.048 128.415 121.223 0.239 0.000 2.439 477 L HA 0.516 5.277 4.340 0.398 -0.182 0.270 477 L C -2.306 174.707 176.870 0.238 0.000 0.972 477 L CA -1.052 53.974 54.840 0.310 0.000 0.836 477 L CB 3.265 45.483 42.059 0.264 0.000 1.255 477 L HN 0.253 8.262 8.230 -0.228 0.084 0.404 478 Q N 4.438 124.438 119.800 0.333 0.000 2.456 478 Q HA 1.113 5.791 4.340 0.187 -0.225 0.283 478 Q C -1.873 174.232 176.000 0.175 0.000 1.084 478 Q CA -1.835 54.130 55.803 0.270 0.000 0.801 478 Q CB 4.987 33.984 28.738 0.432 0.000 1.434 478 Q HN 0.206 8.682 8.270 0.344 0.000 0.419 479 T N 2.688 117.318 114.554 0.127 0.000 3.435 479 T HA 0.266 4.668 4.350 0.088 0.000 0.344 479 T C -2.000 172.742 174.700 0.070 0.000 1.211 479 T CA 0.051 62.205 62.100 0.089 0.000 1.104 479 T CB 1.344 70.255 68.868 0.072 0.000 1.196 479 T HN 0.094 8.408 8.240 0.124 0.000 0.471 480 N N 8.286 127.021 118.700 0.059 0.000 3.194 480 N HA 0.515 5.522 4.740 0.047 -0.239 0.271 480 N C -1.249 174.282 175.510 0.035 0.000 1.308 480 N CA -0.958 52.120 53.050 0.047 0.000 1.042 480 N CB 0.115 38.629 38.487 0.045 0.000 1.310 480 N HN 0.411 8.827 8.380 0.059 0.000 0.502 481 K N 1.347 121.766 120.400 0.032 0.000 2.156 481 K HA 0.208 4.542 4.320 0.023 0.000 0.254 481 K C 0.183 176.796 176.600 0.021 0.000 0.950 481 K CA -1.911 54.391 56.287 0.025 0.000 0.849 481 K CB 2.333 34.847 32.500 0.024 0.000 1.100 481 K HN -0.684 7.587 8.250 0.035 0.000 0.434 482 T N 5.371 119.935 114.554 0.017 0.000 2.684 482 T HA -0.287 4.072 4.350 0.014 0.000 0.267 482 T C 2.395 177.103 174.700 0.013 0.000 1.036 482 T CA 4.448 66.556 62.100 0.014 0.000 1.148 482 T CB -0.297 68.578 68.868 0.011 0.000 0.863 482 T HN 0.509 8.758 8.240 0.016 0.000 0.436 483 G N 1.654 110.462 108.800 0.012 0.000 2.448 483 G HA2 -0.124 3.842 3.960 0.009 0.000 0.219 483 G HA3 -0.124 3.842 3.960 0.011 0.000 0.219 483 G C -0.311 174.596 174.900 0.012 0.000 1.127 483 G CA 1.158 46.265 45.100 0.011 0.000 0.766 483 G HN 0.323 8.621 8.290 0.013 0.000 0.552 484 S N -0.308 115.401 115.700 0.016 0.000 2.819 484 S HA 0.209 4.687 4.470 0.014 0.000 0.249 484 S C 1.016 175.628 174.600 0.020 0.000 1.030 484 S CA -0.851 57.360 58.200 0.018 0.000 1.052 484 S CB 1.145 64.358 63.200 0.022 0.000 1.017 484 S HN -0.797 7.363 8.310 0.017 0.160 0.576 485 G N 3.635 112.446 108.800 0.019 0.000 2.740 485 G HA2 -0.462 3.504 3.960 0.020 0.000 0.365 485 G HA3 -0.462 3.508 3.960 0.018 0.000 0.365 485 G C -1.661 173.256 174.900 0.028 0.000 1.135 485 G CA 1.881 46.994 45.100 0.021 0.000 0.948 485 G HN 0.427 8.499 8.290 0.017 0.228 0.629 486 T N -0.619 113.952 114.554 0.028 0.000 2.864 486 T HA 0.319 4.840 4.350 0.046 -0.143 0.299 486 T C -1.530 173.190 174.700 0.033 0.000 1.011 486 T CA -1.622 60.501 62.100 0.037 0.000 0.975 486 T CB 1.220 70.111 68.868 0.038 0.000 0.962 486 T HN -0.555 7.698 8.240 0.022 0.000 0.448 487 M N 7.477 127.102 119.600 0.042 0.000 2.142 487 M HA 0.297 4.786 4.480 0.014 0.000 0.299 487 M C -2.731 173.590 176.300 0.036 0.000 0.960 487 M CA -0.258 55.061 55.300 0.030 0.000 0.920 487 M CB 2.886 35.506 32.600 0.033 0.000 1.541 487 M HN 0.338 8.660 8.290 0.054 0.000 0.429 488 N N 6.514 125.210 118.700 -0.006 0.000 2.407 488 N HA 0.572 5.472 4.740 -0.011 -0.167 0.277 488 N C -1.200 174.223 175.510 -0.145 0.000 0.995 488 N CA -0.407 52.604 53.050 -0.064 0.000 0.903 488 N CB 2.137 40.570 38.487 -0.090 0.000 1.218 488 N HN 0.349 8.717 8.380 -0.020 0.000 0.487 489 L N 5.251 126.380 121.223 -0.156 0.000 2.488 489 L HA 0.395 4.619 4.340 -0.195 0.000 0.250 489 L C -1.586 175.195 176.870 -0.148 0.000 1.280 489 L CA -0.628 54.131 54.840 -0.135 0.000 0.929 489 L CB 0.551 42.627 42.059 0.027 0.000 1.200 489 L HN 0.913 8.942 8.230 -0.123 0.127 0.495 490 G N 0.968 109.528 108.800 -0.399 0.000 2.828 490 G HA2 0.595 4.660 3.960 -0.078 0.000 0.244 490 G HA3 0.595 4.075 3.960 -0.798 0.000 0.244 490 G C -1.722 173.078 174.900 -0.167 0.000 1.365 490 G CA -1.433 43.450 45.100 -0.362 0.000 1.041 490 G HN -0.352 7.651 8.290 -0.480 0.000 0.560 491 G N -1.474 107.290 108.800 -0.060 0.000 2.292 491 G HA2 -0.070 3.838 3.960 -0.086 0.000 0.194 491 G HA3 -0.070 3.852 3.960 -0.063 0.000 0.194 491 G C -2.579 172.350 174.900 0.049 0.000 1.329 491 G CA -0.088 44.996 45.100 -0.027 0.000 1.100 491 G HN -0.455 7.806 8.290 -0.049 0.000 0.470 492 S N -0.798 114.930 115.700 0.046 0.000 2.804 492 S HA 0.013 4.552 4.470 -0.047 -0.097 0.296 492 S C -2.066 172.521 174.600 -0.021 0.000 0.865 492 S CA -0.267 57.927 58.200 -0.010 0.000 0.809 492 S CB 1.750 64.933 63.200 -0.027 0.000 1.011 492 S HN -0.057 8.274 8.310 0.036 0.000 0.495 493 L N 3.007 124.202 121.223 -0.046 0.000 2.334 493 L HA 0.435 4.759 4.340 -0.027 0.000 0.273 493 L C -0.773 176.066 176.870 -0.052 0.000 1.013 493 L CA -1.198 53.620 54.840 -0.037 0.000 0.816 493 L CB 2.612 44.657 42.059 -0.023 0.000 1.278 493 L HN 0.321 8.495 8.230 -0.092 0.000 0.431 494 T N -1.679 112.853 114.554 -0.038 0.000 2.876 494 T HA 0.343 4.775 4.350 -0.060 -0.118 0.289 494 T C -0.673 174.011 174.700 -0.027 0.000 1.014 494 T CA -1.366 60.709 62.100 -0.041 0.000 0.986 494 T CB 1.838 70.687 68.868 -0.031 0.000 1.021 494 T HN 0.064 8.286 8.240 -0.029 0.000 0.458 495 R N 3.507 123.989 120.500 -0.030 0.000 2.522 495 R HA 0.351 4.687 4.340 -0.006 0.000 0.283 495 R C -1.295 175.000 176.300 -0.009 0.000 1.074 495 R CA -0.773 55.320 56.100 -0.012 0.000 0.925 495 R CB 3.650 33.949 30.300 -0.002 0.000 1.205 495 R HN -0.083 8.158 8.270 -0.049 0.000 0.436 496 Q N 2.279 122.080 119.800 0.002 0.000 2.212 496 Q HA 0.186 4.652 4.340 0.006 -0.122 0.238 496 Q C -1.033 174.978 176.000 0.018 0.000 0.955 496 Q CA -0.578 55.231 55.803 0.010 0.000 0.906 496 Q CB 1.772 30.519 28.738 0.015 0.000 1.215 496 Q HN 0.223 8.496 8.270 0.004 0.000 0.478 497 M N 0.552 120.166 119.600 0.023 0.000 2.333 497 M HA 0.176 4.670 4.480 0.023 0.000 0.286 497 M C -3.005 173.305 176.300 0.018 0.000 1.113 497 M CA 0.108 55.421 55.300 0.023 0.000 0.959 497 M CB 4.149 36.764 32.600 0.025 0.000 1.776 497 M HN 0.247 8.551 8.290 0.024 0.000 0.492 498 E N 3.110 123.317 120.200 0.012 0.000 2.293 498 E HA 0.959 5.463 4.350 -0.057 -0.188 0.270 498 E C -1.279 175.288 176.600 -0.055 0.000 0.879 498 E CA -1.651 54.735 56.400 -0.023 0.000 0.756 498 E CB 2.979 32.711 29.700 0.053 0.000 1.208 498 E HN 0.062 8.435 8.360 0.021 0.000 0.428 499 K N 1.115 121.393 120.400 -0.204 0.000 2.622 499 K HA 0.147 4.457 4.320 -0.017 0.000 0.273 499 K C -2.745 173.735 176.600 -0.200 0.000 0.957 499 K CA -0.256 55.958 56.287 -0.122 0.000 0.861 499 K CB 2.938 35.417 32.500 -0.035 0.000 1.405 499 K HN 0.013 8.052 8.250 -0.351 0.000 0.406 500 D N 2.961 123.371 120.400 0.016 0.000 2.249 500 D HA 0.029 4.758 4.640 0.148 0.000 0.246 500 D C -0.839 175.542 176.300 0.135 0.000 1.114 500 D CA -0.064 54.031 54.000 0.159 0.000 0.854 500 D CB 0.220 41.200 40.800 0.300 0.000 1.132 500 D HN 0.170 8.602 8.370 0.104 0.000 0.461 501 E N 3.193 123.513 120.200 0.201 0.000 2.320 501 E HA 0.427 4.815 4.350 0.065 0.000 0.264 501 E C -0.630 176.060 176.600 0.150 0.000 0.923 501 E CA -2.101 54.373 56.400 0.122 0.000 0.796 501 E CB 4.249 33.947 29.700 -0.003 0.000 1.262 501 E HN -0.132 8.428 8.360 0.333 0.000 0.428 502 T N -1.531 113.069 114.554 0.075 0.000 2.806 502 T HA 0.099 4.498 4.350 0.082 0.000 0.290 502 T C -0.395 174.327 174.700 0.038 0.000 0.966 502 T CA -0.852 61.285 62.100 0.061 0.000 1.060 502 T CB 0.827 69.714 68.868 0.032 0.000 0.927 502 T HN 0.101 8.364 8.240 0.039 0.000 0.485 503 V N 6.599 126.532 119.914 0.033 0.000 2.383 503 V HA 0.223 4.476 4.120 -0.070 -0.175 0.275 503 V C -0.882 175.182 176.094 -0.050 0.000 1.036 503 V CA -0.860 61.413 62.300 -0.045 0.000 0.889 503 V CB 0.444 32.208 31.823 -0.099 0.000 0.985 503 V HN 0.281 8.504 8.190 0.054 0.000 0.459 504 S N 6.232 121.894 115.700 -0.064 0.000 2.794 504 S HA 0.258 4.710 4.470 -0.031 0.000 0.299 504 S C -1.054 173.518 174.600 -0.046 0.000 1.179 504 S CA -1.239 56.937 58.200 -0.041 0.000 0.838 504 S CB 3.134 66.320 63.200 -0.024 0.000 1.206 504 S HN 0.226 8.368 8.310 -0.081 0.120 0.523 505 D N 0.157 120.540 120.400 -0.028 0.000 2.144 505 D HA -0.082 4.544 4.640 -0.024 0.000 0.200 505 D C 0.901 177.185 176.300 -0.026 0.000 0.978 505 D CA 3.074 57.060 54.000 -0.023 0.000 0.833 505 D CB -0.130 40.662 40.800 -0.014 0.000 0.961 505 D HN 0.441 8.799 8.370 -0.020 0.000 0.470 506 S N -2.910 112.775 115.700 -0.026 0.000 2.496 506 S HA -0.067 4.389 4.470 -0.023 0.000 0.224 506 S C 0.396 174.975 174.600 -0.035 0.000 0.996 506 S CA 1.291 59.475 58.200 -0.026 0.000 0.927 506 S CB 0.852 64.040 63.200 -0.021 0.000 0.774 506 S HN -0.495 7.788 8.310 -0.023 0.013 0.524 507 S N 2.135 117.809 115.700 -0.044 0.000 2.204 507 S HA 0.468 4.904 4.470 -0.057 0.000 0.147 507 S C -2.146 172.406 174.600 -0.080 0.000 1.711 507 S CA -3.146 55.020 58.200 -0.057 0.000 1.274 507 S CB 0.415 63.583 63.200 -0.052 0.000 1.257 507 S HN -0.640 7.494 8.310 -0.042 0.150 0.404 508 P HA 0.392 4.758 4.420 -0.208 -0.072 0.293 508 P C 0.574 177.814 177.300 -0.100 0.000 1.298 508 P CA -0.706 62.319 63.100 -0.124 0.000 0.757 508 P CB 1.155 32.829 31.700 -0.043 0.000 1.262 509 H N -1.620 117.540 119.070 0.150 0.000 2.253 509 H HA -0.272 4.501 4.556 0.361 0.000 0.296 509 H C 2.788 178.205 175.328 0.148 0.000 1.074 509 H CA 3.992 60.199 56.048 0.266 0.000 1.263 509 H CB -0.170 29.834 29.762 0.403 0.000 1.363 509 H HN 0.253 8.440 8.280 -0.155 0.000 0.489 510 I N -1.215 119.498 120.570 0.238 0.000 2.143 510 I HA -0.574 3.681 4.170 0.142 0.000 0.245 510 I C 1.394 177.484 176.117 -0.046 0.000 1.068 510 I CA 4.215 65.566 61.300 0.085 0.000 1.326 510 I CB -0.971 37.039 38.000 0.017 0.000 1.028 510 I HN 0.048 8.424 8.210 0.276 0.000 0.412 511 A N -1.329 121.458 122.820 -0.055 0.000 1.892 511 A HA -0.434 3.808 4.320 -0.129 0.000 0.218 511 A C 1.987 179.491 177.584 -0.132 0.000 1.188 511 A CA 3.316 55.292 52.037 -0.102 0.000 0.631 511 A CB -0.942 18.011 19.000 -0.079 0.000 0.822 511 A HN 0.006 8.145 8.150 -0.020 -0.001 0.447 512 N N -1.340 117.268 118.700 -0.154 0.000 2.084 512 N HA -0.282 4.296 4.740 -0.270 0.000 0.190 512 N C 2.390 177.705 175.510 -0.325 0.000 1.030 512 N CA 3.267 56.127 53.050 -0.317 0.000 0.849 512 N CB -0.068 38.076 38.487 -0.572 0.000 1.012 512 N HN -0.466 7.781 8.380 -0.100 0.073 0.423 513 I N -0.560 119.900 120.570 -0.184 0.000 2.361 513 I HA -0.435 3.690 4.170 -0.074 0.000 0.251 513 I C 1.770 177.877 176.117 -0.016 0.000 1.133 513 I CA 3.926 65.209 61.300 -0.027 0.000 1.413 513 I CB -0.584 37.531 38.000 0.191 0.000 1.073 513 I HN 0.630 8.681 8.210 -0.082 0.110 0.424 514 G N -0.674 108.047 108.800 -0.132 0.000 2.404 514 G HA2 -0.306 3.462 3.960 -0.320 0.000 0.215 514 G HA3 -0.306 3.438 3.960 -0.360 0.000 0.215 514 G C 0.819 175.619 174.900 -0.166 0.000 1.174 514 G CA 1.973 46.915 45.100 -0.264 0.000 0.780 514 G HN 0.489 8.479 8.290 -0.147 0.211 0.537 515 R N 2.086 122.511 120.500 -0.126 0.000 2.091 515 R HA -0.373 3.943 4.340 -0.040 0.000 0.238 515 R C 2.423 178.694 176.300 -0.049 0.000 1.136 515 R CA 3.393 59.449 56.100 -0.074 0.000 0.959 515 R CB -0.229 30.018 30.300 -0.088 0.000 0.856 515 R HN -0.347 7.836 8.270 -0.145 0.000 0.437 516 L N -0.716 120.466 121.223 -0.068 0.000 1.994 516 L HA -0.307 4.023 4.340 -0.016 0.000 0.208 516 L C 1.848 178.739 176.870 0.036 0.000 1.071 516 L CA 3.565 58.393 54.840 -0.021 0.000 0.745 516 L CB -0.466 41.574 42.059 -0.032 0.000 0.892 516 L HN -0.417 7.746 8.230 -0.111 0.000 0.431 517 V N -0.201 119.732 119.914 0.031 0.000 2.287 517 V HA -0.607 3.634 4.120 0.202 0.000 0.248 517 V C 2.042 178.150 176.094 0.024 0.000 1.053 517 V CA 4.971 67.294 62.300 0.039 0.000 1.027 517 V CB -0.365 31.400 31.823 -0.096 0.000 0.646 517 V HN -0.096 8.099 8.190 0.009 0.000 0.447 518 E N 0.536 120.713 120.200 -0.038 0.000 2.038 518 E HA -0.385 4.082 4.350 0.196 0.000 0.195 518 E C 2.230 178.893 176.600 0.104 0.000 1.000 518 E CA 3.132 59.593 56.400 0.102 0.000 0.803 518 E CB -0.477 29.333 29.700 0.184 0.000 0.750 518 E HN 0.080 8.383 8.360 -0.095 0.000 0.448 519 D N -0.427 120.021 120.400 0.079 0.000 2.144 519 D HA -0.225 4.462 4.640 0.079 0.000 0.199 519 D C 2.262 178.610 176.300 0.081 0.000 0.984 519 D CA 2.863 56.906 54.000 0.073 0.000 0.834 519 D CB -0.257 40.572 40.800 0.049 0.000 0.955 519 D HN -0.189 8.214 8.370 0.056 0.000 0.465 520 M N 0.221 119.883 119.600 0.103 0.000 2.086 520 M HA -0.349 4.186 4.480 0.091 0.000 0.261 520 M C 1.894 178.290 176.300 0.160 0.000 1.067 520 M CA 3.306 58.682 55.300 0.127 0.000 1.116 520 M CB 0.069 32.771 32.600 0.170 0.000 1.348 520 M HN 0.240 8.394 8.290 0.101 0.197 0.407 521 E N -0.584 119.745 120.200 0.215 0.000 2.051 521 E HA -0.435 4.118 4.350 0.338 0.000 0.192 521 E C 2.197 178.855 176.600 0.097 0.000 0.991 521 E CA 3.608 60.146 56.400 0.230 0.000 0.799 521 E CB -0.281 29.547 29.700 0.215 0.000 0.748 521 E HN 0.326 8.710 8.360 0.220 0.108 0.449 522 N N -1.284 117.426 118.700 0.017 0.000 2.104 522 N HA -0.345 4.366 4.740 -0.049 0.000 0.190 522 N C 2.090 177.636 175.510 0.061 0.000 1.024 522 N CA 3.072 56.128 53.050 0.010 0.000 0.853 522 N CB 0.230 38.746 38.487 0.049 0.000 1.008 522 N HN -0.086 8.311 8.380 0.028 0.000 0.424 523 K N -0.413 120.031 120.400 0.073 0.000 2.103 523 K HA -0.199 4.158 4.320 0.061 0.000 0.204 523 K C 2.506 179.153 176.600 0.078 0.000 1.052 523 K CA 2.910 59.238 56.287 0.068 0.000 0.945 523 K CB 0.048 32.583 32.500 0.060 0.000 0.722 523 K HN -0.485 7.804 8.250 0.077 0.007 0.443 524 I N -1.142 119.491 120.570 0.105 0.000 2.676 524 I HA -0.107 4.104 4.170 0.068 0.000 0.259 524 I C 2.255 178.467 176.117 0.158 0.000 1.194 524 I CA 1.427 62.793 61.300 0.111 0.000 1.473 524 I CB -1.167 36.910 38.000 0.128 0.000 1.096 524 I HN 0.069 8.269 8.210 0.118 0.081 0.443 525 R N -0.350 120.273 120.500 0.204 0.000 2.148 525 R HA -0.258 4.335 4.340 0.421 0.000 0.227 525 R C 2.340 178.725 176.300 0.142 0.000 1.103 525 R CA 3.342 59.584 56.100 0.236 0.000 0.983 525 R CB -0.446 29.918 30.300 0.106 0.000 0.874 525 R HN 0.269 8.412 8.270 0.164 0.225 0.451 526 S N -2.912 112.846 115.700 0.098 0.000 2.421 526 S HA -0.057 4.465 4.470 0.088 0.000 0.224 526 S C 1.358 175.991 174.600 0.056 0.000 1.035 526 S CA 3.283 61.529 58.200 0.077 0.000 0.953 526 S CB -0.204 63.035 63.200 0.064 0.000 0.810 526 S HN -0.647 7.590 8.310 0.094 0.130 0.497 527 T N 2.850 117.432 114.554 0.046 0.000 2.821 527 T HA -0.222 4.142 4.350 0.023 0.000 0.267 527 T C 1.728 176.432 174.700 0.008 0.000 1.046 527 T CA 3.151 65.266 62.100 0.026 0.000 1.139 527 T CB -0.500 68.383 68.868 0.024 0.000 0.871 527 T HN -0.545 7.729 8.240 0.058 0.000 0.454 528 L N 0.661 121.877 121.223 -0.011 0.000 2.046 528 L HA -0.425 3.923 4.340 0.014 0.000 0.208 528 L C 1.860 178.584 176.870 -0.244 0.000 1.077 528 L CA 3.261 58.036 54.840 -0.109 0.000 0.747 528 L CB -0.557 41.361 42.059 -0.234 0.000 0.896 528 L HN -0.144 8.083 8.230 0.019 0.014 0.432 529 N N -1.780 116.842 118.700 -0.131 0.000 2.244 529 N HA -0.261 4.185 4.740 -0.491 0.000 0.183 529 N C 1.547 177.020 175.510 -0.061 0.000 1.016 529 N CA 2.712 55.708 53.050 -0.090 0.000 0.866 529 N CB 0.082 38.703 38.487 0.223 0.000 0.980 529 N HN -0.593 7.782 8.380 -0.008 0.000 0.430 530 E N -1.079 119.110 120.200 -0.019 0.000 2.028 530 E HA -0.295 4.080 4.350 0.041 0.000 0.190 530 E C 1.840 178.421 176.600 -0.031 0.000 0.984 530 E CA 3.085 59.488 56.400 0.006 0.000 0.800 530 E CB 0.492 30.202 29.700 0.016 0.000 0.758 530 E HN -0.580 7.659 8.360 -0.009 0.115 0.448 531 I N -0.288 120.256 120.570 -0.044 0.000 2.090 531 I HA -0.522 3.606 4.170 -0.070 0.000 0.236 531 I C 1.933 177.962 176.117 -0.146 0.000 1.064 531 I CA 4.231 65.487 61.300 -0.073 0.000 1.324 531 I CB -0.182 37.787 38.000 -0.051 0.000 1.044 531 I HN 0.190 8.385 8.210 -0.025 0.000 0.399 532 Y N -1.570 118.487 120.300 -0.405 0.000 2.059 532 Y HA -0.482 3.880 4.550 -0.315 0.000 0.244 532 Y C 1.507 177.190 175.900 -0.362 0.000 1.072 532 Y CA 3.693 61.470 58.100 -0.539 0.000 1.055 532 Y CB -0.194 37.589 38.460 -1.129 0.000 0.971 532 Y HN -0.399 7.941 8.280 0.100 0.000 0.487 533 F N -6.490 113.586 119.950 0.209 0.000 2.818 533 F HA 0.010 4.588 4.527 0.085 0.000 0.303 533 F C 0.238 176.080 175.800 0.070 0.000 1.250 533 F CA -0.556 57.510 58.000 0.109 0.000 1.409 533 F CB -2.547 36.512 39.000 0.098 0.000 1.183 533 F HN -0.022 7.182 8.300 -1.827 0.000 0.534 534 G N -0.519 108.328 108.800 0.079 0.000 2.607 534 G HA2 0.156 4.164 3.960 0.081 0.000 0.162 534 G HA3 0.156 4.421 3.960 0.032 -0.285 0.162 534 G C -0.147 174.759 174.900 0.011 0.000 1.583 534 G CA 1.047 46.178 45.100 0.051 0.000 0.779 534 G HN -0.222 7.864 8.290 0.007 0.208 0.747 535 K N 3.680 124.065 120.400 -0.026 0.000 1.969 535 K HA -0.263 4.042 4.320 -0.025 0.000 0.216 535 K C 2.467 179.036 176.600 -0.051 0.000 1.048 535 K CA 3.234 59.496 56.287 -0.040 0.000 0.948 535 K CB -0.532 31.931 32.500 -0.062 0.000 0.726 535 K HN -0.147 8.081 8.250 -0.036 0.000 0.442 536 T N -1.095 113.405 114.554 -0.091 0.000 2.602 536 T HA -0.530 3.757 4.350 -0.105 0.000 0.264 536 T C 1.712 176.386 174.700 -0.045 0.000 1.085 536 T CA 4.093 66.135 62.100 -0.098 0.000 1.164 536 T CB -0.648 68.126 68.868 -0.157 0.000 0.860 536 T HN -0.305 7.860 8.240 -0.125 0.000 0.442 537 K N 0.793 121.189 120.400 -0.007 0.000 2.020 537 K HA -0.501 3.830 4.320 0.019 0.000 0.212 537 K C 1.845 178.448 176.600 0.005 0.000 1.050 537 K CA 3.383 59.682 56.287 0.020 0.000 0.929 537 K CB -0.156 32.380 32.500 0.061 0.000 0.714 537 K HN -0.952 7.298 8.250 0.000 0.000 0.443 538 D N -0.977 119.424 120.400 0.002 0.000 2.133 538 D HA -0.258 4.384 4.640 0.002 0.000 0.195 538 D C 2.553 178.844 176.300 -0.015 0.000 0.997 538 D CA 2.971 56.969 54.000 -0.003 0.000 0.840 538 D CB -0.227 40.570 40.800 -0.004 0.000 0.947 538 D HN -0.356 7.955 8.370 0.005 0.062 0.452 539 I N -0.999 119.556 120.570 -0.025 0.000 2.286 539 I HA -0.396 3.756 4.170 -0.029 0.000 0.248 539 I C 2.312 178.412 176.117 -0.029 0.000 1.115 539 I CA 2.384 63.665 61.300 -0.032 0.000 1.392 539 I CB -1.089 36.884 38.000 -0.045 0.000 1.065 539 I HN 0.127 8.241 8.210 -0.029 0.078 0.418 540 V N 0.451 120.350 119.914 -0.025 0.000 2.358 540 V HA -0.529 3.576 4.120 -0.025 0.000 0.246 540 V C 1.921 178.006 176.094 -0.016 0.000 1.047 540 V CA 4.675 66.963 62.300 -0.020 0.000 1.035 540 V CB -1.010 30.805 31.823 -0.014 0.000 0.658 540 V HN 0.260 8.320 8.190 -0.024 0.116 0.452 541 N N -0.996 117.697 118.700 -0.011 0.000 2.453 541 N HA -0.159 4.575 4.740 -0.009 0.000 0.183 541 N C 1.798 177.298 175.510 -0.018 0.000 1.041 541 N CA 1.998 55.041 53.050 -0.011 0.000 0.900 541 N CB -0.151 38.333 38.487 -0.005 0.000 0.961 541 N HN -0.157 8.139 8.380 -0.009 0.079 0.443 542 G N -2.075 106.712 108.800 -0.021 0.000 2.494 542 G HA2 -0.058 3.884 3.960 -0.030 0.000 0.216 542 G HA3 -0.058 3.885 3.960 -0.028 0.000 0.216 542 G C -0.067 174.815 174.900 -0.030 0.000 1.140 542 G CA 0.482 45.565 45.100 -0.028 0.000 0.801 542 G HN -0.573 7.525 8.290 -0.021 0.179 0.536 543 L N -1.377 119.830 121.223 -0.027 0.000 2.005 543 L HA -0.190 4.133 4.340 -0.028 0.000 0.207 543 L C 0.772 177.627 176.870 -0.025 0.000 1.072 543 L CA 1.717 56.541 54.840 -0.026 0.000 0.744 543 L CB 0.358 42.402 42.059 -0.024 0.000 0.895 543 L HN -0.759 7.323 8.230 -0.025 0.133 0.433 544 R N -3.589 116.898 120.500 -0.021 0.000 2.831 544 R HA 0.250 4.577 4.340 -0.022 0.000 0.266 544 R C -2.557 173.732 176.300 -0.017 0.000 1.051 544 R CA -1.011 55.078 56.100 -0.019 0.000 0.943 544 R CB 3.431 33.722 30.300 -0.015 0.000 1.228 544 R HN -0.594 7.665 8.270 -0.020 0.000 0.467 545 S N -1.006 114.684 115.700 -0.016 0.000 2.548 545 S HA 0.315 4.778 4.470 -0.012 0.000 0.276 545 S C -0.403 174.191 174.600 -0.010 0.000 1.129 545 S CA -1.709 56.483 58.200 -0.014 0.000 0.931 545 S CB 1.740 64.930 63.200 -0.017 0.000 1.068 545 S HN 0.099 8.400 8.310 -0.016 0.000 0.480 546 I N 3.187 123.752 120.570 -0.007 0.000 2.252 546 I HA -0.109 4.058 4.170 -0.005 0.000 0.245 546 I C -0.280 175.834 176.117 -0.005 0.000 1.102 546 I CA 1.091 62.388 61.300 -0.005 0.000 1.385 546 I CB 0.506 38.505 38.000 -0.002 0.000 1.064 546 I HN 0.301 8.508 8.210 -0.006 0.000 0.414 547 D N 0.710 121.107 120.400 -0.005 0.000 2.304 547 D HA -0.059 4.578 4.640 -0.004 0.000 0.250 547 D C -0.567 175.729 176.300 -0.007 0.000 1.107 547 D CA -0.649 53.348 54.000 -0.005 0.000 0.885 547 D CB 1.021 41.818 40.800 -0.004 0.000 1.192 547 D HN -0.505 7.861 8.370 -0.006 0.000 0.436 548 A N 3.501 126.318 122.820 -0.006 0.000 2.561 548 A HA -0.143 4.172 4.320 -0.009 0.000 0.251 548 A C -0.424 177.154 177.584 -0.010 0.000 1.062 548 A CA 0.713 52.745 52.037 -0.008 0.000 0.761 548 A CB 0.392 19.389 19.000 -0.005 0.000 0.986 548 A HN 0.240 8.387 8.150 -0.005 0.000 0.510 549 I N 6.097 126.658 120.570 -0.015 0.000 2.421 549 I HA 0.015 4.174 4.170 -0.019 0.000 0.291 549 I C -1.483 174.623 176.117 -0.017 0.000 1.089 549 I CA -2.320 58.968 61.300 -0.021 0.000 1.354 549 I CB 0.435 38.415 38.000 -0.033 0.000 1.413 549 I HN -0.129 8.072 8.210 -0.016 0.000 0.513 550 P HA -0.184 4.236 4.420 -0.000 0.000 0.231 550 P C -1.431 175.868 177.300 -0.003 0.000 1.210 550 P CA 0.003 63.102 63.100 -0.003 0.000 1.332 550 P CB -1.369 30.332 31.700 0.003 0.000 1.594 551 D N 1.587 121.985 120.400 -0.004 0.000 2.777 551 D HA -0.363 4.269 4.640 -0.014 0.000 0.218 551 D C -0.704 175.606 176.300 0.016 0.000 1.153 551 D CA 1.016 55.015 54.000 -0.001 0.000 0.846 551 D CB 0.411 41.213 40.800 0.004 0.000 1.209 551 D HN -0.097 8.259 8.370 -0.005 0.011 0.517 552 N N 2.046 120.761 118.700 0.026 0.000 2.448 552 N HA 0.090 4.880 4.740 0.083 0.000 0.279 552 N C -0.077 175.498 175.510 0.108 0.000 1.025 552 N CA -0.324 52.777 53.050 0.085 0.000 0.898 552 N CB 2.310 40.874 38.487 0.127 0.000 1.303 552 N HN -0.020 8.364 8.380 0.007 0.000 0.495 553 Q N 4.009 123.863 119.800 0.089 0.000 2.354 553 Q HA -0.155 4.225 4.340 0.067 0.000 0.203 553 Q C 1.345 177.394 176.000 0.082 0.000 0.933 553 Q CA 2.160 58.006 55.803 0.072 0.000 0.901 553 Q CB 0.093 28.856 28.738 0.042 0.000 1.007 553 Q HN 0.683 8.998 8.270 0.076 0.000 0.495 554 K N 1.520 121.976 120.400 0.093 0.000 1.987 554 K HA -0.283 4.033 4.320 -0.006 0.000 0.216 554 K C 2.104 178.710 176.600 0.009 0.000 1.051 554 K CA 3.791 60.092 56.287 0.023 0.000 0.942 554 K CB -0.510 31.974 32.500 -0.026 0.000 0.722 554 K HN 0.227 8.517 8.250 0.111 0.027 0.444 555 Y N -3.154 117.146 120.300 -0.001 0.000 2.040 555 Y HA -0.482 4.067 4.550 -0.001 0.000 0.275 555 Y C 2.687 178.586 175.900 -0.002 0.000 1.171 555 Y CA 3.446 61.545 58.100 -0.001 0.000 1.123 555 Y CB -0.536 37.923 38.460 -0.002 0.000 0.963 555 Y HN -0.033 8.505 8.280 0.431 0.000 0.493 556 K N -2.543 117.963 120.400 0.176 0.000 2.032 556 K HA -0.366 4.006 4.320 0.087 0.000 0.209 556 K C 2.839 179.469 176.600 0.051 0.000 1.048 556 K CA 2.774 59.116 56.287 0.091 0.000 0.927 556 K CB -0.847 31.693 32.500 0.068 0.000 0.712 556 K HN -0.249 8.129 8.250 0.214 0.000 0.441 557 Q N -1.262 118.561 119.800 0.039 0.000 2.224 557 Q HA -0.306 4.043 4.340 0.014 0.000 0.203 557 Q C 2.569 178.567 176.000 -0.003 0.000 0.970 557 Q CA 3.124 58.935 55.803 0.014 0.000 0.865 557 Q CB 0.079 28.821 28.738 0.008 0.000 0.922 557 Q HN 0.451 8.571 8.270 0.053 0.182 0.445 558 L N -0.204 121.009 121.223 -0.016 0.000 2.179 558 L HA -0.191 4.125 4.340 -0.040 0.000 0.208 558 L C 1.149 178.009 176.870 -0.016 0.000 1.096 558 L CA 2.281 57.097 54.840 -0.040 0.000 0.779 558 L CB -0.107 41.890 42.059 -0.104 0.000 0.922 558 L HN 0.617 8.607 8.230 -0.008 0.235 0.443 559 Q N -0.577 119.229 119.800 0.010 0.000 2.123 559 Q HA -0.356 3.992 4.340 0.014 0.000 0.199 559 Q C 2.163 178.170 176.000 0.012 0.000 0.966 559 Q CA 3.403 59.218 55.803 0.019 0.000 0.845 559 Q CB -0.156 28.606 28.738 0.041 0.000 0.907 559 Q HN 0.227 8.410 8.270 0.024 0.102 0.439 560 R N -0.373 120.134 120.500 0.011 0.000 2.091 560 R HA -0.394 3.951 4.340 0.009 0.000 0.238 560 R C 2.175 178.476 176.300 0.002 0.000 1.136 560 R CA 3.621 59.725 56.100 0.007 0.000 0.959 560 R CB -0.228 30.076 30.300 0.007 0.000 0.856 560 R HN -0.346 7.933 8.270 0.014 0.000 0.437 561 E N -1.317 118.882 120.200 -0.002 0.000 2.006 561 E HA -0.307 4.041 4.350 -0.004 0.000 0.192 561 E C 2.558 179.155 176.600 -0.005 0.000 0.993 561 E CA 2.516 58.913 56.400 -0.006 0.000 0.808 561 E CB -0.435 29.259 29.700 -0.011 0.000 0.764 561 E HN -0.807 7.543 8.360 -0.004 0.008 0.449 562 L N -0.867 120.353 121.223 -0.006 0.000 2.051 562 L HA -0.372 3.964 4.340 -0.007 0.000 0.214 562 L C 2.108 178.977 176.870 -0.001 0.000 1.076 562 L CA 2.709 57.546 54.840 -0.005 0.000 0.758 562 L CB -0.209 41.847 42.059 -0.005 0.000 0.890 562 L HN -0.658 7.566 8.230 -0.009 0.000 0.433 563 S N -1.127 114.574 115.700 0.002 0.000 2.380 563 S HA -0.359 4.113 4.470 0.004 0.000 0.213 563 S C 2.218 176.819 174.600 0.001 0.000 1.037 563 S CA 3.304 61.506 58.200 0.003 0.000 1.034 563 S CB -0.729 62.474 63.200 0.006 0.000 1.022 563 S HN 0.039 8.341 8.310 0.003 0.010 0.418 564 Q N -0.249 119.551 119.800 0.001 0.000 2.480 564 Q HA -0.311 4.029 4.340 0.001 0.000 0.217 564 Q C 2.321 178.320 176.000 -0.001 0.000 0.993 564 Q CA 2.431 58.234 55.803 0.000 0.000 0.908 564 Q CB -0.672 28.066 28.738 -0.000 0.000 0.927 564 Q HN -0.356 7.915 8.270 0.002 0.000 0.471 565 V N -1.298 118.616 119.914 -0.001 0.000 2.379 565 V HA -0.345 3.773 4.120 -0.002 0.000 0.245 565 V C 0.966 177.060 176.094 -0.001 0.000 1.044 565 V CA 3.297 65.595 62.300 -0.002 0.000 1.036 565 V CB -0.299 31.522 31.823 -0.003 0.000 0.664 565 V HN -0.850 7.099 8.190 -0.001 0.240 0.453 566 L N -4.049 117.174 121.223 -0.001 0.000 2.162 566 L HA -0.029 4.311 4.340 -0.001 0.000 0.205 566 L C 2.459 179.329 176.870 -0.000 0.000 1.086 566 L CA 2.711 57.551 54.840 -0.000 0.000 0.778 566 L CB 0.554 42.613 42.059 0.000 0.000 0.928 566 L HN 0.291 8.420 8.230 -0.000 0.101 0.446 567 T N -2.916 111.638 114.554 0.000 0.000 3.035 567 T HA -0.247 4.103 4.350 0.000 0.000 0.268 567 T C 1.186 175.886 174.700 -0.000 0.000 1.109 567 T CA 2.851 64.951 62.100 0.000 0.000 1.119 567 T CB 0.045 68.913 68.868 0.001 0.000 0.900 567 T HN -0.378 7.862 8.240 0.000 0.000 0.503 568 Q N -1.990 117.810 119.800 -0.000 0.000 2.171 568 Q HA 0.130 4.470 4.340 -0.001 0.000 0.218 568 Q C -1.243 174.756 176.000 -0.001 0.000 0.822 568 Q CA -0.173 55.630 55.803 -0.001 0.000 0.987 568 Q CB 1.258 29.995 28.738 -0.001 0.000 1.144 568 Q HN -0.336 7.787 8.270 -0.001 0.147 0.494 569 R N -1.832 118.667 120.500 -0.001 0.000 4.160 569 R HA 0.240 4.579 4.340 -0.001 0.000 0.235 569 R C -2.332 173.968 176.300 -0.001 0.000 0.948 569 R CA -1.526 54.573 56.100 -0.001 0.000 0.737 569 R CB 1.749 32.048 30.300 -0.002 0.000 1.765 569 R HN -0.758 7.315 8.270 -0.001 0.196 0.375 570 Q N -1.617 118.183 119.800 -0.001 0.000 3.562 570 Q HA -0.000 4.339 4.340 -0.001 0.000 0.125 570 Q C -1.956 174.043 176.000 -0.001 0.000 0.969 570 Q CA 0.208 56.011 55.803 -0.001 0.000 1.269 570 Q CB 0.948 29.686 28.738 -0.001 0.000 1.519 570 Q HN -0.064 8.205 8.270 -0.002 0.000 0.593 571 I N 0.000 120.569 120.570 -0.001 0.000 2.984 571 I HA 0.000 4.169 4.170 -0.001 0.000 0.288 571 I CA 0.000 61.299 61.300 -0.001 0.000 1.566 571 I CB 0.000 37.999 38.000 -0.001 0.000 1.214 571 I HN 0.000 8.209 8.210 -0.001 0.000 0.494