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 2kz7_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 4.469 4.470 -0.001 0.000 0.327 302 S C 0.000 174.601 174.600 0.001 0.000 1.055 302 S CA 0.000 58.200 58.200 -0.000 0.000 1.107 302 S CB 0.000 63.199 63.200 -0.001 0.000 0.593 303 D N 1.912 122.313 120.400 0.002 0.000 2.249 303 D HA -0.121 4.522 4.640 0.004 0.000 0.205 303 D C 1.280 177.582 176.300 0.003 0.000 0.962 303 D CA 2.204 56.206 54.000 0.004 0.000 0.860 303 D CB -0.033 40.769 40.800 0.004 0.000 0.955 303 D HN 0.392 8.763 8.370 0.001 0.000 0.505 304 Q N -1.498 118.304 119.800 0.002 0.000 2.230 304 Q HA -0.255 4.086 4.340 0.002 0.000 0.202 304 Q C 1.766 177.767 176.000 0.001 0.000 0.963 304 Q CA 2.691 58.495 55.803 0.001 0.000 0.866 304 Q CB -0.734 28.005 28.738 0.001 0.000 0.931 304 Q HN 0.291 8.541 8.270 0.001 0.021 0.452 305 Q N -0.444 119.356 119.800 0.001 0.000 2.046 305 Q HA -0.258 4.082 4.340 -0.000 0.000 0.200 305 Q C 2.459 178.460 176.000 0.001 0.000 0.975 305 Q CA 2.991 58.794 55.803 0.000 0.000 0.836 305 Q CB -0.429 28.308 28.738 -0.001 0.000 0.896 305 Q HN 0.216 8.410 8.270 0.001 0.076 0.428 306 L N 0.128 121.352 121.223 0.002 0.000 2.012 306 L HA -0.394 3.948 4.340 0.003 0.000 0.210 306 L C 1.492 178.365 176.870 0.005 0.000 1.073 306 L CA 3.361 58.204 54.840 0.004 0.000 0.748 306 L CB -0.385 41.678 42.059 0.007 0.000 0.891 306 L HN -0.277 7.954 8.230 0.002 0.000 0.431 307 D N -0.598 119.805 120.400 0.005 0.000 2.104 307 D HA -0.281 4.363 4.640 0.006 0.000 0.194 307 D C 2.490 178.792 176.300 0.003 0.000 0.994 307 D CA 3.640 57.643 54.000 0.005 0.000 0.830 307 D CB -0.789 40.014 40.800 0.004 0.000 0.959 307 D HN -0.043 8.330 8.370 0.005 0.000 0.452 308 C N -0.266 119.035 119.300 0.001 0.000 2.435 308 C HA -0.290 4.170 4.460 -0.000 0.000 0.279 308 C C 1.767 176.757 174.990 0.000 0.000 1.321 308 C CA 4.546 63.565 59.018 0.000 0.000 1.752 308 C CB -0.601 27.139 27.740 -0.001 0.000 1.959 308 C HN 0.316 8.349 8.230 0.001 0.198 0.500 309 A N 0.572 123.393 122.820 0.001 0.000 1.898 309 A HA -0.213 4.108 4.320 0.001 0.000 0.216 309 A C 1.864 179.450 177.584 0.003 0.000 1.181 309 A CA 3.216 55.254 52.037 0.002 0.000 0.620 309 A CB -0.898 18.103 19.000 0.001 0.000 0.819 309 A HN 0.533 8.460 8.150 0.002 0.223 0.442 310 L N -2.686 118.539 121.223 0.004 0.000 2.093 310 L HA -0.451 3.893 4.340 0.007 0.000 0.208 310 L C 2.084 178.956 176.870 0.003 0.000 1.085 310 L CA 2.799 57.643 54.840 0.006 0.000 0.755 310 L CB -0.437 41.627 42.059 0.008 0.000 0.904 310 L HN 0.180 8.413 8.230 0.005 0.000 0.435 311 D N -0.684 119.716 120.400 0.001 0.000 2.117 311 D HA -0.267 4.371 4.640 -0.004 0.000 0.197 311 D C 2.695 178.993 176.300 -0.003 0.000 0.987 311 D CA 3.303 57.302 54.000 -0.002 0.000 0.829 311 D CB 0.284 41.083 40.800 -0.003 0.000 0.961 311 D HN -0.407 7.964 8.370 0.001 0.000 0.460 312 L N 0.085 121.307 121.223 -0.001 0.000 2.012 312 L HA -0.283 4.056 4.340 -0.002 0.000 0.210 312 L C 1.331 178.202 176.870 0.002 0.000 1.073 312 L CA 3.037 57.876 54.840 -0.001 0.000 0.748 312 L CB 0.091 42.150 42.059 0.000 0.000 0.891 312 L HN -0.310 7.920 8.230 -0.000 0.000 0.431 313 M N -4.866 114.737 119.600 0.004 0.000 2.460 313 M HA -0.258 4.230 4.480 0.013 0.000 0.263 313 M C 1.242 177.546 176.300 0.007 0.000 1.071 313 M CA 1.083 56.389 55.300 0.010 0.000 1.096 313 M CB -1.162 31.446 32.600 0.013 0.000 1.408 313 M HN -0.554 7.738 8.290 0.004 0.000 0.463 314 R N -3.517 116.983 120.500 -0.001 0.000 2.313 314 R HA -0.113 4.220 4.340 -0.012 0.000 0.199 314 R C 1.071 177.362 176.300 -0.014 0.000 0.958 314 R CA 0.596 56.690 56.100 -0.010 0.000 1.047 314 R CB -0.118 30.174 30.300 -0.013 0.000 0.955 314 R HN -0.631 7.471 8.270 -0.001 0.168 0.481 315 R N -3.885 116.610 120.500 -0.008 0.000 2.383 315 R HA 0.096 4.426 4.340 -0.018 0.000 0.205 315 R C 0.407 176.704 176.300 -0.005 0.000 0.875 315 R CA 0.353 56.446 56.100 -0.011 0.000 1.039 315 R CB 1.703 31.997 30.300 -0.010 0.000 1.267 315 R HN -0.286 7.776 8.270 -0.003 0.206 0.635 316 L N 2.213 123.437 121.223 0.003 0.000 2.467 316 L HA -0.001 4.342 4.340 0.004 0.000 0.270 316 L C -2.077 174.804 176.870 0.018 0.000 1.205 316 L CA -1.526 53.319 54.840 0.008 0.000 0.828 316 L CB -0.384 41.681 42.059 0.010 0.000 1.101 316 L HN -0.464 7.768 8.230 0.003 0.000 0.479 317 P HA 0.148 4.588 4.420 0.033 0.000 0.256 317 P C -0.841 176.504 177.300 0.076 0.000 1.173 317 P CA -0.852 62.271 63.100 0.040 0.000 0.768 317 P CB -0.179 31.541 31.700 0.033 0.000 0.758 318 P HA -0.222 4.302 4.420 0.174 0.000 0.222 318 P C 1.184 178.662 177.300 0.296 0.000 1.147 318 P CA 2.284 65.520 63.100 0.227 0.000 0.790 318 P CB 0.242 32.082 31.700 0.233 0.000 0.780 319 Q N -2.814 117.122 119.800 0.226 0.000 2.234 319 Q HA -0.206 4.148 4.340 0.024 0.000 0.206 319 Q C 0.925 176.908 176.000 -0.029 0.000 0.980 319 Q CA 2.438 58.293 55.803 0.087 0.000 0.869 319 Q CB -1.195 27.592 28.738 0.081 0.000 0.912 319 Q HN 0.397 8.741 8.270 0.195 0.043 0.436 320 Q N -2.819 116.986 119.800 0.008 0.000 2.206 320 Q HA 0.250 4.560 4.340 -0.048 0.000 0.265 320 Q C 0.154 176.149 176.000 -0.009 0.000 0.866 320 Q CA -1.532 54.260 55.803 -0.018 0.000 1.073 320 Q CB -0.479 28.255 28.738 -0.007 0.000 1.165 320 Q HN -0.424 7.732 8.270 0.045 0.141 0.465 321 I N 0.985 121.559 120.570 0.006 0.000 2.151 321 I HA -0.689 3.499 4.170 0.029 0.000 0.243 321 I C 1.373 177.485 176.117 -0.008 0.000 1.080 321 I CA 5.436 66.749 61.300 0.020 0.000 1.339 321 I CB 0.029 38.066 38.000 0.062 0.000 1.039 321 I HN -0.529 7.622 8.210 0.010 0.065 0.409 322 E N -1.272 118.906 120.200 -0.036 0.000 2.023 322 E HA -0.451 3.881 4.350 -0.031 0.000 0.196 322 E C 2.493 179.076 176.600 -0.029 0.000 1.003 322 E CA 3.590 59.967 56.400 -0.039 0.000 0.809 322 E CB -0.324 29.338 29.700 -0.063 0.000 0.755 322 E HN 0.461 8.785 8.360 -0.059 0.000 0.449 323 K N -2.089 118.293 120.400 -0.030 0.000 2.026 323 K HA -0.303 4.004 4.320 -0.022 0.000 0.208 323 K C 2.212 178.804 176.600 -0.014 0.000 1.048 323 K CA 3.283 59.557 56.287 -0.022 0.000 0.929 323 K CB -0.326 32.161 32.500 -0.022 0.000 0.713 323 K HN 0.033 8.260 8.250 -0.038 0.000 0.439 324 N N -0.157 118.537 118.700 -0.010 0.000 2.166 324 N HA -0.229 4.508 4.740 -0.005 0.000 0.186 324 N C 2.363 177.870 175.510 -0.004 0.000 1.019 324 N CA 2.683 55.731 53.050 -0.005 0.000 0.856 324 N CB -0.196 38.292 38.487 0.002 0.000 0.993 324 N HN -0.103 8.270 8.380 -0.011 0.000 0.426 325 L N 0.976 122.196 121.223 -0.005 0.000 2.056 325 L HA -0.204 4.135 4.340 -0.003 0.000 0.207 325 L C 1.434 178.298 176.870 -0.009 0.000 1.078 325 L CA 2.942 57.779 54.840 -0.005 0.000 0.749 325 L CB -0.451 41.605 42.059 -0.005 0.000 0.901 325 L HN 0.357 8.584 8.230 -0.006 0.000 0.433 326 S N -0.512 115.181 115.700 -0.011 0.000 2.356 326 S HA -0.367 4.095 4.470 -0.013 0.000 0.223 326 S C 2.127 176.720 174.600 -0.011 0.000 1.032 326 S CA 3.983 62.176 58.200 -0.012 0.000 1.005 326 S CB -0.515 62.677 63.200 -0.014 0.000 0.867 326 S HN -0.472 7.831 8.310 -0.012 0.000 0.449 327 D N 1.841 122.235 120.400 -0.010 0.000 2.144 327 D HA -0.236 4.399 4.640 -0.009 0.000 0.199 327 D C 2.393 178.689 176.300 -0.008 0.000 0.984 327 D CA 3.193 57.188 54.000 -0.008 0.000 0.834 327 D CB -0.356 40.440 40.800 -0.007 0.000 0.955 327 D HN -0.366 7.998 8.370 -0.010 0.000 0.465 328 L N 0.106 121.325 121.223 -0.007 0.000 2.079 328 L HA -0.280 4.057 4.340 -0.005 0.000 0.210 328 L C 1.680 178.546 176.870 -0.007 0.000 1.081 328 L CA 3.121 57.958 54.840 -0.006 0.000 0.752 328 L CB -0.149 41.907 42.059 -0.004 0.000 0.896 328 L HN 0.056 8.090 8.230 -0.006 0.192 0.433 329 I N -1.426 119.138 120.570 -0.009 0.000 2.353 329 I HA -0.550 3.613 4.170 -0.011 0.000 0.248 329 I C 1.734 177.844 176.117 -0.011 0.000 1.119 329 I CA 3.709 65.002 61.300 -0.011 0.000 1.417 329 I CB -0.407 37.585 38.000 -0.014 0.000 1.078 329 I HN -0.122 7.978 8.210 -0.010 0.104 0.421 330 D N -0.367 120.027 120.400 -0.011 0.000 2.123 330 D HA -0.285 4.349 4.640 -0.011 0.000 0.196 330 D C 1.897 178.192 176.300 -0.009 0.000 0.992 330 D CA 3.277 57.271 54.000 -0.010 0.000 0.833 330 D CB -0.095 40.700 40.800 -0.009 0.000 0.954 330 D HN -0.538 7.740 8.370 -0.010 0.086 0.455 331 L N -1.840 119.378 121.223 -0.008 0.000 2.093 331 L HA -0.143 4.193 4.340 -0.007 0.000 0.208 331 L C 0.132 176.998 176.870 -0.007 0.000 1.085 331 L CA 2.550 57.386 54.840 -0.007 0.000 0.755 331 L CB 1.046 43.101 42.059 -0.006 0.000 0.904 331 L HN -0.420 7.799 8.230 -0.008 0.006 0.435 332 V N -3.167 116.742 119.914 -0.008 0.000 2.464 332 V HA 0.355 4.470 4.120 -0.008 0.000 0.255 332 V C -1.768 174.320 176.094 -0.010 0.000 0.946 332 V CA -3.009 59.286 62.300 -0.008 0.000 0.988 332 V CB 0.283 32.102 31.823 -0.006 0.000 1.210 332 V HN -0.489 7.601 8.190 -0.008 0.095 0.523 333 P HA -0.067 4.404 4.420 -0.015 -0.060 0.219 333 P C 1.065 178.356 177.300 -0.015 0.000 1.144 333 P CA 2.167 65.258 63.100 -0.014 0.000 0.806 333 P CB 0.185 31.877 31.700 -0.014 0.000 0.771 334 S N -1.270 114.422 115.700 -0.013 0.000 2.489 334 S HA -0.101 4.360 4.470 -0.015 0.000 0.228 334 S C 0.867 175.460 174.600 -0.012 0.000 0.995 334 S CA 2.196 60.388 58.200 -0.013 0.000 0.934 334 S CB -0.419 62.775 63.200 -0.010 0.000 0.771 334 S HN -0.040 8.215 8.310 -0.011 0.049 0.522 335 L N -0.264 120.952 121.223 -0.011 0.000 2.592 335 L HA 0.281 4.616 4.340 -0.009 0.000 0.227 335 L C 0.845 177.707 176.870 -0.013 0.000 1.127 335 L CA -0.338 54.496 54.840 -0.010 0.000 0.884 335 L CB 0.014 42.069 42.059 -0.007 0.000 1.065 335 L HN -0.060 8.012 8.230 -0.011 0.152 0.457 336 C N 1.146 120.435 119.300 -0.018 0.000 2.376 336 C HA -0.559 3.889 4.460 -0.021 0.000 0.275 336 C C 1.339 176.312 174.990 -0.028 0.000 1.200 336 C CA 5.195 64.199 59.018 -0.023 0.000 1.756 336 C CB -0.707 27.017 27.740 -0.027 0.000 2.050 336 C HN -0.555 7.487 8.230 -0.017 0.177 0.460 337 E N -1.610 118.572 120.200 -0.030 0.000 2.072 337 E HA -0.258 4.064 4.350 -0.047 0.000 0.191 337 E C 1.881 178.466 176.600 -0.024 0.000 0.985 337 E CA 3.220 59.599 56.400 -0.035 0.000 0.801 337 E CB -0.730 28.949 29.700 -0.036 0.000 0.750 337 E HN 0.390 8.734 8.360 -0.027 0.000 0.452 338 D N -0.807 119.585 120.400 -0.013 0.000 2.178 338 D HA -0.197 4.447 4.640 0.007 0.000 0.201 338 D C 2.618 178.919 176.300 0.001 0.000 0.980 338 D CA 3.057 57.057 54.000 -0.000 0.000 0.842 338 D CB -0.366 40.436 40.800 0.003 0.000 0.948 338 D HN 0.042 8.404 8.370 -0.014 0.000 0.472 339 L N 0.061 121.280 121.223 -0.008 0.000 2.131 339 L HA -0.097 4.244 4.340 0.000 0.000 0.206 339 L C 2.274 179.133 176.870 -0.018 0.000 1.087 339 L CA 2.446 57.281 54.840 -0.008 0.000 0.767 339 L CB 0.153 42.206 42.059 -0.009 0.000 0.917 339 L HN 0.224 8.429 8.230 -0.012 0.018 0.441 340 L N -3.596 117.608 121.223 -0.033 0.000 2.191 340 L HA -0.331 3.979 4.340 -0.049 0.000 0.212 340 L C 1.189 178.006 176.870 -0.088 0.000 1.103 340 L CA 2.906 57.712 54.840 -0.056 0.000 0.769 340 L CB -0.284 41.736 42.059 -0.066 0.000 0.908 340 L HN -0.095 8.116 8.230 -0.031 0.000 0.438 341 S N -3.411 112.257 115.700 -0.053 0.000 2.470 341 S HA -0.097 4.302 4.470 -0.173 -0.032 0.222 341 S C 1.496 176.123 174.600 0.046 0.000 1.024 341 S CA 2.384 60.565 58.200 -0.032 0.000 0.931 341 S CB 0.810 64.050 63.200 0.067 0.000 0.791 341 S HN -0.598 7.569 8.310 -0.028 0.127 0.513 342 S N 2.145 117.867 115.700 0.036 0.000 2.503 342 S HA 0.100 4.624 4.470 0.090 0.000 0.215 342 S C 0.306 174.926 174.600 0.034 0.000 1.003 342 S CA 1.305 59.538 58.200 0.054 0.000 0.910 342 S CB 0.871 64.098 63.200 0.046 0.000 0.790 342 S HN -0.438 7.786 8.310 0.016 0.095 0.514 343 V N 4.723 124.644 119.914 0.012 0.000 2.348 343 V HA -0.055 4.076 4.120 0.019 0.000 0.270 343 V C -1.233 174.865 176.094 0.008 0.000 1.037 343 V CA 0.032 62.339 62.300 0.011 0.000 0.872 343 V CB 0.306 32.133 31.823 0.006 0.000 1.002 343 V HN -0.320 7.870 8.190 -0.000 0.000 0.464 344 D N 7.664 128.077 120.400 0.023 0.000 2.425 344 D HA -0.035 4.613 4.640 0.012 0.000 0.247 344 D C -0.490 175.842 176.300 0.054 0.000 1.147 344 D CA 0.789 54.807 54.000 0.030 0.000 0.879 344 D CB 0.701 41.520 40.800 0.033 0.000 1.179 344 D HN 0.171 8.557 8.370 0.026 0.000 0.456 345 Q N 0.254 120.082 119.800 0.047 0.000 2.413 345 Q HA 0.357 4.761 4.340 0.107 0.000 0.276 345 Q C -2.734 173.312 176.000 0.077 0.000 1.099 345 Q CA -3.250 52.589 55.803 0.061 0.000 0.814 345 Q CB 0.464 29.206 28.738 0.007 0.000 1.379 345 Q HN -0.155 8.128 8.270 0.022 0.000 0.436 346 P HA -0.235 4.481 4.420 0.213 -0.168 0.263 346 P C -0.373 176.924 177.300 -0.006 0.000 1.168 346 P CA 0.299 63.411 63.100 0.020 0.000 0.759 346 P CB 0.298 31.832 31.700 -0.277 0.000 0.782 347 L N 3.985 125.230 121.223 0.037 0.000 2.367 347 L HA -0.014 4.313 4.340 -0.022 0.000 0.275 347 L C 0.302 177.139 176.870 -0.055 0.000 1.129 347 L CA -0.113 54.727 54.840 -0.000 0.000 0.839 347 L CB 0.171 42.257 42.059 0.045 0.000 1.133 347 L HN -0.226 8.353 8.230 0.109 -0.284 0.453 348 K N 3.525 123.860 120.400 -0.109 0.000 2.138 348 K HA 0.276 4.522 4.320 -0.124 0.000 0.263 348 K C -1.534 174.956 176.600 -0.183 0.000 0.965 348 K CA -1.771 54.425 56.287 -0.153 0.000 0.868 348 K CB 1.672 34.050 32.500 -0.203 0.000 1.083 348 K HN 0.255 8.433 8.250 -0.121 0.000 0.443 349 I N 2.105 122.574 120.570 -0.168 0.000 2.437 349 I HA 0.489 4.687 4.170 -0.203 -0.149 0.298 349 I C -0.341 175.604 176.117 -0.287 0.000 0.984 349 I CA -1.006 60.180 61.300 -0.191 0.000 1.214 349 I CB 2.357 40.300 38.000 -0.096 0.000 1.365 349 I HN 0.352 8.479 8.210 -0.137 0.000 0.469 350 A N 5.715 128.247 122.820 -0.480 0.000 2.454 350 A HA 0.487 4.619 4.320 -0.313 0.000 0.302 350 A C -2.659 174.688 177.584 -0.396 0.000 1.079 350 A CA -1.546 50.155 52.037 -0.559 0.000 0.731 350 A CB 3.560 21.973 19.000 -0.979 0.000 1.299 350 A HN 0.769 8.593 8.150 -0.543 0.000 0.413 351 R N 0.734 121.188 120.500 -0.077 0.000 2.294 351 R HA 0.168 4.614 4.340 0.177 0.000 0.319 351 R C -0.959 175.549 176.300 0.347 0.000 0.984 351 R CA -1.756 54.427 56.100 0.137 0.000 0.861 351 R CB 1.350 31.701 30.300 0.085 0.000 1.104 351 R HN 0.249 8.481 8.270 -0.064 0.000 0.451 352 D N 6.751 127.437 120.400 0.477 0.000 2.339 352 D HA 0.105 4.980 4.640 0.391 0.000 0.241 352 D C -0.098 176.338 176.300 0.227 0.000 1.183 352 D CA -0.833 53.401 54.000 0.391 0.000 0.859 352 D CB 1.601 42.651 40.800 0.416 0.000 1.067 352 D HN 0.427 8.983 8.370 0.494 0.111 0.484 353 K N 5.899 126.401 120.400 0.169 0.000 2.057 353 K HA -0.234 4.147 4.320 0.102 0.000 0.206 353 K C 1.422 178.075 176.600 0.088 0.000 1.050 353 K CA 2.060 58.414 56.287 0.111 0.000 0.935 353 K CB -0.483 32.073 32.500 0.093 0.000 0.715 353 K HN 0.274 8.631 8.250 0.179 0.000 0.439 354 V N -5.293 114.674 119.914 0.089 0.000 2.490 354 V HA -0.194 3.959 4.120 0.056 0.000 0.250 354 V C 1.256 177.387 176.094 0.062 0.000 1.061 354 V CA 2.532 64.873 62.300 0.068 0.000 1.064 354 V CB -0.007 31.854 31.823 0.064 0.000 0.670 354 V HN -0.505 7.817 8.190 0.100 -0.072 0.461 355 V N -0.905 119.057 119.914 0.081 0.000 3.661 355 V HA 0.123 4.259 4.120 0.028 0.000 0.271 355 V C 0.219 176.323 176.094 0.017 0.000 1.315 355 V CA 0.069 62.399 62.300 0.049 0.000 1.072 355 V CB 0.813 32.682 31.823 0.077 0.000 0.830 355 V HN -0.628 7.826 8.190 0.114 -0.196 0.443 356 G N 0.535 109.367 108.800 0.053 0.000 2.246 356 G HA2 -0.422 3.596 3.960 0.059 0.000 0.273 356 G HA3 -0.422 3.545 3.960 0.013 0.000 0.273 356 G C -1.337 173.572 174.900 0.015 0.000 1.055 356 G CA 0.530 45.651 45.100 0.036 0.000 0.851 356 G HN -0.289 7.945 8.290 0.086 0.108 0.500 357 K N -1.183 119.255 120.400 0.064 0.000 2.464 357 K HA 0.303 4.622 4.320 -0.002 0.000 0.253 357 K C -1.641 175.148 176.600 0.314 0.000 0.933 357 K CA -1.678 54.628 56.287 0.033 0.000 0.801 357 K CB 3.448 35.727 32.500 -0.368 0.000 1.271 357 K HN -0.627 7.709 8.250 0.144 0.000 0.430 358 D N 1.706 122.278 120.400 0.285 0.000 2.344 358 D HA 0.812 5.817 4.640 0.284 -0.195 0.244 358 D C 0.317 177.002 176.300 0.641 0.000 1.134 358 D CA 0.030 54.231 54.000 0.335 0.000 0.930 358 D CB 1.577 42.470 40.800 0.154 0.000 1.175 358 D HN 0.223 8.689 8.370 0.159 0.000 0.437 359 Y N -4.654 115.816 120.300 0.283 0.000 2.597 359 Y HA 0.585 5.287 4.550 0.253 0.000 0.340 359 Y C -2.588 173.367 175.900 0.091 0.000 1.097 359 Y CA -2.046 56.163 58.100 0.183 0.000 1.037 359 Y CB 2.735 41.180 38.460 -0.025 0.000 1.305 359 Y HN 0.695 8.977 8.280 0.002 0.000 0.463 360 L N -0.686 120.637 121.223 0.167 0.000 2.334 360 L HA 0.689 5.151 4.340 -0.096 -0.179 0.275 360 L C -0.230 176.680 176.870 0.066 0.000 1.036 360 L CA -1.585 53.283 54.840 0.047 0.000 0.807 360 L CB 2.087 44.202 42.059 0.094 0.000 1.231 360 L HN 0.215 8.601 8.230 0.260 0.000 0.438 361 L N -0.385 120.748 121.223 -0.151 0.000 2.322 361 L HA 0.342 4.547 4.340 -0.225 0.000 0.279 361 L C -0.586 176.199 176.870 -0.142 0.000 1.036 361 L CA -0.747 53.908 54.840 -0.308 0.000 0.807 361 L CB 0.942 42.519 42.059 -0.804 0.000 1.226 361 L HN 0.278 8.396 8.230 -0.186 0.000 0.433 362 C N 0.445 119.718 119.300 -0.044 0.000 3.320 362 C HA 0.320 4.738 4.460 -0.069 0.000 0.335 362 C C -0.507 174.451 174.990 -0.054 0.000 1.430 362 C CA -2.002 56.984 59.018 -0.053 0.000 1.271 362 C CB 3.130 30.840 27.740 -0.051 0.000 1.609 362 C HN 0.488 9.003 8.230 0.007 -0.281 0.457 363 D N 0.791 121.001 120.400 -0.316 0.000 2.218 363 D HA -0.183 4.355 4.640 -0.170 0.000 0.204 363 D C 1.295 177.385 176.300 -0.350 0.000 0.976 363 D CA 2.998 56.783 54.000 -0.359 0.000 0.853 363 D CB 0.003 40.503 40.800 -0.499 0.000 0.939 363 D HN 0.743 8.857 8.370 -0.427 0.000 0.481 364 Y N -5.054 115.177 120.300 -0.116 0.000 2.561 364 Y HA -0.159 4.148 4.550 -0.405 0.000 0.291 364 Y C 0.297 176.045 175.900 -0.254 0.000 1.141 364 Y CA 0.116 58.069 58.100 -0.245 0.000 1.303 364 Y CB -0.723 37.663 38.460 -0.124 0.000 1.015 364 Y HN -0.778 7.031 8.280 -0.726 0.035 0.547 365 N N -4.744 113.816 118.700 -0.232 0.000 2.235 365 N HA 0.037 4.584 4.740 -0.321 0.000 0.231 365 N C -1.645 173.775 175.510 -0.150 0.000 1.177 365 N CA -1.163 51.628 53.050 -0.432 0.000 0.874 365 N CB 0.902 38.588 38.487 -1.334 0.000 1.097 365 N HN -0.643 7.592 8.380 -0.179 0.038 0.518 366 R N 1.392 121.815 120.500 -0.129 0.000 2.474 366 R HA 0.509 4.796 4.340 -0.395 -0.184 0.295 366 R C -1.103 175.102 176.300 -0.157 0.000 0.980 366 R CA -0.135 55.784 56.100 -0.300 0.000 0.934 366 R CB 1.768 31.751 30.300 -0.529 0.000 1.101 366 R HN -0.831 7.180 8.270 -0.138 0.176 0.469 367 D N 5.371 125.673 120.400 -0.164 0.000 2.476 367 D HA 0.225 4.758 4.640 -0.177 0.000 0.251 367 D C -0.213 175.923 176.300 -0.273 0.000 1.291 367 D CA -0.563 53.308 54.000 -0.215 0.000 0.939 367 D CB 2.592 43.178 40.800 -0.356 0.000 1.221 367 D HN 0.372 8.619 8.370 -0.205 0.000 0.567 368 G N 5.896 114.563 108.800 -0.223 0.000 2.565 368 G HA2 -0.532 3.335 3.960 -0.156 0.000 0.295 368 G HA3 -0.532 3.318 3.960 -0.183 0.000 0.295 368 G C -0.696 174.076 174.900 -0.214 0.000 1.165 368 G CA 1.684 46.670 45.100 -0.191 0.000 0.977 368 G HN 0.430 8.603 8.290 -0.196 0.000 0.546 369 D N 4.563 124.858 120.400 -0.175 0.000 2.363 369 D HA 0.148 4.692 4.640 -0.159 0.000 0.214 369 D C -0.579 175.640 176.300 -0.135 0.000 1.093 369 D CA -0.242 53.673 54.000 -0.141 0.000 0.837 369 D CB 0.728 41.488 40.800 -0.067 0.000 0.948 369 D HN 0.235 8.512 8.370 -0.154 0.000 0.507 370 S N -0.147 115.442 115.700 -0.186 0.000 2.648 370 S HA 0.263 4.891 4.470 0.104 -0.095 0.305 370 S C -1.906 172.653 174.600 -0.069 0.000 1.094 370 S CA -0.311 57.881 58.200 -0.013 0.000 0.983 370 S CB 2.692 65.945 63.200 0.088 0.000 1.101 370 S HN -0.522 7.578 8.310 -0.235 0.068 0.514 371 Y N -1.184 119.272 120.300 0.259 0.000 2.462 371 Y HA 0.532 5.334 4.550 0.126 -0.177 0.346 371 Y C -1.058 174.785 175.900 -0.096 0.000 0.976 371 Y CA -1.287 56.893 58.100 0.133 0.000 1.044 371 Y CB 4.249 42.772 38.460 0.104 0.000 1.230 371 Y HN 0.635 9.077 8.280 0.451 0.108 0.455 372 R N 3.544 123.819 120.500 -0.374 0.000 2.254 372 R HA 0.218 4.195 4.340 -0.906 -0.180 0.318 372 R C -0.493 175.519 176.300 -0.480 0.000 1.031 372 R CA -1.204 54.430 56.100 -0.776 0.000 0.905 372 R CB 1.716 31.401 30.300 -1.024 0.000 1.050 372 R HN 0.598 8.602 8.270 -0.259 0.110 0.456 373 S N 5.715 121.041 115.700 -0.624 0.000 2.548 373 S HA 0.211 3.691 4.470 -1.650 0.000 0.277 373 S C -0.843 173.431 174.600 -0.544 0.000 1.315 373 S CA -2.744 54.865 58.200 -0.985 0.000 1.050 373 S CB 1.612 64.271 63.200 -0.901 0.000 0.918 373 S HN 0.462 8.355 8.310 -0.523 0.104 0.497 374 P HA 0.196 4.452 4.420 -0.272 0.000 0.236 374 P C 0.269 177.263 177.300 -0.511 0.000 1.177 374 P CA 0.982 63.717 63.100 -0.608 0.000 0.773 374 P CB 0.433 31.523 31.700 -1.018 0.000 0.878 375 W N -0.757 120.484 121.300 -0.097 0.000 2.560 375 W HA -0.049 4.593 4.660 -0.031 0.000 0.303 375 W C 1.285 177.771 176.519 -0.056 0.000 1.151 375 W CA 1.308 58.618 57.345 -0.058 0.000 1.426 375 W CB 0.415 29.851 29.460 -0.039 0.000 1.135 375 W HN -0.360 7.299 8.180 -0.771 0.058 0.522 376 S N -4.124 111.638 115.700 0.104 0.000 2.556 376 S HA -0.153 4.364 4.470 0.079 0.000 0.216 376 S C 0.914 175.506 174.600 -0.014 0.000 0.970 376 S CA 0.631 58.861 58.200 0.050 0.000 0.912 376 S CB 0.824 64.051 63.200 0.045 0.000 0.790 376 S HN -0.761 7.707 8.310 0.030 -0.140 0.504 377 N N 0.421 119.074 118.700 -0.079 0.000 2.725 377 N HA -0.345 4.426 4.740 -0.150 -0.121 0.249 377 N C -1.778 173.667 175.510 -0.108 0.000 1.103 377 N CA 1.728 54.718 53.050 -0.099 0.000 0.707 377 N CB -1.089 37.380 38.487 -0.030 0.000 1.043 377 N HN -0.368 7.888 8.380 -0.116 0.054 0.553 378 K N -3.433 116.883 120.400 -0.140 0.000 2.328 378 K HA 0.367 4.686 4.320 -0.002 0.000 0.246 378 K C -1.031 175.481 176.600 -0.147 0.000 0.955 378 K CA -2.539 53.706 56.287 -0.071 0.000 0.817 378 K CB 2.282 34.782 32.500 0.001 0.000 1.208 378 K HN -0.864 7.260 8.250 -0.172 0.024 0.432 379 Y N 0.343 120.642 120.300 -0.002 0.000 2.301 379 Y HA 0.393 5.185 4.550 0.023 -0.228 0.325 379 Y C -0.007 175.926 175.900 0.055 0.000 1.203 379 Y CA 0.365 58.475 58.100 0.017 0.000 1.255 379 Y CB 1.973 40.431 38.460 -0.002 0.000 1.232 379 Y HN 0.316 8.742 8.280 0.243 0.000 0.501 380 D N 0.808 121.376 120.400 0.280 0.000 2.970 380 D HA 0.426 5.266 4.640 0.186 -0.088 0.230 380 D C -2.328 174.123 176.300 0.251 0.000 1.276 380 D CA -3.181 50.959 54.000 0.233 0.000 0.910 380 D CB 3.804 44.746 40.800 0.237 0.000 1.590 380 D HN 0.428 8.991 8.370 0.321 0.000 0.551 381 P HA 0.195 4.688 4.420 0.120 0.000 0.270 381 P C -1.993 175.378 177.300 0.117 0.000 1.223 381 P CA -0.871 62.301 63.100 0.120 0.000 0.785 381 P CB -0.668 31.079 31.700 0.078 0.000 0.923 382 P HA -0.107 4.529 4.420 0.117 -0.146 0.262 382 P C -1.243 176.080 177.300 0.038 0.000 1.182 382 P CA 0.694 63.843 63.100 0.081 0.000 0.761 382 P CB 0.241 31.977 31.700 0.060 0.000 0.795 383 L N 4.370 125.609 121.223 0.027 0.000 2.301 383 L HA 0.328 4.626 4.340 -0.070 0.000 0.264 383 L C 0.659 177.505 176.870 -0.040 0.000 1.016 383 L CA -1.568 53.233 54.840 -0.066 0.000 0.821 383 L CB 2.254 44.168 42.059 -0.242 0.000 1.346 383 L HN -0.060 8.221 8.230 0.084 0.000 0.429 384 E N 0.388 120.551 120.200 -0.062 0.000 2.045 384 E HA -0.020 4.323 4.350 -0.012 0.000 0.190 384 E C -0.369 176.210 176.600 -0.036 0.000 0.968 384 E CA 1.131 57.510 56.400 -0.035 0.000 0.813 384 E CB 0.614 30.293 29.700 -0.035 0.000 0.780 384 E HN 0.129 8.437 8.360 -0.087 0.000 0.455 385 D N -0.779 119.580 120.400 -0.068 0.000 3.010 385 D HA 0.156 4.782 4.640 -0.023 0.000 0.347 385 D C -0.934 175.304 176.300 -0.103 0.000 1.340 385 D CA -0.357 53.609 54.000 -0.056 0.000 0.858 385 D CB 0.256 41.030 40.800 -0.044 0.000 1.111 385 D HN -0.321 7.993 8.370 -0.093 0.000 0.482 386 G N -1.370 107.328 108.800 -0.169 0.000 2.554 386 G HA2 -0.081 3.729 3.960 -0.455 0.000 0.238 386 G HA3 -0.081 3.410 3.960 -0.782 0.000 0.238 386 G C -0.732 174.146 174.900 -0.035 0.000 1.259 386 G CA -0.269 44.612 45.100 -0.364 0.000 0.843 386 G HN -0.483 7.732 8.290 -0.124 0.000 0.582 387 A N 3.470 126.274 122.820 -0.027 0.000 2.524 387 A HA -0.094 4.257 4.320 0.052 0.000 0.250 387 A C -1.237 176.479 177.584 0.221 0.000 1.078 387 A CA 1.195 53.287 52.037 0.092 0.000 0.761 387 A CB 0.534 19.566 19.000 0.054 0.000 1.012 387 A HN 0.312 8.744 8.150 -0.184 -0.392 0.500 388 M N 1.955 121.641 119.600 0.144 0.000 2.530 388 M HA 0.355 4.915 4.480 0.133 0.000 0.307 388 M C -2.009 174.351 176.300 0.099 0.000 1.161 388 M CA -3.330 52.045 55.300 0.126 0.000 0.903 388 M CB 1.612 34.275 32.600 0.106 0.000 1.711 388 M HN -0.180 8.171 8.290 0.101 0.000 0.451 389 P HA 0.234 4.723 4.420 0.116 0.000 0.274 389 P C -0.686 176.650 177.300 0.060 0.000 1.246 389 P CA -0.716 62.441 63.100 0.094 0.000 0.795 389 P CB 0.619 32.379 31.700 0.099 0.000 1.006 390 S N -0.948 114.780 115.700 0.047 0.000 2.580 390 S HA -0.150 4.339 4.470 0.031 0.000 0.266 390 S C 1.500 176.110 174.600 0.017 0.000 1.354 390 S CA 0.102 58.319 58.200 0.027 0.000 1.008 390 S CB 1.106 64.315 63.200 0.016 0.000 0.898 390 S HN 0.141 8.483 8.310 0.053 0.000 0.555 391 A N 3.128 125.956 122.820 0.013 0.000 1.940 391 A HA -0.261 4.068 4.320 0.014 0.000 0.219 391 A C 2.364 179.948 177.584 -0.001 0.000 1.176 391 A CA 3.318 55.361 52.037 0.009 0.000 0.631 391 A CB -0.496 18.509 19.000 0.009 0.000 0.814 391 A HN 0.766 8.924 8.150 0.014 0.000 0.446 392 R N -2.553 117.941 120.500 -0.011 0.000 2.090 392 R HA -0.191 4.136 4.340 -0.022 0.000 0.228 392 R C 2.419 178.688 176.300 -0.052 0.000 1.110 392 R CA 2.618 58.701 56.100 -0.027 0.000 0.973 392 R CB -0.287 29.995 30.300 -0.030 0.000 0.869 392 R HN 0.022 8.276 8.270 -0.007 0.012 0.440 393 L N -0.346 120.844 121.223 -0.054 0.000 2.109 393 L HA -0.132 4.111 4.340 -0.161 0.000 0.207 393 L C 1.239 178.082 176.870 -0.046 0.000 1.086 393 L CA 2.214 57.001 54.840 -0.088 0.000 0.760 393 L CB -0.202 41.821 42.059 -0.060 0.000 0.910 393 L HN -0.136 7.992 8.230 -0.032 0.082 0.437 394 R N -0.510 119.985 120.500 -0.009 0.000 2.091 394 R HA -0.393 3.958 4.340 0.019 0.000 0.238 394 R C 1.839 178.140 176.300 0.002 0.000 1.136 394 R CA 2.533 58.638 56.100 0.008 0.000 0.959 394 R CB -0.911 29.399 30.300 0.018 0.000 0.856 394 R HN 0.535 8.695 8.270 -0.003 0.108 0.437 395 K N -1.051 119.346 120.400 -0.006 0.000 2.057 395 K HA -0.260 4.068 4.320 0.012 0.000 0.207 395 K C 2.330 178.927 176.600 -0.006 0.000 1.049 395 K CA 2.767 59.054 56.287 -0.001 0.000 0.931 395 K CB -0.784 31.713 32.500 -0.006 0.000 0.714 395 K HN -0.601 7.638 8.250 -0.011 0.005 0.440 396 L N -0.432 120.770 121.223 -0.035 0.000 2.131 396 L HA -0.208 4.119 4.340 -0.021 0.000 0.210 396 L C 1.573 178.436 176.870 -0.012 0.000 1.092 396 L CA 2.868 57.682 54.840 -0.045 0.000 0.759 396 L CB -0.248 41.729 42.059 -0.137 0.000 0.903 396 L HN -0.655 7.474 8.230 -0.053 0.070 0.435 397 E N -0.198 119.995 120.200 -0.012 0.000 2.106 397 E HA -0.342 4.017 4.350 0.015 0.000 0.192 397 E C 2.424 179.040 176.600 0.026 0.000 0.984 397 E CA 3.414 59.819 56.400 0.009 0.000 0.806 397 E CB -0.060 29.647 29.700 0.013 0.000 0.750 397 E HN 0.022 8.247 8.360 -0.024 0.121 0.458 398 V N 0.349 120.285 119.914 0.037 0.000 2.295 398 V HA -0.561 3.614 4.120 0.091 0.000 0.246 398 V C 2.121 178.270 176.094 0.091 0.000 1.049 398 V CA 4.621 66.965 62.300 0.073 0.000 1.024 398 V CB 0.074 31.938 31.823 0.068 0.000 0.648 398 V HN 0.136 8.252 8.190 0.025 0.089 0.447 399 E N -0.863 119.376 120.200 0.065 0.000 2.110 399 E HA -0.385 4.005 4.350 0.065 0.000 0.193 399 E C 2.295 178.949 176.600 0.091 0.000 0.988 399 E CA 3.243 59.682 56.400 0.065 0.000 0.804 399 E CB -0.340 29.384 29.700 0.040 0.000 0.745 399 E HN -0.378 8.009 8.360 0.046 0.000 0.458 400 A N -0.531 122.357 122.820 0.113 0.000 1.898 400 A HA -0.278 4.163 4.320 0.202 0.000 0.216 400 A C 1.931 179.682 177.584 0.279 0.000 1.181 400 A CA 3.246 55.408 52.037 0.207 0.000 0.620 400 A CB -0.826 18.297 19.000 0.204 0.000 0.819 400 A HN 0.300 8.418 8.150 0.085 0.082 0.442 401 N N -1.381 117.431 118.700 0.186 0.000 2.120 401 N HA -0.372 4.503 4.740 0.226 0.000 0.188 401 N C 2.059 177.739 175.510 0.285 0.000 1.024 401 N CA 3.626 56.813 53.050 0.229 0.000 0.852 401 N CB -0.165 38.440 38.487 0.195 0.000 1.003 401 N HN -0.106 8.349 8.380 0.125 0.000 0.424 402 N N 0.911 119.737 118.700 0.209 0.000 2.120 402 N HA -0.294 4.543 4.740 0.161 0.000 0.188 402 N C 1.550 177.124 175.510 0.106 0.000 1.024 402 N CA 3.406 56.545 53.050 0.149 0.000 0.852 402 N CB 0.309 38.855 38.487 0.098 0.000 1.003 402 N HN -0.189 8.299 8.380 0.180 0.000 0.424 403 A N -0.014 122.844 122.820 0.063 0.000 1.902 403 A HA -0.233 4.060 4.320 -0.046 0.000 0.217 403 A C 2.282 179.803 177.584 -0.105 0.000 1.181 403 A CA 2.999 54.997 52.037 -0.065 0.000 0.623 403 A CB -0.617 18.273 19.000 -0.183 0.000 0.818 403 A HN -0.045 8.156 8.150 0.084 0.000 0.443 404 F N -3.195 116.829 119.950 0.125 0.000 2.456 404 F HA -0.226 4.456 4.527 0.258 0.000 0.298 404 F C 1.941 177.881 175.800 0.234 0.000 1.104 404 F CA 3.614 61.723 58.000 0.181 0.000 1.435 404 F CB -0.308 38.749 39.000 0.095 0.000 1.078 404 F HN 0.074 8.518 8.300 0.240 0.000 0.546 405 D N 1.486 122.070 120.400 0.308 0.000 2.117 405 D HA -0.180 4.610 4.640 0.251 0.000 0.198 405 D C 2.613 179.017 176.300 0.173 0.000 0.982 405 D CA 3.875 58.013 54.000 0.229 0.000 0.828 405 D CB -0.305 40.593 40.800 0.164 0.000 0.967 405 D HN -0.202 8.206 8.370 0.277 0.128 0.464 406 Q N -0.460 119.421 119.800 0.136 0.000 2.079 406 Q HA -0.289 4.088 4.340 0.062 0.000 0.200 406 Q C 2.313 178.390 176.000 0.128 0.000 0.974 406 Q CA 2.981 58.838 55.803 0.089 0.000 0.840 406 Q CB 0.227 28.992 28.738 0.045 0.000 0.898 406 Q HN -0.589 7.756 8.270 0.125 0.000 0.430 407 Y N 0.721 121.064 120.300 0.072 0.000 2.128 407 Y HA -0.500 4.141 4.550 0.151 0.000 0.284 407 Y C 1.368 177.453 175.900 0.309 0.000 1.154 407 Y CA 3.458 61.656 58.100 0.163 0.000 1.149 407 Y CB 0.037 38.571 38.460 0.123 0.000 0.976 407 Y HN -0.153 8.210 8.280 0.239 0.061 0.505 408 R N -1.458 119.238 120.500 0.327 0.000 2.073 408 R HA -0.517 4.070 4.340 0.411 0.000 0.234 408 R C 1.982 178.405 176.300 0.206 0.000 1.134 408 R CA 3.951 60.220 56.100 0.283 0.000 0.952 408 R CB -0.247 30.176 30.300 0.204 0.000 0.850 408 R HN 0.364 8.777 8.270 0.437 0.119 0.433 409 D N -0.505 119.965 120.400 0.116 0.000 2.144 409 D HA -0.202 4.481 4.640 0.072 0.000 0.199 409 D C 2.756 179.054 176.300 -0.003 0.000 0.984 409 D CA 3.390 57.425 54.000 0.058 0.000 0.834 409 D CB -0.248 40.571 40.800 0.032 0.000 0.955 409 D HN -0.352 8.093 8.370 0.125 0.000 0.465 410 L N -1.465 119.726 121.223 -0.053 0.000 2.093 410 L HA -0.319 3.920 4.340 -0.169 0.000 0.208 410 L C 1.936 178.615 176.870 -0.318 0.000 1.085 410 L CA 2.994 57.724 54.840 -0.184 0.000 0.755 410 L CB 0.076 42.007 42.059 -0.214 0.000 0.904 410 L HN -0.168 8.039 8.230 -0.018 0.012 0.435 411 Y N -4.536 115.577 120.300 -0.311 0.000 2.503 411 Y HA -0.140 4.159 4.550 -0.418 0.000 0.277 411 Y C 0.846 176.397 175.900 -0.581 0.000 1.102 411 Y CA 3.203 61.008 58.100 -0.492 0.000 1.261 411 Y CB 1.725 39.726 38.460 -0.764 0.000 1.096 411 Y HN -0.566 7.666 8.280 -0.080 0.000 0.546 412 F N -6.742 113.140 119.950 -0.114 0.000 2.724 412 F HA 0.214 4.643 4.527 -0.164 0.000 0.306 412 F C -0.903 174.845 175.800 -0.087 0.000 1.100 412 F CA -0.101 57.819 58.000 -0.132 0.000 1.255 412 F CB 2.229 41.144 39.000 -0.140 0.000 1.072 412 F HN 0.170 8.502 8.300 0.235 0.108 0.589 413 E N -1.413 118.838 120.200 0.086 0.000 2.328 413 E HA -0.438 4.046 4.350 0.019 -0.123 0.233 413 E C -0.332 176.303 176.600 0.057 0.000 1.219 413 E CA 0.548 56.970 56.400 0.036 0.000 0.717 413 E CB -2.309 27.386 29.700 -0.007 0.000 1.210 413 E HN -0.331 7.977 8.360 0.070 0.094 0.381 414 G N -3.642 105.209 108.800 0.084 0.000 2.339 414 G HA2 -0.090 3.897 3.960 0.044 0.000 0.275 414 G HA3 -0.090 3.905 3.960 0.058 0.000 0.275 414 G C -1.533 173.402 174.900 0.059 0.000 1.323 414 G CA -0.388 44.749 45.100 0.062 0.000 0.927 414 G HN -0.822 7.529 8.290 0.113 0.007 0.486 415 G N -0.592 108.234 108.800 0.044 0.000 2.693 415 G HA2 -0.294 3.674 3.960 0.035 0.000 0.226 415 G HA3 -0.294 3.729 3.960 -0.021 -0.076 0.226 415 G C -1.179 173.738 174.900 0.028 0.000 1.354 415 G CA 0.161 45.273 45.100 0.020 0.000 0.873 415 G HN -0.011 8.307 8.290 0.046 0.000 0.562 416 V N 0.896 120.825 119.914 0.025 0.000 2.876 416 V HA 0.387 4.576 4.120 0.115 0.000 0.312 416 V C -1.887 174.258 176.094 0.084 0.000 1.085 416 V CA -1.648 60.704 62.300 0.088 0.000 0.945 416 V CB 3.642 35.532 31.823 0.113 0.000 1.017 416 V HN 0.610 8.689 8.190 -0.004 0.108 0.428 417 S N 3.260 119.062 115.700 0.171 0.000 2.570 417 S HA 1.007 5.746 4.470 0.085 -0.218 0.286 417 S C -0.899 173.795 174.600 0.158 0.000 1.099 417 S CA -1.485 56.804 58.200 0.148 0.000 0.913 417 S CB 3.439 66.752 63.200 0.188 0.000 1.085 417 S HN 0.483 8.943 8.310 0.252 0.000 0.480 418 S N 0.445 116.142 115.700 -0.006 0.000 2.543 418 S HA 0.530 4.929 4.470 -0.356 -0.142 0.273 418 S C -1.936 172.408 174.600 -0.427 0.000 1.152 418 S CA -0.191 57.840 58.200 -0.282 0.000 0.910 418 S CB 3.733 66.790 63.200 -0.238 0.000 1.105 418 S HN 0.538 8.750 8.310 -0.005 0.095 0.465 419 V N 3.971 123.513 119.914 -0.620 0.000 2.588 419 V HA 0.857 5.010 4.120 -0.323 -0.227 0.304 419 V C -0.963 174.752 176.094 -0.631 0.000 1.042 419 V CA -1.565 60.464 62.300 -0.452 0.000 0.877 419 V CB 2.552 34.263 31.823 -0.187 0.000 0.996 419 V HN 0.283 8.358 8.190 -0.681 -0.294 0.425 420 Y N 3.520 123.872 120.300 0.086 0.000 2.425 420 Y HA 0.262 5.053 4.550 0.076 -0.195 0.344 420 Y C -1.366 174.674 175.900 0.234 0.000 0.969 420 Y CA -1.686 56.507 58.100 0.154 0.000 1.052 420 Y CB 3.483 42.078 38.460 0.224 0.000 1.215 420 Y HN 0.322 8.628 8.280 0.045 0.000 0.451 421 L N -0.400 121.032 121.223 0.349 0.000 2.301 421 L HA 0.744 5.246 4.340 0.043 -0.136 0.264 421 L C -1.606 175.526 176.870 0.438 0.000 1.016 421 L CA -1.523 53.454 54.840 0.227 0.000 0.821 421 L CB 3.717 45.824 42.059 0.081 0.000 1.346 421 L HN 0.544 9.331 8.230 0.315 -0.368 0.429 422 W N -3.250 118.122 121.300 0.119 0.000 3.363 422 W HA 0.313 5.017 4.660 0.073 0.000 0.306 422 W C -2.792 173.795 176.519 0.114 0.000 1.253 422 W CA -1.444 55.953 57.345 0.088 0.000 1.195 422 W CB 1.888 31.384 29.460 0.060 0.000 1.366 422 W HN 0.622 8.683 8.180 -0.199 0.000 0.551 423 D N 2.524 123.088 120.400 0.272 0.000 2.339 423 D HA 0.002 4.738 4.640 0.161 0.000 0.245 423 D C -0.857 175.562 176.300 0.199 0.000 1.115 423 D CA 0.785 54.891 54.000 0.176 0.000 0.917 423 D CB 1.337 42.207 40.800 0.115 0.000 1.192 423 D HN 0.063 8.606 8.370 0.289 0.000 0.428 424 L N 0.795 122.093 121.223 0.125 0.000 2.235 424 L HA 0.337 4.771 4.340 0.156 0.000 0.260 424 L C 1.760 178.667 176.870 0.063 0.000 1.025 424 L CA -1.865 53.040 54.840 0.109 0.000 0.836 424 L CB 1.534 43.627 42.059 0.057 0.000 1.395 424 L HN -0.008 8.208 8.230 0.115 0.084 0.443 425 D N 0.479 120.919 120.400 0.066 0.000 2.084 425 D HA -0.147 4.456 4.640 -0.062 0.000 0.194 425 D C 0.372 176.554 176.300 -0.197 0.000 0.990 425 D CA 3.036 57.033 54.000 -0.004 0.000 0.826 425 D CB 0.131 41.020 40.800 0.148 0.000 0.971 425 D HN 0.465 8.893 8.370 0.098 0.000 0.453 426 H N -2.251 116.830 119.070 0.018 0.000 2.562 426 H HA 0.248 4.819 4.556 0.026 0.000 0.249 426 H C -1.312 174.019 175.328 0.005 0.000 1.195 426 H CA -0.873 55.183 56.048 0.014 0.000 0.938 426 H CB -0.508 29.255 29.762 0.002 0.000 1.891 426 H HN -0.186 8.222 8.280 0.213 0.000 0.595 427 G N -2.702 106.144 108.800 0.076 0.000 2.441 427 G HA2 0.238 4.476 3.960 0.127 0.000 0.225 427 G HA3 0.238 4.395 3.960 -0.069 -0.239 0.225 427 G C -3.305 171.662 174.900 0.112 0.000 1.200 427 G CA 0.765 45.895 45.100 0.051 0.000 0.947 427 G HN -0.817 7.448 8.290 0.058 0.060 0.484 428 F N -4.363 115.468 119.950 -0.200 0.000 2.741 428 F HA 0.741 5.272 4.527 -0.230 -0.142 0.313 428 F C -3.230 172.308 175.800 -0.437 0.000 1.153 428 F CA -1.706 56.129 58.000 -0.276 0.000 0.931 428 F CB 2.634 41.486 39.000 -0.246 0.000 1.335 428 F HN -0.041 7.936 8.300 -0.538 0.000 0.460 429 A N -2.762 119.641 122.820 -0.695 0.000 2.532 429 A HA 1.011 4.938 4.320 -0.866 -0.126 0.290 429 A C -2.031 174.808 177.584 -1.243 0.000 1.143 429 A CA -1.938 49.438 52.037 -1.102 0.000 0.728 429 A CB 3.807 22.028 19.000 -1.297 0.000 1.317 429 A HN 0.889 8.683 8.150 -0.592 0.000 0.414 430 G N -3.092 105.061 108.800 -1.079 0.000 2.646 430 G HA2 0.775 4.458 3.960 -0.693 0.000 0.291 430 G HA3 0.775 4.566 3.960 -0.282 0.000 0.291 430 G C -3.537 171.202 174.900 -0.269 0.000 1.445 430 G CA 0.203 44.934 45.100 -0.616 0.000 0.814 430 G HN 0.183 7.944 8.290 -0.882 0.000 0.495 431 V N 0.020 119.992 119.914 0.097 0.000 2.656 431 V HA 1.135 5.573 4.120 0.131 -0.240 0.307 431 V C -2.499 173.646 176.094 0.085 0.000 1.051 431 V CA -3.683 58.747 62.300 0.217 0.000 0.893 431 V CB 3.512 35.685 31.823 0.583 0.000 0.999 431 V HN 0.758 9.070 8.190 0.203 0.000 0.426 432 I N 7.841 128.407 120.570 -0.005 0.000 2.362 432 I HA 0.325 4.465 4.170 -0.242 -0.115 0.289 432 I C -1.554 174.573 176.117 0.016 0.000 0.994 432 I CA -1.113 60.083 61.300 -0.172 0.000 1.158 432 I CB 1.721 39.395 38.000 -0.542 0.000 1.315 432 I HN 0.890 9.020 8.210 0.063 0.117 0.451 433 L N 6.817 128.047 121.223 0.011 0.000 2.322 433 L HA 0.869 5.483 4.340 0.097 -0.216 0.281 433 L C -1.007 175.900 176.870 0.062 0.000 1.014 433 L CA -1.459 53.427 54.840 0.076 0.000 0.815 433 L CB 2.568 44.697 42.059 0.116 0.000 1.247 433 L HN 1.023 9.109 8.230 -0.062 0.107 0.421 434 I N 1.446 122.062 120.570 0.077 0.000 2.569 434 I HA 0.699 5.058 4.170 -0.020 -0.201 0.290 434 I C -1.913 174.218 176.117 0.023 0.000 1.088 434 I CA -1.076 60.219 61.300 -0.008 0.000 1.047 434 I CB 4.149 42.065 38.000 -0.139 0.000 1.237 434 I HN 0.537 8.811 8.210 0.106 0.000 0.421 435 K N 7.100 127.489 120.400 -0.018 0.000 2.471 435 K HA 0.953 5.594 4.320 0.163 -0.224 0.252 435 K C -2.394 174.215 176.600 0.014 0.000 0.938 435 K CA -1.847 54.479 56.287 0.065 0.000 0.796 435 K CB 3.965 36.510 32.500 0.076 0.000 1.161 435 K HN 1.019 9.238 8.250 -0.052 0.000 0.425 436 K N 5.976 126.437 120.400 0.102 0.000 2.578 436 K HA 0.302 4.663 4.320 0.068 0.000 0.250 436 K C -2.727 173.988 176.600 0.191 0.000 0.955 436 K CA -1.169 55.186 56.287 0.112 0.000 0.825 436 K CB 3.307 35.886 32.500 0.132 0.000 1.151 436 K HN 0.523 8.909 8.250 0.226 0.000 0.432 437 A N 6.503 129.407 122.820 0.140 0.000 2.317 437 A HA 0.675 5.250 4.320 0.176 -0.150 0.327 437 A C -0.333 177.321 177.584 0.116 0.000 1.178 437 A CA -1.302 50.817 52.037 0.137 0.000 0.817 437 A CB 1.932 20.991 19.000 0.099 0.000 1.189 437 A HN 0.339 8.552 8.150 0.105 0.000 0.489 438 G N 0.847 109.720 108.800 0.121 0.000 2.553 438 G HA2 0.008 4.021 3.960 0.089 0.000 0.278 438 G HA3 0.008 4.027 3.960 0.099 0.000 0.278 438 G C -0.955 173.986 174.900 0.069 0.000 1.349 438 G CA -0.967 44.189 45.100 0.094 0.000 1.037 438 G HN -0.015 8.360 8.290 0.141 0.000 0.508 439 D N 0.108 120.541 120.400 0.054 0.000 2.554 439 D HA -0.188 4.473 4.640 0.036 0.000 0.251 439 D C 1.197 177.521 176.300 0.041 0.000 1.213 439 D CA 1.208 55.232 54.000 0.040 0.000 0.900 439 D CB 0.633 41.452 40.800 0.032 0.000 1.135 439 D HN 0.039 8.441 8.370 0.054 0.000 0.522 440 G N 2.418 111.239 108.800 0.036 0.000 2.776 440 G HA2 -0.218 3.765 3.960 0.039 0.000 0.209 440 G HA3 -0.218 3.760 3.960 0.029 0.000 0.209 440 G C 0.626 175.542 174.900 0.027 0.000 1.145 440 G CA 1.178 46.298 45.100 0.033 0.000 0.791 440 G HN 0.456 8.766 8.290 0.033 0.000 0.530 441 S N -2.297 113.417 115.700 0.025 0.000 2.524 441 S HA -0.002 4.479 4.470 0.019 0.000 0.216 441 S C 0.340 174.953 174.600 0.021 0.000 0.987 441 S CA 0.351 58.563 58.200 0.020 0.000 0.909 441 S CB 0.111 63.320 63.200 0.016 0.000 0.781 441 S HN -0.270 7.971 8.310 0.026 0.085 0.521 442 K N 2.675 123.091 120.400 0.026 0.000 2.144 442 K HA 0.121 4.454 4.320 0.021 0.000 0.270 442 K C 1.431 178.049 176.600 0.031 0.000 1.005 442 K CA -0.436 55.867 56.287 0.026 0.000 0.932 442 K CB 1.169 33.685 32.500 0.027 0.000 1.021 442 K HN -0.817 7.411 8.250 0.030 0.040 0.462 443 K N 2.223 122.639 120.400 0.027 0.000 2.127 443 K HA -0.317 4.019 4.320 0.028 0.000 0.208 443 K C -0.591 176.033 176.600 0.040 0.000 1.047 443 K CA 2.414 58.719 56.287 0.030 0.000 0.927 443 K CB -0.691 31.825 32.500 0.026 0.000 0.716 443 K HN 0.510 8.774 8.250 0.023 0.000 0.450 444 I N -0.991 119.607 120.570 0.046 0.000 2.339 444 I HA 0.198 4.554 4.170 0.068 -0.145 0.290 444 I C -0.500 175.662 176.117 0.074 0.000 0.994 444 I CA -1.269 60.069 61.300 0.063 0.000 1.191 444 I CB 0.963 39.002 38.000 0.065 0.000 1.343 444 I HN -0.690 7.521 8.210 0.040 0.023 0.458 445 K N 6.751 127.204 120.400 0.088 0.000 2.118 445 K HA 0.403 4.776 4.320 0.088 0.000 0.267 445 K C -0.364 176.320 176.600 0.139 0.000 0.991 445 K CA -1.990 54.357 56.287 0.099 0.000 0.916 445 K CB 1.657 34.208 32.500 0.085 0.000 1.041 445 K HN 0.671 8.974 8.250 0.088 0.000 0.455 446 G N 0.035 108.927 108.800 0.153 0.000 2.706 446 G HA2 0.674 5.009 3.960 0.232 0.000 0.297 446 G HA3 0.674 4.751 3.960 0.195 0.000 0.297 446 G C -2.438 172.601 174.900 0.231 0.000 1.403 446 G CA -0.231 44.991 45.100 0.203 0.000 0.954 446 G HN -0.170 8.200 8.290 0.133 0.000 0.500 447 C N 2.285 121.769 119.300 0.307 0.000 2.811 447 C HA 0.874 5.710 4.460 0.307 -0.191 0.352 447 C C -2.355 172.892 174.990 0.429 0.000 1.098 447 C CA -1.569 57.662 59.018 0.355 0.000 1.295 447 C CB 3.055 30.999 27.740 0.339 0.000 1.758 447 C HN 0.744 9.169 8.230 0.325 0.000 0.488 448 W N 7.714 129.132 121.300 0.197 0.000 2.532 448 W HA 0.667 5.532 4.660 0.084 -0.154 0.321 448 W C -2.691 173.912 176.519 0.140 0.000 1.037 448 W CA -2.272 55.165 57.345 0.153 0.000 1.220 448 W CB 3.349 32.940 29.460 0.219 0.000 1.361 448 W HN 1.029 9.495 8.180 0.478 0.000 0.468 449 D N 9.996 130.490 120.400 0.156 0.000 2.425 449 D HA 0.762 5.724 4.640 0.272 -0.159 0.240 449 D C -1.008 175.314 176.300 0.036 0.000 1.080 449 D CA -0.807 53.302 54.000 0.182 0.000 0.836 449 D CB 3.282 44.200 40.800 0.198 0.000 1.125 449 D HN 0.672 8.829 8.370 -0.182 0.104 0.525 450 S N 4.328 120.152 115.700 0.207 0.000 2.462 450 S HA 0.563 5.131 4.470 -0.035 -0.119 0.294 450 S C -1.113 173.469 174.600 -0.030 0.000 1.144 450 S CA -0.274 57.995 58.200 0.114 0.000 1.088 450 S CB 1.651 65.096 63.200 0.408 0.000 1.009 450 S HN 1.034 9.387 8.310 0.272 0.120 0.484 451 I N 5.458 125.900 120.570 -0.213 0.000 2.493 451 I HA 0.284 4.569 4.170 0.005 -0.112 0.279 451 I C -1.851 174.136 176.117 -0.216 0.000 1.045 451 I CA -0.601 60.637 61.300 -0.104 0.000 1.106 451 I CB 1.578 39.571 38.000 -0.012 0.000 1.216 451 I HN 0.854 8.859 8.210 -0.341 0.000 0.459 452 H N 8.056 127.159 119.070 0.054 0.000 2.511 452 H HA 0.493 5.191 4.556 0.026 -0.126 0.328 452 H C -1.197 174.144 175.328 0.021 0.000 1.044 452 H CA -1.556 54.499 56.048 0.012 0.000 1.212 452 H CB 2.227 31.947 29.762 -0.069 0.000 1.428 452 H HN 0.816 9.140 8.280 0.073 0.000 0.483 453 V N 6.340 126.332 119.914 0.130 0.000 2.378 453 V HA 0.499 4.828 4.120 0.056 -0.175 0.288 453 V C -2.088 173.996 176.094 -0.016 0.000 1.016 453 V CA -1.071 61.268 62.300 0.065 0.000 0.840 453 V CB 1.453 33.335 31.823 0.099 0.000 0.994 453 V HN 0.774 9.037 8.190 0.121 0.000 0.431 454 V N 8.544 128.389 119.914 -0.116 0.000 2.555 454 V HA 0.850 5.133 4.120 -0.098 -0.222 0.302 454 V C -2.385 173.536 176.094 -0.288 0.000 1.038 454 V CA -3.243 58.966 62.300 -0.152 0.000 0.887 454 V CB 4.035 35.785 31.823 -0.122 0.000 0.991 454 V HN 0.912 9.004 8.190 -0.164 0.000 0.434 455 E N 8.380 128.427 120.200 -0.255 0.000 2.176 455 E HA 0.394 4.477 4.350 -0.446 0.000 0.267 455 E C -1.678 174.675 176.600 -0.410 0.000 0.893 455 E CA -1.424 54.776 56.400 -0.334 0.000 0.761 455 E CB 2.739 32.329 29.700 -0.184 0.000 1.133 455 E HN 0.711 8.859 8.360 -0.175 0.107 0.409 456 V N 5.136 124.657 119.914 -0.655 0.000 2.357 456 V HA 0.469 4.341 4.120 -0.720 -0.184 0.284 456 V C -1.375 174.401 176.094 -0.530 0.000 1.018 456 V CA -1.767 60.063 62.300 -0.784 0.000 0.841 456 V CB 0.837 31.870 31.823 -1.316 0.000 0.991 456 V HN 0.988 8.714 8.190 -0.772 0.000 0.437 457 Q N 7.367 126.957 119.800 -0.351 0.000 2.390 457 Q HA 0.284 4.555 4.340 -0.114 0.000 0.249 457 Q C -0.918 175.009 176.000 -0.121 0.000 0.996 457 Q CA -1.181 54.534 55.803 -0.147 0.000 0.899 457 Q CB 0.833 29.558 28.738 -0.021 0.000 1.216 457 Q HN 1.092 9.010 8.270 -0.402 0.111 0.465 458 E N 6.316 126.489 120.200 -0.044 0.000 2.313 458 E HA 0.023 4.388 4.350 0.025 0.000 0.276 458 E C -0.619 176.008 176.600 0.046 0.000 1.031 458 E CA 0.197 56.617 56.400 0.034 0.000 0.857 458 E CB 1.051 30.819 29.700 0.115 0.000 1.040 458 E HN -0.231 8.115 8.360 -0.023 0.000 0.408 459 K N 3.912 124.337 120.400 0.041 0.000 2.201 459 K HA 0.322 4.657 4.320 0.024 0.000 0.278 459 K C 1.442 178.069 176.600 0.045 0.000 1.027 459 K CA -1.439 54.867 56.287 0.033 0.000 0.909 459 K CB 0.506 33.019 32.500 0.021 0.000 1.062 459 K HN -0.065 8.213 8.250 0.046 0.000 0.465 460 S N 5.240 120.967 115.700 0.045 0.000 2.377 460 S HA -0.343 4.163 4.470 0.060 0.000 0.224 460 S C 0.052 174.672 174.600 0.034 0.000 1.042 460 S CA 2.282 60.510 58.200 0.047 0.000 1.086 460 S CB -0.004 63.221 63.200 0.042 0.000 0.995 460 S HN 0.337 8.670 8.310 0.038 0.000 0.428 461 S N 0.462 116.177 115.700 0.024 0.000 2.449 461 S HA 0.168 4.650 4.470 0.021 0.000 0.310 461 S C -0.272 174.339 174.600 0.019 0.000 1.096 461 S CA -0.626 57.585 58.200 0.019 0.000 1.095 461 S CB 0.359 63.568 63.200 0.014 0.000 1.007 461 S HN -0.400 7.922 8.310 0.021 0.000 0.474 462 G N 4.755 113.566 108.800 0.019 0.000 3.180 462 G HA2 -0.199 3.771 3.960 0.016 0.000 0.197 462 G HA3 -0.199 3.773 3.960 0.021 0.000 0.197 462 G C -0.601 174.311 174.900 0.021 0.000 1.149 462 G CA -0.012 45.099 45.100 0.019 0.000 0.847 462 G HN 0.344 8.645 8.290 0.018 0.000 0.469 463 R N -0.654 119.861 120.500 0.024 0.000 3.152 463 R HA -0.329 4.024 4.340 0.022 0.000 0.252 463 R C -1.901 174.416 176.300 0.029 0.000 0.930 463 R CA 0.655 56.766 56.100 0.019 0.000 0.642 463 R CB -1.593 28.709 30.300 0.003 0.000 1.205 463 R HN 0.119 8.406 8.270 0.028 0.000 0.452 464 T N -2.656 111.924 114.554 0.044 0.000 3.041 464 T HA 0.683 5.211 4.350 0.082 -0.129 0.321 464 T C -2.641 172.095 174.700 0.059 0.000 1.184 464 T CA -1.613 60.527 62.100 0.066 0.000 1.050 464 T CB 2.482 71.382 68.868 0.053 0.000 1.159 464 T HN -0.412 7.853 8.240 0.042 0.000 0.469 465 A N 5.007 127.865 122.820 0.064 0.000 2.479 465 A HA 0.644 5.012 4.320 -0.041 -0.072 0.296 465 A C -2.935 174.567 177.584 -0.138 0.000 1.121 465 A CA -1.776 50.210 52.037 -0.084 0.000 0.743 465 A CB 3.844 22.713 19.000 -0.218 0.000 1.323 465 A HN 1.025 9.157 8.150 0.145 0.105 0.415 466 H N 1.380 120.261 119.070 -0.315 0.000 2.519 466 H HA 0.554 5.189 4.556 -0.078 -0.126 0.316 466 H C -1.552 173.542 175.328 -0.390 0.000 1.065 466 H CA -1.879 54.038 56.048 -0.219 0.000 1.264 466 H CB 1.535 31.217 29.762 -0.133 0.000 1.413 466 H HN 0.589 8.666 8.280 -0.151 0.112 0.465 467 Y N 6.960 126.954 120.300 -0.510 0.000 2.352 467 Y HA 0.645 5.163 4.550 -0.348 -0.177 0.339 467 Y C -1.399 174.195 175.900 -0.511 0.000 0.992 467 Y CA -1.616 56.238 58.100 -0.409 0.000 1.100 467 Y CB 2.881 41.203 38.460 -0.229 0.000 1.192 467 Y HN 1.006 9.095 8.280 -0.319 0.000 0.458 468 K N 4.630 124.900 120.400 -0.217 0.000 2.483 468 K HA 0.540 4.902 4.320 -0.146 -0.131 0.256 468 K C -2.440 174.120 176.600 -0.067 0.000 0.961 468 K CA -1.296 54.906 56.287 -0.142 0.000 0.873 468 K CB 3.140 35.587 32.500 -0.088 0.000 1.107 468 K HN 0.714 8.851 8.250 -0.189 0.000 0.432 469 L N 8.911 130.114 121.223 -0.032 0.000 2.325 469 L HA 0.785 5.293 4.340 -0.010 -0.173 0.281 469 L C -2.278 174.609 176.870 0.028 0.000 1.004 469 L CA -1.291 53.548 54.840 -0.002 0.000 0.823 469 L CB 3.899 45.958 42.059 0.001 0.000 1.236 469 L HN 1.168 9.271 8.230 -0.033 0.107 0.415 470 T N 10.268 124.849 114.554 0.044 0.000 2.791 470 T HA 0.457 4.951 4.350 0.043 -0.119 0.288 470 T C -0.930 173.811 174.700 0.067 0.000 0.999 470 T CA -0.130 62.000 62.100 0.050 0.000 0.952 470 T CB 1.061 69.956 68.868 0.046 0.000 0.938 470 T HN 1.024 9.287 8.240 0.040 0.000 0.444 471 S N 8.967 124.702 115.700 0.059 0.000 2.503 471 S HA 0.825 5.443 4.470 -0.053 -0.180 0.301 471 S C -1.189 173.367 174.600 -0.073 0.000 1.087 471 S CA -0.655 57.549 58.200 0.006 0.000 1.042 471 S CB 3.129 66.422 63.200 0.154 0.000 1.043 471 S HN 1.089 9.430 8.310 0.053 0.000 0.489 472 T N 6.587 121.041 114.554 -0.166 0.000 2.881 472 T HA 0.641 5.106 4.350 -0.128 -0.192 0.290 472 T C -1.646 172.910 174.700 -0.239 0.000 1.000 472 T CA -0.227 61.780 62.100 -0.155 0.000 0.978 472 T CB 2.406 71.215 68.868 -0.098 0.000 0.997 472 T HN 0.680 8.768 8.240 -0.254 0.000 0.443 473 V N 6.988 126.729 119.914 -0.288 0.000 2.409 473 V HA 0.597 4.642 4.120 -0.436 -0.186 0.291 473 V C -1.530 174.252 176.094 -0.519 0.000 1.020 473 V CA -1.125 60.887 62.300 -0.480 0.000 0.848 473 V CB 1.976 33.385 31.823 -0.689 0.000 0.990 473 V HN 0.611 8.652 8.190 -0.247 0.000 0.430 474 M N 7.564 126.858 119.600 -0.511 0.000 2.129 474 M HA 0.468 4.727 4.480 -0.623 -0.153 0.348 474 M C -1.877 173.930 176.300 -0.822 0.000 1.116 474 M CA -0.758 54.181 55.300 -0.601 0.000 1.022 474 M CB 1.507 33.952 32.600 -0.258 0.000 1.599 474 M HN 1.010 8.929 8.290 -0.435 0.111 0.449 475 L N 5.107 125.761 121.223 -0.949 0.000 2.325 475 L HA 0.741 4.953 4.340 -0.503 -0.174 0.281 475 L C -2.091 174.390 176.870 -0.647 0.000 1.004 475 L CA -1.296 53.102 54.840 -0.737 0.000 0.823 475 L CB 3.166 44.697 42.059 -0.879 0.000 1.236 475 L HN 0.176 7.891 8.230 -0.859 0.000 0.415 476 W N 7.072 128.397 121.300 0.041 0.000 2.532 476 W HA 0.394 5.135 4.660 0.135 0.000 0.321 476 W C -1.858 174.733 176.519 0.120 0.000 1.037 476 W CA -1.598 55.805 57.345 0.097 0.000 1.220 476 W CB 2.052 31.552 29.460 0.067 0.000 1.361 476 W HN 1.057 9.260 8.180 0.038 0.000 0.468 477 L N 1.674 123.111 121.223 0.356 0.000 2.410 477 L HA 0.818 5.508 4.340 0.252 -0.199 0.270 477 L C -1.286 175.723 176.870 0.231 0.000 0.983 477 L CA -0.919 54.086 54.840 0.275 0.000 0.822 477 L CB 3.352 45.587 42.059 0.294 0.000 1.285 477 L HN 0.524 8.982 8.230 0.381 0.000 0.409 478 Q N 1.367 121.274 119.800 0.177 0.000 2.377 478 Q HA 1.004 5.636 4.340 0.131 -0.213 0.279 478 Q C -1.533 174.527 176.000 0.101 0.000 1.049 478 Q CA -1.049 54.833 55.803 0.131 0.000 0.825 478 Q CB 5.084 33.889 28.738 0.111 0.000 1.401 478 Q HN 0.782 9.154 8.270 0.170 0.000 0.404 479 T N 1.595 116.198 114.554 0.081 0.000 3.041 479 T HA 0.445 4.831 4.350 0.059 0.000 0.321 479 T C -2.030 172.699 174.700 0.049 0.000 1.184 479 T CA -0.892 61.246 62.100 0.064 0.000 1.050 479 T CB 2.006 70.913 68.868 0.065 0.000 1.159 479 T HN 0.477 8.766 8.240 0.081 0.000 0.469 480 N N 7.414 126.137 118.700 0.039 0.000 2.918 480 N HA 0.588 5.543 4.740 0.031 -0.197 0.270 480 N C -1.206 174.320 175.510 0.027 0.000 1.536 480 N CA -0.664 52.404 53.050 0.031 0.000 0.877 480 N CB 0.794 39.296 38.487 0.025 0.000 1.190 480 N HN 0.428 8.832 8.380 0.039 0.000 0.492 481 K N 1.664 122.080 120.400 0.028 0.000 2.207 481 K HA 0.344 4.677 4.320 0.021 0.000 0.255 481 K C 0.390 177.002 176.600 0.021 0.000 0.941 481 K CA -1.384 54.917 56.287 0.024 0.000 0.825 481 K CB 2.223 34.738 32.500 0.026 0.000 1.119 481 K HN -0.594 7.675 8.250 0.031 0.000 0.430 482 T N 5.829 120.393 114.554 0.017 0.000 2.564 482 T HA -0.401 3.958 4.350 0.014 0.000 0.264 482 T C 2.373 177.082 174.700 0.016 0.000 1.100 482 T CA 4.716 66.825 62.100 0.015 0.000 1.171 482 T CB -0.156 68.719 68.868 0.013 0.000 0.863 482 T HN 0.705 8.955 8.240 0.017 0.000 0.430 483 G N 1.066 109.876 108.800 0.016 0.000 2.479 483 G HA2 -0.134 3.835 3.960 0.015 0.000 0.220 483 G HA3 -0.134 3.836 3.960 0.017 0.000 0.220 483 G C -0.007 174.904 174.900 0.019 0.000 1.115 483 G CA 1.258 46.368 45.100 0.017 0.000 0.757 483 G HN 0.406 8.706 8.290 0.016 0.000 0.560 484 S N -0.508 115.205 115.700 0.023 0.000 2.540 484 S HA 0.148 4.633 4.470 0.025 0.000 0.222 484 S C 0.870 175.485 174.600 0.025 0.000 1.008 484 S CA -0.626 57.590 58.200 0.026 0.000 0.939 484 S CB 1.163 64.383 63.200 0.033 0.000 0.865 484 S HN -0.521 7.654 8.310 0.023 0.148 0.499 485 G N 3.670 112.483 108.800 0.023 0.000 2.561 485 G HA2 -0.422 3.549 3.960 0.019 0.000 0.289 485 G HA3 -0.422 3.549 3.960 0.020 0.000 0.289 485 G C -1.753 173.162 174.900 0.025 0.000 1.169 485 G CA 0.487 45.600 45.100 0.021 0.000 0.980 485 G HN 0.227 8.421 8.290 0.021 0.108 0.550 486 T N 0.894 115.464 114.554 0.026 0.000 2.770 486 T HA 0.500 5.047 4.350 0.034 -0.176 0.283 486 T C -0.811 173.911 174.700 0.038 0.000 0.988 486 T CA -1.967 60.151 62.100 0.031 0.000 0.957 486 T CB 1.417 70.300 68.868 0.027 0.000 0.930 486 T HN -0.146 8.108 8.240 0.023 0.000 0.443 487 M N 7.199 126.828 119.600 0.049 0.000 2.190 487 M HA 0.313 4.823 4.480 0.050 0.000 0.312 487 M C -2.719 173.627 176.300 0.077 0.000 0.990 487 M CA -0.314 55.021 55.300 0.058 0.000 0.927 487 M CB 3.345 35.983 32.600 0.063 0.000 1.571 487 M HN 0.371 8.691 8.290 0.051 0.000 0.427 488 N N 6.978 125.726 118.700 0.079 0.000 2.448 488 N HA 0.374 5.352 4.740 0.130 -0.160 0.279 488 N C -1.686 173.890 175.510 0.109 0.000 1.025 488 N CA -0.388 52.727 53.050 0.108 0.000 0.898 488 N CB 2.627 41.173 38.487 0.099 0.000 1.303 488 N HN 0.363 8.781 8.380 0.063 0.000 0.495 489 L N 8.045 129.357 121.223 0.148 0.000 2.324 489 L HA 0.421 4.775 4.340 0.023 0.000 0.274 489 L C -2.360 174.625 176.870 0.192 0.000 1.012 489 L CA -1.318 53.588 54.840 0.110 0.000 0.859 489 L CB 1.690 43.839 42.059 0.149 0.000 1.224 489 L HN 0.602 8.943 8.230 0.185 0.000 0.429 490 G N 2.101 110.961 108.800 0.100 0.000 2.687 490 G HA2 0.565 4.840 3.960 0.197 0.000 0.291 490 G HA3 0.565 4.754 3.960 0.381 0.000 0.291 490 G C -1.828 172.970 174.900 -0.170 0.000 1.420 490 G CA -0.750 44.420 45.100 0.116 0.000 0.796 490 G HN -0.310 7.987 8.290 0.013 0.000 0.485 491 G N -1.504 106.926 108.800 -0.616 0.000 2.236 491 G HA2 -0.130 3.573 3.960 -0.429 0.000 0.231 491 G HA3 -0.130 3.653 3.960 -0.296 0.000 0.231 491 G C -2.862 171.685 174.900 -0.589 0.000 1.334 491 G CA -0.055 44.736 45.100 -0.516 0.000 1.137 491 G HN -0.420 7.084 8.290 -1.310 0.000 0.482 492 S N -1.033 114.485 115.700 -0.304 0.000 2.615 492 S HA 0.497 4.881 4.470 -0.322 -0.107 0.268 492 S C -1.719 172.784 174.600 -0.161 0.000 1.146 492 S CA -0.352 57.685 58.200 -0.271 0.000 0.818 492 S CB 3.011 66.052 63.200 -0.264 0.000 1.111 492 S HN -0.150 8.023 8.310 -0.228 0.000 0.465 493 L N -0.231 120.894 121.223 -0.162 0.000 2.381 493 L HA 0.511 4.797 4.340 -0.090 0.000 0.268 493 L C -1.275 175.532 176.870 -0.104 0.000 0.997 493 L CA -0.405 54.368 54.840 -0.111 0.000 0.818 493 L CB 4.282 46.285 42.059 -0.093 0.000 1.310 493 L HN 0.408 8.504 8.230 -0.223 0.000 0.416 494 T N 2.218 116.733 114.554 -0.066 0.000 2.863 494 T HA 0.899 5.406 4.350 -0.059 -0.192 0.285 494 T C -0.917 173.769 174.700 -0.023 0.000 1.009 494 T CA -1.338 60.734 62.100 -0.046 0.000 0.989 494 T CB 1.520 70.368 68.868 -0.032 0.000 1.004 494 T HN 0.045 8.251 8.240 -0.057 0.000 0.455 495 R N 3.864 124.360 120.500 -0.007 0.000 2.771 495 R HA 0.364 4.708 4.340 0.006 0.000 0.274 495 R C -3.017 173.297 176.300 0.023 0.000 0.987 495 R CA -1.150 54.956 56.100 0.010 0.000 0.908 495 R CB 3.941 34.252 30.300 0.018 0.000 1.213 495 R HN 0.780 9.045 8.270 -0.008 0.000 0.468 496 Q N 4.832 124.645 119.800 0.023 0.000 2.413 496 Q HA 1.030 5.562 4.340 0.032 -0.174 0.276 496 Q C -1.489 174.525 176.000 0.024 0.000 1.099 496 Q CA -1.337 54.482 55.803 0.026 0.000 0.814 496 Q CB 3.730 32.482 28.738 0.024 0.000 1.379 496 Q HN 0.208 8.490 8.270 0.019 0.000 0.436 497 M N 4.229 123.842 119.600 0.020 0.000 2.465 497 M HA 0.356 4.847 4.480 0.019 0.000 0.284 497 M C -2.844 173.454 176.300 -0.002 0.000 1.212 497 M CA 0.455 55.764 55.300 0.014 0.000 0.910 497 M CB 4.485 37.092 32.600 0.012 0.000 1.725 497 M HN 0.800 9.102 8.290 0.019 0.000 0.477 498 E N 2.499 122.700 120.200 0.002 0.000 2.314 498 E HA 1.002 5.485 4.350 -0.113 -0.202 0.272 498 E C -1.343 175.254 176.600 -0.004 0.000 0.884 498 E CA -1.224 55.156 56.400 -0.034 0.000 0.753 498 E CB 3.670 33.403 29.700 0.054 0.000 1.213 498 E HN 0.118 8.489 8.360 0.019 0.000 0.432 499 K N 3.581 123.945 120.400 -0.061 0.000 2.557 499 K HA 0.278 4.654 4.320 0.092 0.000 0.261 499 K C -2.470 174.198 176.600 0.113 0.000 0.932 499 K CA -0.676 55.640 56.287 0.048 0.000 0.829 499 K CB 3.635 36.157 32.500 0.036 0.000 1.358 499 K HN 0.908 9.022 8.250 -0.226 0.000 0.430 500 D N 4.765 125.272 120.400 0.180 0.000 2.210 500 D HA 0.507 5.447 4.640 0.250 -0.150 0.249 500 D C -0.811 175.594 176.300 0.175 0.000 1.078 500 D CA -0.008 54.117 54.000 0.208 0.000 0.875 500 D CB 1.458 42.359 40.800 0.168 0.000 1.175 500 D HN 0.235 8.695 8.370 0.149 0.000 0.440 501 E N 3.672 124.007 120.200 0.225 0.000 2.390 501 E HA 0.357 4.781 4.350 0.124 0.000 0.277 501 E C -1.429 175.279 176.600 0.180 0.000 0.939 501 E CA -1.251 55.269 56.400 0.199 0.000 0.769 501 E CB 4.419 34.256 29.700 0.229 0.000 1.251 501 E HN 0.682 9.186 8.360 0.240 0.000 0.450 502 T N 5.080 119.699 114.554 0.108 0.000 2.884 502 T HA -0.076 4.318 4.350 0.072 0.000 0.298 502 T C -0.498 174.248 174.700 0.077 0.000 0.998 502 T CA 1.732 63.878 62.100 0.076 0.000 1.124 502 T CB 0.326 69.219 68.868 0.042 0.000 0.931 502 T HN 0.282 8.571 8.240 0.082 0.000 0.531 503 V N 8.930 128.875 119.914 0.050 0.000 2.409 503 V HA 0.130 4.431 4.120 0.012 -0.174 0.291 503 V C -1.775 174.301 176.094 -0.030 0.000 1.020 503 V CA -1.101 61.197 62.300 -0.002 0.000 0.848 503 V CB 1.434 33.212 31.823 -0.076 0.000 0.990 503 V HN 0.196 8.298 8.190 0.044 0.114 0.430 504 S N 5.838 121.518 115.700 -0.033 0.000 2.720 504 S HA 0.329 4.782 4.470 -0.028 0.000 0.287 504 S C -0.854 173.727 174.600 -0.031 0.000 1.168 504 S CA -1.637 56.547 58.200 -0.027 0.000 0.832 504 S CB 3.157 66.350 63.200 -0.012 0.000 1.166 504 S HN -0.032 8.141 8.310 -0.032 0.118 0.493 505 D N 0.677 121.064 120.400 -0.022 0.000 2.178 505 D HA -0.121 4.506 4.640 -0.023 0.000 0.201 505 D C 0.812 177.102 176.300 -0.017 0.000 0.980 505 D CA 2.880 56.868 54.000 -0.019 0.000 0.842 505 D CB -0.211 40.581 40.800 -0.013 0.000 0.948 505 D HN 0.438 8.798 8.370 -0.018 0.000 0.472 506 S N -3.125 112.566 115.700 -0.015 0.000 2.501 506 S HA -0.046 4.416 4.470 -0.013 0.000 0.220 506 S C 0.392 174.982 174.600 -0.016 0.000 0.997 506 S CA 1.297 59.489 58.200 -0.014 0.000 0.919 506 S CB 0.767 63.961 63.200 -0.011 0.000 0.778 506 S HN -0.379 7.907 8.310 -0.014 0.016 0.523 507 S N 0.956 116.646 115.700 -0.018 0.000 2.235 507 S HA 0.424 4.880 4.470 -0.022 0.000 0.152 507 S C -2.086 172.502 174.600 -0.021 0.000 1.649 507 S CA -3.146 55.043 58.200 -0.019 0.000 1.277 507 S CB 0.779 63.969 63.200 -0.016 0.000 1.299 507 S HN -0.714 7.424 8.310 -0.018 0.161 0.388 508 P HA 0.375 4.781 4.420 -0.094 -0.042 0.277 508 P C 0.395 177.721 177.300 0.044 0.000 1.276 508 P CA -0.264 62.818 63.100 -0.031 0.000 0.788 508 P CB 1.425 33.119 31.700 -0.010 0.000 1.114 509 H N -1.398 117.762 119.070 0.149 0.000 2.319 509 H HA -0.294 4.459 4.556 0.329 0.000 0.297 509 H C 2.671 178.087 175.328 0.145 0.000 1.097 509 H CA 3.770 59.967 56.048 0.247 0.000 1.285 509 H CB -0.224 29.766 29.762 0.380 0.000 1.368 509 H HN 0.405 8.674 8.280 -0.019 0.000 0.495 510 I N -1.698 119.009 120.570 0.229 0.000 2.226 510 I HA -0.406 3.874 4.170 0.183 0.000 0.245 510 I C 1.410 177.529 176.117 0.004 0.000 1.100 510 I CA 3.899 65.272 61.300 0.122 0.000 1.374 510 I CB -0.495 37.548 38.000 0.070 0.000 1.057 510 I HN -0.076 8.265 8.210 0.218 0.000 0.413 511 A N 0.180 122.991 122.820 -0.016 0.000 1.902 511 A HA -0.338 3.925 4.320 -0.095 0.000 0.217 511 A C 2.122 179.645 177.584 -0.101 0.000 1.181 511 A CA 3.370 55.367 52.037 -0.065 0.000 0.623 511 A CB -1.014 17.958 19.000 -0.046 0.000 0.818 511 A HN -0.225 7.935 8.150 0.016 0.000 0.443 512 N N -1.234 117.390 118.700 -0.126 0.000 2.120 512 N HA -0.237 4.353 4.740 -0.250 0.000 0.188 512 N C 2.408 177.694 175.510 -0.374 0.000 1.024 512 N CA 2.754 55.617 53.050 -0.311 0.000 0.852 512 N CB -0.248 37.908 38.487 -0.552 0.000 1.003 512 N HN -0.439 7.907 8.380 -0.056 0.000 0.424 513 I N 0.584 121.005 120.570 -0.248 0.000 2.252 513 I HA -0.465 3.564 4.170 -0.235 0.000 0.245 513 I C 1.752 177.846 176.117 -0.038 0.000 1.102 513 I CA 4.440 65.664 61.300 -0.127 0.000 1.385 513 I CB -0.337 37.703 38.000 0.067 0.000 1.064 513 I HN 0.385 8.516 8.210 -0.132 0.000 0.414 514 G N -0.686 108.092 108.800 -0.037 0.000 2.446 514 G HA2 -0.377 3.543 3.960 -0.067 0.000 0.217 514 G HA3 -0.377 3.419 3.960 -0.275 0.000 0.217 514 G C 0.967 175.786 174.900 -0.136 0.000 1.168 514 G CA 2.147 47.159 45.100 -0.146 0.000 0.771 514 G HN 0.484 8.628 8.290 -0.055 0.114 0.551 515 R N 2.084 122.516 120.500 -0.113 0.000 2.081 515 R HA -0.233 4.086 4.340 -0.034 0.000 0.235 515 R C 2.686 178.935 176.300 -0.085 0.000 1.131 515 R CA 3.240 59.294 56.100 -0.077 0.000 0.960 515 R CB -0.044 30.208 30.300 -0.079 0.000 0.856 515 R HN -0.021 8.174 8.270 -0.126 0.000 0.436 516 L N -0.773 120.374 121.223 -0.127 0.000 2.027 516 L HA -0.301 3.989 4.340 -0.083 0.000 0.206 516 L C 2.160 178.961 176.870 -0.116 0.000 1.074 516 L CA 3.104 57.876 54.840 -0.114 0.000 0.745 516 L CB -0.266 41.705 42.059 -0.147 0.000 0.898 516 L HN -0.370 7.763 8.230 -0.161 0.000 0.433 517 V N 0.396 120.200 119.914 -0.184 0.000 2.287 517 V HA -0.554 3.318 4.120 -0.414 0.000 0.248 517 V C 1.911 177.876 176.094 -0.214 0.000 1.053 517 V CA 4.813 66.904 62.300 -0.348 0.000 1.027 517 V CB -0.373 31.158 31.823 -0.486 0.000 0.646 517 V HN 0.372 8.466 8.190 -0.161 0.000 0.447 518 E N 0.355 120.468 120.200 -0.144 0.000 2.038 518 E HA -0.396 3.996 4.350 0.071 0.000 0.195 518 E C 2.257 178.861 176.600 0.006 0.000 1.000 518 E CA 3.218 59.624 56.400 0.011 0.000 0.803 518 E CB -0.205 29.583 29.700 0.146 0.000 0.750 518 E HN 0.095 8.354 8.360 -0.169 0.000 0.448 519 D N -0.832 119.572 120.400 0.006 0.000 2.117 519 D HA -0.253 4.408 4.640 0.036 0.000 0.197 519 D C 2.403 178.723 176.300 0.035 0.000 0.987 519 D CA 3.026 57.039 54.000 0.022 0.000 0.829 519 D CB -0.364 40.442 40.800 0.010 0.000 0.961 519 D HN -0.279 8.083 8.370 -0.013 0.000 0.460 520 M N 1.181 120.801 119.600 0.034 0.000 2.067 520 M HA -0.370 4.152 4.480 0.071 0.000 0.260 520 M C 1.515 177.900 176.300 0.141 0.000 1.069 520 M CA 2.754 58.104 55.300 0.083 0.000 1.117 520 M CB -0.233 32.429 32.600 0.103 0.000 1.334 520 M HN 0.058 8.348 8.290 0.000 0.000 0.407 521 E N -1.074 119.232 120.200 0.177 0.000 2.153 521 E HA -0.445 4.117 4.350 0.353 0.000 0.194 521 E C 2.662 179.361 176.600 0.164 0.000 0.988 521 E CA 3.175 59.734 56.400 0.265 0.000 0.811 521 E CB -0.502 29.395 29.700 0.328 0.000 0.746 521 E HN 0.479 8.803 8.360 0.119 0.107 0.466 522 N N -0.278 118.457 118.700 0.058 0.000 2.188 522 N HA -0.209 4.552 4.740 0.034 0.000 0.184 522 N C 2.146 177.704 175.510 0.080 0.000 1.018 522 N CA 2.694 55.773 53.050 0.049 0.000 0.858 522 N CB -0.426 38.086 38.487 0.043 0.000 0.989 522 N HN -0.069 8.332 8.380 0.034 0.000 0.426 523 K N 0.837 121.283 120.400 0.077 0.000 2.062 523 K HA -0.214 4.142 4.320 0.059 0.000 0.205 523 K C 2.323 178.966 176.600 0.071 0.000 1.051 523 K CA 3.327 59.653 56.287 0.066 0.000 0.941 523 K CB 0.156 32.688 32.500 0.053 0.000 0.719 523 K HN -0.459 7.827 8.250 0.075 0.009 0.440 524 I N -1.000 119.624 120.570 0.090 0.000 2.394 524 I HA -0.392 3.793 4.170 0.026 0.000 0.251 524 I C 1.342 177.503 176.117 0.075 0.000 1.136 524 I CA 3.684 65.020 61.300 0.060 0.000 1.425 524 I CB -0.252 37.776 38.000 0.047 0.000 1.079 524 I HN 0.185 8.462 8.210 0.112 0.000 0.425 525 R N 0.058 120.669 120.500 0.184 0.000 2.096 525 R HA -0.395 4.129 4.340 0.308 0.000 0.235 525 R C 2.194 178.575 176.300 0.135 0.000 1.127 525 R CA 3.844 60.093 56.100 0.248 0.000 0.968 525 R CB -0.337 30.126 30.300 0.271 0.000 0.861 525 R HN 0.019 8.391 8.270 0.199 0.018 0.440 526 S N -1.667 114.093 115.700 0.100 0.000 2.368 526 S HA -0.189 4.335 4.470 0.091 0.000 0.224 526 S C 2.048 176.684 174.600 0.060 0.000 1.029 526 S CA 3.769 62.017 58.200 0.079 0.000 0.988 526 S CB -0.450 62.788 63.200 0.064 0.000 0.838 526 S HN -0.603 7.758 8.310 0.099 0.009 0.462 527 T N 5.315 119.894 114.554 0.040 0.000 2.788 527 T HA -0.247 4.117 4.350 0.024 0.000 0.268 527 T C 2.023 176.727 174.700 0.006 0.000 1.044 527 T CA 4.955 67.067 62.100 0.020 0.000 1.139 527 T CB -0.312 68.560 68.868 0.007 0.000 0.867 527 T HN -0.431 7.836 8.240 0.044 0.000 0.454 528 L N 0.533 121.741 121.223 -0.026 0.000 2.017 528 L HA -0.493 3.825 4.340 -0.036 0.000 0.208 528 L C 1.449 178.252 176.870 -0.112 0.000 1.073 528 L CA 3.540 58.315 54.840 -0.109 0.000 0.745 528 L CB -0.633 41.261 42.059 -0.274 0.000 0.894 528 L HN 0.327 8.547 8.230 -0.016 0.000 0.432 529 N N -1.324 117.384 118.700 0.014 0.000 2.069 529 N HA -0.402 4.505 4.740 0.278 0.000 0.191 529 N C 2.318 177.911 175.510 0.138 0.000 1.031 529 N CA 3.775 56.932 53.050 0.178 0.000 0.852 529 N CB 0.090 38.724 38.487 0.245 0.000 1.018 529 N HN -0.308 8.103 8.380 0.050 0.000 0.423 530 E N 0.510 120.760 120.200 0.083 0.000 2.031 530 E HA -0.324 4.082 4.350 0.093 0.000 0.193 530 E C 2.614 179.232 176.600 0.030 0.000 0.994 530 E CA 2.984 59.423 56.400 0.066 0.000 0.800 530 E CB 0.117 29.844 29.700 0.045 0.000 0.752 530 E HN -0.358 8.044 8.360 0.070 0.000 0.447 531 I N -0.634 119.940 120.570 0.006 0.000 2.142 531 I HA -0.399 3.747 4.170 -0.040 0.000 0.240 531 I C 2.152 178.216 176.117 -0.089 0.000 1.078 531 I CA 2.542 63.823 61.300 -0.032 0.000 1.343 531 I CB -1.212 36.770 38.000 -0.031 0.000 1.046 531 I HN 0.361 8.472 8.210 0.015 0.107 0.405 532 Y N -1.007 119.072 120.300 -0.370 0.000 2.089 532 Y HA -0.381 3.951 4.550 -0.364 0.000 0.282 532 Y C 2.824 178.461 175.900 -0.438 0.000 1.139 532 Y CA 4.311 62.076 58.100 -0.558 0.000 1.123 532 Y CB -0.275 37.540 38.460 -1.075 0.000 0.980 532 Y HN 0.076 8.406 8.280 0.085 0.000 0.493 533 F N -5.763 114.294 119.950 0.179 0.000 2.754 533 F HA 0.136 4.719 4.527 0.093 0.000 0.297 533 F C 1.434 177.271 175.800 0.062 0.000 1.122 533 F CA 0.503 58.563 58.000 0.101 0.000 1.400 533 F CB -0.672 38.380 39.000 0.088 0.000 1.117 533 F HN -0.436 7.574 8.300 -0.483 0.000 0.587 534 G N 0.584 109.474 108.800 0.151 0.000 2.765 534 G HA2 -0.074 3.954 3.960 0.113 0.000 0.218 534 G HA3 -0.074 4.024 3.960 0.084 -0.087 0.218 534 G C 0.287 175.214 174.900 0.044 0.000 1.271 534 G CA 1.102 46.261 45.100 0.097 0.000 0.865 534 G HN -0.086 8.137 8.290 0.088 0.120 0.604 535 K N 2.752 123.157 120.400 0.009 0.000 2.002 535 K HA -0.186 4.130 4.320 -0.006 0.000 0.209 535 K C 2.321 178.901 176.600 -0.034 0.000 1.048 535 K CA 2.603 58.879 56.287 -0.018 0.000 0.930 535 K CB -0.251 32.227 32.500 -0.037 0.000 0.714 535 K HN 0.010 8.264 8.250 0.006 0.000 0.438 536 T N -2.320 112.195 114.554 -0.066 0.000 2.915 536 T HA -0.289 4.017 4.350 -0.073 0.000 0.269 536 T C 2.052 176.739 174.700 -0.022 0.000 1.071 536 T CA 4.246 66.302 62.100 -0.074 0.000 1.132 536 T CB -0.414 68.370 68.868 -0.141 0.000 0.878 536 T HN 0.041 8.228 8.240 -0.088 0.000 0.479 537 K N 1.391 121.800 120.400 0.014 0.000 2.057 537 K HA -0.259 4.085 4.320 0.040 0.000 0.206 537 K C 1.713 178.328 176.600 0.025 0.000 1.050 537 K CA 3.287 59.599 56.287 0.041 0.000 0.935 537 K CB -0.287 32.261 32.500 0.080 0.000 0.715 537 K HN -0.629 7.610 8.250 0.020 0.023 0.439 538 D N -0.245 120.166 120.400 0.019 0.000 2.144 538 D HA -0.242 4.408 4.640 0.017 0.000 0.199 538 D C 2.716 179.018 176.300 0.002 0.000 0.984 538 D CA 3.292 57.300 54.000 0.012 0.000 0.834 538 D CB -0.401 40.405 40.800 0.010 0.000 0.955 538 D HN -0.419 7.964 8.370 0.021 0.000 0.465 539 I N -0.869 119.697 120.570 -0.007 0.000 2.315 539 I HA -0.411 3.753 4.170 -0.011 0.000 0.248 539 I C 2.478 178.591 176.117 -0.007 0.000 1.117 539 I CA 3.468 64.760 61.300 -0.013 0.000 1.404 539 I CB 0.051 38.035 38.000 -0.026 0.000 1.071 539 I HN -0.278 7.829 8.210 -0.011 0.097 0.419 540 V N 1.563 121.475 119.914 -0.003 0.000 2.343 540 V HA -0.517 3.603 4.120 -0.000 0.000 0.247 540 V C 1.401 177.499 176.094 0.008 0.000 1.051 540 V CA 4.101 66.403 62.300 0.004 0.000 1.036 540 V CB -0.506 31.324 31.823 0.011 0.000 0.654 540 V HN -0.188 7.916 8.190 -0.003 0.084 0.451 541 N N -3.220 115.486 118.700 0.011 0.000 2.512 541 N HA -0.105 4.741 4.740 0.013 -0.098 0.183 541 N C 0.903 176.417 175.510 0.008 0.000 1.073 541 N CA 1.830 54.887 53.050 0.012 0.000 0.911 541 N CB -0.112 38.384 38.487 0.015 0.000 0.964 541 N HN -0.171 8.132 8.380 0.012 0.084 0.447 542 G N -3.289 105.513 108.800 0.004 0.000 2.838 542 G HA2 0.022 3.984 3.960 0.003 0.000 0.210 542 G HA3 0.022 3.981 3.960 -0.001 0.000 0.210 542 G C -0.053 174.847 174.900 0.001 0.000 1.153 542 G CA 0.271 45.372 45.100 0.002 0.000 0.778 542 G HN -0.436 7.670 8.290 0.003 0.186 0.539 543 L N -1.251 119.974 121.223 0.002 0.000 2.249 543 L HA 0.003 4.343 4.340 0.001 0.000 0.207 543 L C 0.727 177.600 176.870 0.005 0.000 1.090 543 L CA 1.116 55.957 54.840 0.002 0.000 0.802 543 L CB 0.901 42.961 42.059 0.001 0.000 0.947 543 L HN -0.703 7.360 8.230 0.003 0.169 0.453 544 R N -2.833 117.672 120.500 0.007 0.000 2.734 544 R HA 0.236 4.581 4.340 0.008 0.000 0.271 544 R C -2.260 174.046 176.300 0.010 0.000 1.021 544 R CA -0.692 55.413 56.100 0.008 0.000 0.893 544 R CB 3.579 33.885 30.300 0.009 0.000 1.244 544 R HN -0.684 7.590 8.270 0.007 0.000 0.464 545 S N 0.727 116.433 115.700 0.011 0.000 2.575 545 S HA 0.429 4.906 4.470 0.012 0.000 0.278 545 S C 0.031 174.638 174.600 0.011 0.000 1.139 545 S CA -1.208 56.999 58.200 0.012 0.000 0.954 545 S CB 1.740 64.947 63.200 0.012 0.000 1.054 545 S HN 0.200 8.516 8.310 0.010 0.000 0.483 546 I N 3.317 123.894 120.570 0.012 0.000 2.353 546 I HA -0.211 3.965 4.170 0.011 0.000 0.248 546 I C 0.311 176.435 176.117 0.011 0.000 1.119 546 I CA 0.891 62.198 61.300 0.011 0.000 1.417 546 I CB 0.257 38.264 38.000 0.012 0.000 1.078 546 I HN 0.430 8.648 8.210 0.013 0.000 0.421 547 D N -0.171 120.235 120.400 0.011 0.000 2.302 547 D HA 0.089 4.735 4.640 0.010 0.000 0.248 547 D C -0.476 175.830 176.300 0.011 0.000 1.094 547 D CA -0.098 53.909 54.000 0.011 0.000 0.897 547 D CB 0.934 41.741 40.800 0.011 0.000 1.200 547 D HN -0.394 7.983 8.370 0.012 0.000 0.429 548 A N 1.462 124.289 122.820 0.010 0.000 2.548 548 A HA -0.083 4.243 4.320 0.011 0.000 0.247 548 A C -0.311 177.281 177.584 0.013 0.000 1.067 548 A CA 0.731 52.774 52.037 0.011 0.000 0.757 548 A CB 0.358 19.363 19.000 0.010 0.000 0.996 548 A HN 0.263 8.419 8.150 0.010 0.000 0.504 549 I N 5.976 126.555 120.570 0.014 0.000 2.363 549 I HA 0.019 4.199 4.170 0.017 0.000 0.292 549 I C -1.714 174.415 176.117 0.019 0.000 1.075 549 I CA -2.384 58.926 61.300 0.017 0.000 1.333 549 I CB 0.308 38.319 38.000 0.018 0.000 1.415 549 I HN -0.122 8.096 8.210 0.013 0.000 0.502 550 P HA -0.144 4.286 4.420 0.017 0.000 0.247 550 P C -1.216 176.100 177.300 0.027 0.000 1.147 550 P CA 0.257 63.370 63.100 0.021 0.000 0.964 550 P CB -0.500 31.214 31.700 0.024 0.000 0.944 551 D N 4.366 124.779 120.400 0.022 0.000 2.506 551 D HA -0.328 4.331 4.640 0.031 0.000 0.234 551 D C -0.721 175.594 176.300 0.026 0.000 1.143 551 D CA 0.477 54.492 54.000 0.025 0.000 0.871 551 D CB 1.261 42.070 40.800 0.016 0.000 1.190 551 D HN 0.056 8.436 8.370 0.017 0.000 0.459 552 N N 1.407 120.132 118.700 0.042 0.000 2.442 552 N HA 0.052 4.791 4.740 -0.001 0.000 0.274 552 N C -0.140 175.376 175.510 0.010 0.000 1.002 552 N CA -0.153 52.917 53.050 0.034 0.000 0.910 552 N CB 1.640 40.198 38.487 0.118 0.000 1.244 552 N HN -0.040 8.370 8.380 0.051 0.000 0.492 553 Q N 5.554 125.330 119.800 -0.040 0.000 2.163 553 Q HA -0.107 4.225 4.340 -0.014 0.000 0.198 553 Q C 1.736 177.686 176.000 -0.082 0.000 0.954 553 Q CA 2.497 58.274 55.803 -0.043 0.000 0.851 553 Q CB -0.103 28.608 28.738 -0.045 0.000 0.928 553 Q HN 0.562 8.798 8.270 -0.056 0.000 0.459 554 K N 1.455 121.739 120.400 -0.193 0.000 2.001 554 K HA -0.306 3.903 4.320 -0.185 0.000 0.214 554 K C 2.545 179.000 176.600 -0.242 0.000 1.050 554 K CA 2.638 58.749 56.287 -0.293 0.000 0.934 554 K CB -0.604 31.579 32.500 -0.528 0.000 0.718 554 K HN -0.390 7.797 8.250 -0.209 -0.063 0.443 555 Y N -3.669 116.631 120.300 0.001 0.000 2.224 555 Y HA -0.354 4.196 4.550 0.001 0.000 0.289 555 Y C 2.283 178.184 175.900 0.001 0.000 1.146 555 Y CA 2.606 60.707 58.100 0.001 0.000 1.182 555 Y CB -0.651 37.809 38.460 0.001 0.000 0.983 555 Y HN -0.403 7.803 8.280 -0.582 -0.276 0.524 556 K N -2.173 118.300 120.400 0.120 0.000 2.097 556 K HA -0.323 4.048 4.320 0.084 0.000 0.205 556 K C 2.389 179.014 176.600 0.042 0.000 1.050 556 K CA 2.127 58.459 56.287 0.074 0.000 0.938 556 K CB -0.830 31.702 32.500 0.053 0.000 0.718 556 K HN -0.507 7.782 8.250 0.093 0.017 0.442 557 Q N -0.561 119.250 119.800 0.018 0.000 2.079 557 Q HA -0.229 4.115 4.340 0.007 0.000 0.200 557 Q C 2.404 178.413 176.000 0.015 0.000 0.974 557 Q CA 2.744 58.550 55.803 0.006 0.000 0.840 557 Q CB -0.139 28.590 28.738 -0.015 0.000 0.898 557 Q HN -0.297 7.976 8.270 0.005 0.000 0.430 558 L N -0.553 120.685 121.223 0.024 0.000 2.083 558 L HA -0.190 4.163 4.340 0.021 0.000 0.209 558 L C 1.786 178.680 176.870 0.040 0.000 1.083 558 L CA 2.474 57.334 54.840 0.034 0.000 0.752 558 L CB -0.510 41.582 42.059 0.056 0.000 0.899 558 L HN -0.563 7.680 8.230 0.022 0.000 0.433 559 Q N -1.526 118.304 119.800 0.050 0.000 2.124 559 Q HA -0.351 4.015 4.340 0.043 0.000 0.202 559 Q C 2.342 178.358 176.000 0.027 0.000 0.977 559 Q CA 2.928 58.757 55.803 0.043 0.000 0.850 559 Q CB -0.624 28.143 28.738 0.048 0.000 0.901 559 Q HN -0.370 7.797 8.270 0.059 0.139 0.429 560 R N -1.828 118.686 120.500 0.023 0.000 2.075 560 R HA -0.337 4.012 4.340 0.015 0.000 0.232 560 R C 2.200 178.508 176.300 0.013 0.000 1.126 560 R CA 4.064 60.174 56.100 0.016 0.000 0.963 560 R CB -0.456 29.851 30.300 0.013 0.000 0.858 560 R HN -0.603 7.667 8.270 0.025 0.016 0.435 561 E N -0.493 119.715 120.200 0.014 0.000 2.058 561 E HA -0.298 4.057 4.350 0.009 0.000 0.194 561 E C 2.578 179.185 176.600 0.011 0.000 0.997 561 E CA 2.813 59.219 56.400 0.011 0.000 0.801 561 E CB -0.378 29.328 29.700 0.011 0.000 0.746 561 E HN -0.542 7.828 8.360 0.016 0.000 0.450 562 L N -3.292 117.940 121.223 0.015 0.000 2.201 562 L HA -0.260 4.087 4.340 0.011 0.000 0.212 562 L C 2.094 178.971 176.870 0.011 0.000 1.105 562 L CA 2.344 57.192 54.840 0.013 0.000 0.775 562 L CB -0.373 41.696 42.059 0.017 0.000 0.913 562 L HN -0.666 7.575 8.230 0.018 0.000 0.440 563 S N -1.644 114.063 115.700 0.011 0.000 2.345 563 S HA -0.324 4.151 4.470 0.008 0.000 0.220 563 S C 1.696 176.300 174.600 0.007 0.000 1.031 563 S CA 3.956 62.161 58.200 0.009 0.000 0.996 563 S CB -0.117 63.089 63.200 0.010 0.000 0.882 563 S HN -0.728 7.450 8.310 0.013 0.140 0.445 564 Q N 0.438 120.242 119.800 0.007 0.000 2.291 564 Q HA -0.212 4.131 4.340 0.005 0.000 0.206 564 Q C 1.943 177.945 176.000 0.005 0.000 0.976 564 Q CA 2.344 58.150 55.803 0.005 0.000 0.875 564 Q CB -0.496 28.245 28.738 0.005 0.000 0.927 564 Q HN -0.719 7.556 8.270 0.008 0.000 0.450 565 V N -0.433 119.484 119.914 0.005 0.000 2.358 565 V HA -0.321 3.802 4.120 0.004 0.000 0.246 565 V C 0.998 177.094 176.094 0.004 0.000 1.047 565 V CA 3.076 65.379 62.300 0.005 0.000 1.035 565 V CB -0.569 31.257 31.823 0.005 0.000 0.658 565 V HN -0.499 7.656 8.190 0.006 0.039 0.452 566 L N -4.274 116.952 121.223 0.004 0.000 2.156 566 L HA -0.142 4.200 4.340 0.003 0.000 0.208 566 L C 2.208 179.080 176.870 0.003 0.000 1.095 566 L CA 2.521 57.363 54.840 0.003 0.000 0.770 566 L CB 0.043 42.104 42.059 0.003 0.000 0.914 566 L HN -0.594 7.544 8.230 0.005 0.095 0.439 567 T N -1.557 112.999 114.554 0.003 0.000 2.821 567 T HA -0.336 4.015 4.350 0.002 0.000 0.267 567 T C 1.582 176.283 174.700 0.002 0.000 1.046 567 T CA 3.623 65.724 62.100 0.002 0.000 1.139 567 T CB -0.455 68.415 68.868 0.002 0.000 0.871 567 T HN -0.562 7.680 8.240 0.003 0.000 0.454 568 Q N -0.796 119.005 119.800 0.002 0.000 2.322 568 Q HA 0.099 4.440 4.340 0.002 0.000 0.203 568 Q C -0.258 175.744 176.000 0.002 0.000 0.923 568 Q CA 0.702 56.506 55.803 0.002 0.000 0.949 568 Q CB -0.208 28.531 28.738 0.002 0.000 1.039 568 Q HN -0.472 7.800 8.270 0.003 0.000 0.496 569 R N -1.361 119.140 120.500 0.002 0.000 2.215 569 R HA 0.109 4.450 4.340 0.002 0.000 0.190 569 R C 0.717 177.018 176.300 0.001 0.000 0.968 569 R CA 0.582 56.683 56.100 0.002 0.000 1.122 569 R CB 1.558 31.859 30.300 0.002 0.000 1.151 569 R HN -0.526 7.522 8.270 0.002 0.222 0.582 570 Q N -1.330 118.470 119.800 0.001 0.000 2.308 570 Q HA 0.035 4.376 4.340 0.001 0.000 0.207 570 Q C -0.113 175.887 176.000 0.001 0.000 1.035 570 Q CA -0.183 55.621 55.803 0.001 0.000 1.008 570 Q CB 1.291 30.030 28.738 0.001 0.000 1.168 570 Q HN -0.141 8.130 8.270 0.001 0.000 0.565 571 I N 0.000 120.570 120.570 0.000 0.000 2.984 571 I HA 0.000 4.170 4.170 0.000 0.000 0.288 571 I CA 0.000 61.300 61.300 0.000 0.000 1.566 571 I CB 0.000 38.000 38.000 0.000 0.000 1.214 571 I HN 0.000 8.210 8.210 0.000 0.000 0.494