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 2fkk_1_A DATA FIRST_RESID 406 DATA SEQUENCE LYVSQGPGVD ISGDVNLTDF DKIGWPNVEA VQSYQREFNA VSNIFDTIYP DATA SEQUENCE IGTIYENAVN PNNPVTYMGF GSWKLFGQGK VLVGWNEDIS DPNFALNNND DATA SEQUENCE LDSGGNPSHT AGGTGGSTSV TLENTNLPAT ETDEEVLIVD ENGSVIVXXX DATA SEQUENCE XXXXXXXXXX YTKYREAKAS TNSTHTPPTS ITNIQPYITV YRWIRIA 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 406 L HA 0.000 3.890 4.340 -0.750 0.000 0.249 406 L C 0.000 176.562 176.870 -0.514 0.000 1.165 406 L CA 0.000 54.532 54.840 -0.514 0.000 0.813 406 L CB 0.000 41.919 42.059 -0.233 0.000 0.961 407 Y N 0.960 121.262 120.300 0.003 0.000 2.509 407 Y HA 0.300 4.852 4.550 0.004 0.000 0.341 407 Y C 0.119 176.020 175.900 0.001 0.000 1.038 407 Y CA -1.031 57.071 58.100 0.004 0.000 1.089 407 Y CB 0.874 39.339 38.460 0.008 0.000 1.241 407 Y HN -0.035 8.111 8.280 -0.224 0.000 0.468 408 V N 3.774 123.798 119.914 0.184 0.000 2.479 408 V HA -0.059 4.096 4.120 0.059 0.000 0.281 408 V C 0.447 176.591 176.094 0.083 0.000 1.031 408 V CA 0.219 62.571 62.300 0.086 0.000 1.038 408 V CB -0.050 31.802 31.823 0.049 0.000 0.981 408 V HN 0.154 8.475 8.190 0.219 0.000 0.478 409 S N 6.138 121.874 115.700 0.059 0.000 2.564 409 S HA 0.041 4.554 4.470 0.071 0.000 0.278 409 S C 0.670 175.304 174.600 0.056 0.000 1.333 409 S CA 0.254 58.489 58.200 0.058 0.000 1.048 409 S CB 0.830 64.058 63.200 0.045 0.000 0.900 409 S HN 0.193 8.531 8.310 0.046 0.000 0.505 410 Q N 3.038 122.888 119.800 0.083 0.000 2.170 410 Q HA -0.202 4.239 4.340 0.168 0.000 0.203 410 Q C 1.122 177.225 176.000 0.171 0.000 0.976 410 Q CA 1.080 56.970 55.803 0.145 0.000 0.858 410 Q CB 0.520 29.341 28.738 0.139 0.000 0.907 410 Q HN 0.379 8.695 8.270 0.077 0.000 0.433 411 G N -0.543 108.320 108.800 0.105 0.000 2.782 411 G HA2 -0.249 3.748 3.960 0.061 0.000 0.228 411 G HA3 -0.249 3.763 3.960 0.086 0.000 0.228 411 G C -2.766 172.201 174.900 0.112 0.000 1.372 411 G CA -0.975 44.179 45.100 0.091 0.000 0.862 411 G HN -0.724 7.584 8.290 0.082 0.031 0.547 412 P HA 0.019 4.473 4.420 0.058 0.000 0.275 412 P C -0.429 176.940 177.300 0.115 0.000 1.227 412 P CA -0.405 62.739 63.100 0.074 0.000 0.781 412 P CB 0.554 32.284 31.700 0.050 0.000 0.906 413 G N 1.425 110.261 108.800 0.060 0.000 2.716 413 G HA2 0.101 4.117 3.960 -0.001 0.000 0.251 413 G HA3 0.101 4.120 3.960 -0.050 -0.088 0.251 413 G C -1.304 173.606 174.900 0.016 0.000 1.224 413 G CA -0.187 44.915 45.100 0.004 0.000 0.891 413 G HN 0.226 8.540 8.290 0.039 0.000 0.561 414 V N -5.258 114.630 119.914 -0.043 0.000 2.735 414 V HA 0.384 4.500 4.120 -0.006 0.000 0.310 414 V C -1.623 174.406 176.094 -0.108 0.000 1.061 414 V CA -2.830 59.453 62.300 -0.029 0.000 0.913 414 V CB 3.296 35.145 31.823 0.043 0.000 1.005 414 V HN 0.206 8.316 8.190 -0.133 0.000 0.428 415 D N 4.386 124.730 120.400 -0.094 0.000 2.365 415 D HA 0.097 4.761 4.640 -0.156 -0.118 0.237 415 D C -0.120 176.061 176.300 -0.199 0.000 1.190 415 D CA -0.808 53.111 54.000 -0.135 0.000 0.867 415 D CB -0.309 40.442 40.800 -0.081 0.000 1.050 415 D HN 0.140 8.474 8.370 -0.061 0.000 0.491 416 I N 8.170 128.513 120.570 -0.378 0.000 2.278 416 I HA 0.090 4.076 4.170 -0.307 0.000 0.296 416 I C -0.187 175.698 176.117 -0.386 0.000 1.121 416 I CA -1.481 59.528 61.300 -0.485 0.000 1.267 416 I CB -2.150 35.280 38.000 -0.949 0.000 1.447 416 I HN 0.323 8.259 8.210 -0.457 0.000 0.509 417 S N 7.405 122.995 115.700 -0.185 0.000 2.512 417 S HA 0.207 4.626 4.470 -0.085 0.000 0.216 417 S C 1.132 175.706 174.600 -0.043 0.000 1.006 417 S CA 0.837 58.982 58.200 -0.092 0.000 0.915 417 S CB 0.945 64.111 63.200 -0.057 0.000 0.824 417 S HN 0.236 8.452 8.310 -0.157 0.000 0.497 418 G N 0.774 109.546 108.800 -0.047 0.000 3.863 418 G HA2 0.062 4.027 3.960 0.008 0.000 0.290 418 G HA3 0.062 4.016 3.960 -0.009 0.000 0.290 418 G C -0.863 174.044 174.900 0.013 0.000 1.018 418 G CA -0.316 44.780 45.100 -0.007 0.000 0.824 418 G HN -0.380 7.862 8.290 -0.080 0.000 0.507 419 D N 0.269 120.684 120.400 0.026 0.000 2.357 419 D HA 0.027 4.695 4.640 0.046 0.000 0.242 419 D C -1.160 175.178 176.300 0.064 0.000 1.153 419 D CA 0.338 54.379 54.000 0.068 0.000 0.918 419 D CB 1.480 42.384 40.800 0.174 0.000 1.181 419 D HN -0.450 7.925 8.370 0.008 0.000 0.435 420 V N -4.843 115.093 119.914 0.036 0.000 3.040 420 V HA 0.814 5.080 4.120 0.003 -0.145 0.312 420 V C -2.258 173.814 176.094 -0.037 0.000 1.115 420 V CA -2.917 59.378 62.300 -0.008 0.000 0.998 420 V CB 4.065 35.864 31.823 -0.040 0.000 1.042 420 V HN 0.106 8.316 8.190 0.032 0.000 0.433 421 N N -0.076 118.576 118.700 -0.081 0.000 2.265 421 N HA 0.312 5.013 4.740 -0.065 0.000 0.300 421 N C -1.310 174.083 175.510 -0.194 0.000 1.148 421 N CA -1.453 51.543 53.050 -0.091 0.000 0.772 421 N CB 4.074 42.532 38.487 -0.049 0.000 1.434 421 N HN -0.095 8.229 8.380 -0.092 0.000 0.481 422 L N -0.024 121.072 121.223 -0.213 0.000 2.395 422 L HA 0.165 4.374 4.340 -0.418 -0.120 0.269 422 L C 1.098 177.660 176.870 -0.513 0.000 1.133 422 L CA 0.653 55.249 54.840 -0.408 0.000 0.812 422 L CB 0.768 42.536 42.059 -0.484 0.000 1.125 422 L HN 0.696 8.856 8.230 -0.118 0.000 0.452 423 T N -3.554 110.700 114.554 -0.501 0.000 3.084 423 T HA 0.190 4.303 4.350 -0.396 0.000 0.270 423 T C -0.353 174.076 174.700 -0.452 0.000 1.008 423 T CA -0.449 61.403 62.100 -0.415 0.000 0.900 423 T CB 0.571 69.293 68.868 -0.242 0.000 1.084 423 T HN 0.545 8.403 8.240 -0.469 0.101 0.538 424 D N 0.894 120.919 120.400 -0.625 0.000 2.966 424 D HA 0.068 4.490 4.640 -0.362 0.000 0.222 424 D C -1.503 174.456 176.300 -0.567 0.000 1.292 424 D CA -0.543 53.188 54.000 -0.449 0.000 0.907 424 D CB 2.496 43.162 40.800 -0.224 0.000 1.621 424 D HN -0.682 7.261 8.370 -0.712 0.000 0.557 425 F N 3.301 123.239 119.950 -0.020 0.000 2.695 425 F HA 0.094 4.617 4.527 -0.007 0.000 0.303 425 F C 0.480 176.290 175.800 0.016 0.000 1.091 425 F CA 0.058 58.056 58.000 -0.004 0.000 1.300 425 F CB 0.915 39.913 39.000 -0.004 0.000 1.071 425 F HN 0.236 8.478 8.300 -0.098 0.000 0.578 426 D N 1.314 121.790 120.400 0.126 0.000 2.297 426 D HA -0.066 4.640 4.640 0.110 0.000 0.233 426 D C -0.652 175.683 176.300 0.058 0.000 1.056 426 D CA 1.145 55.199 54.000 0.090 0.000 0.938 426 D CB 0.811 41.650 40.800 0.065 0.000 1.048 426 D HN -0.283 8.332 8.370 0.077 -0.199 0.442 427 K N 0.376 120.791 120.400 0.024 0.000 2.316 427 K HA 0.007 4.343 4.320 0.028 0.000 0.289 427 K C -0.587 176.011 176.600 -0.004 0.000 1.070 427 K CA -0.355 55.941 56.287 0.015 0.000 0.928 427 K CB 0.205 32.708 32.500 0.005 0.000 1.039 427 K HN -0.448 7.919 8.250 0.014 -0.109 0.480 428 I N 4.833 125.421 120.570 0.030 0.000 2.396 428 I HA 0.040 4.187 4.170 -0.039 0.000 0.292 428 I C 0.585 176.714 176.117 0.020 0.000 0.999 428 I CA -0.899 60.416 61.300 0.025 0.000 1.310 428 I CB -0.203 37.879 38.000 0.136 0.000 1.404 428 I HN 0.174 8.415 8.210 0.052 0.000 0.496 429 G N 4.706 113.460 108.800 -0.077 0.000 2.371 429 G HA2 -0.202 3.662 3.960 -0.159 0.000 0.663 429 G HA3 -0.202 3.779 3.960 0.036 0.000 0.663 429 G C -1.700 173.105 174.900 -0.160 0.000 1.311 429 G CA -0.673 44.374 45.100 -0.089 0.000 0.985 429 G HN -0.169 8.031 8.290 -0.150 0.000 0.566 430 W N -0.076 121.213 121.300 -0.018 0.000 2.343 430 W HA -0.065 4.622 4.660 -0.037 -0.050 0.337 430 W C -0.479 176.034 176.519 -0.010 0.000 1.320 430 W CA -0.349 56.981 57.345 -0.025 0.000 1.290 430 W CB -0.238 29.204 29.460 -0.029 0.000 1.206 430 W HN 0.396 8.586 8.180 0.017 0.000 0.565 431 P HA -0.024 4.720 4.420 0.540 0.000 0.255 431 P C -1.068 176.239 177.300 0.011 0.000 1.248 431 P CA 0.619 63.872 63.100 0.255 0.000 0.807 431 P CB 0.580 32.380 31.700 0.165 0.000 1.150 432 N N 2.314 120.921 118.700 -0.155 0.000 3.303 432 N HA 0.169 4.791 4.740 -0.196 0.000 0.304 432 N C -1.816 173.420 175.510 -0.456 0.000 1.302 432 N CA 0.292 53.191 53.050 -0.253 0.000 1.213 432 N CB -0.354 38.010 38.487 -0.206 0.000 1.481 432 N HN -0.253 7.984 8.380 -0.123 0.069 0.546 433 V N -0.158 119.367 119.914 -0.648 0.000 2.841 433 V HA 0.508 4.408 4.120 -0.627 -0.156 0.310 433 V C -1.501 174.266 176.094 -0.544 0.000 1.090 433 V CA -1.587 60.200 62.300 -0.854 0.000 0.930 433 V CB 4.020 34.761 31.823 -1.804 0.000 1.014 433 V HN -0.496 7.276 8.190 -0.562 0.080 0.425 434 E N 3.777 123.792 120.200 -0.308 0.000 2.317 434 E HA 0.382 4.700 4.350 -0.052 0.000 0.270 434 E C -1.717 174.858 176.600 -0.041 0.000 0.885 434 E CA -2.604 53.730 56.400 -0.111 0.000 0.760 434 E CB 3.706 33.357 29.700 -0.082 0.000 1.227 434 E HN 0.644 8.818 8.360 -0.311 0.000 0.434 435 A N 2.773 125.617 122.820 0.040 0.000 2.407 435 A HA 0.147 4.505 4.320 0.063 0.000 0.248 435 A C -0.227 177.382 177.584 0.041 0.000 1.082 435 A CA -0.297 51.775 52.037 0.058 0.000 0.785 435 A CB 0.686 19.733 19.000 0.077 0.000 1.020 435 A HN 0.324 8.513 8.150 0.064 0.000 0.489 436 V N 3.701 123.652 119.914 0.061 0.000 2.394 436 V HA 0.057 4.209 4.120 0.054 0.000 0.282 436 V C -0.560 175.600 176.094 0.111 0.000 1.031 436 V CA -0.609 61.742 62.300 0.085 0.000 0.881 436 V CB 1.237 33.140 31.823 0.133 0.000 0.982 436 V HN -0.250 7.981 8.190 0.068 0.000 0.451 437 Q N 6.301 126.157 119.800 0.093 0.000 2.428 437 Q HA -0.147 4.236 4.340 0.071 0.000 0.276 437 Q C -0.250 175.845 176.000 0.158 0.000 1.059 437 Q CA 0.627 56.486 55.803 0.093 0.000 0.923 437 Q CB 0.611 29.388 28.738 0.065 0.000 1.283 437 Q HN 0.243 8.554 8.270 0.069 0.000 0.447 438 S N 2.596 118.351 115.700 0.092 0.000 2.558 438 S HA 0.002 4.701 4.470 -0.000 -0.229 0.293 438 S C -0.546 174.140 174.600 0.143 0.000 1.292 438 S CA 1.687 59.918 58.200 0.053 0.000 1.063 438 S CB 0.266 63.466 63.200 -0.001 0.000 0.831 438 S HN 0.074 8.421 8.310 0.062 0.000 0.499 439 Y N 1.192 121.477 120.300 -0.025 0.000 2.597 439 Y HA 0.287 4.818 4.550 -0.032 0.000 0.340 439 Y C -2.488 173.383 175.900 -0.048 0.000 1.097 439 Y CA -2.551 55.527 58.100 -0.035 0.000 1.037 439 Y CB 1.748 40.184 38.460 -0.039 0.000 1.305 439 Y HN 0.262 8.404 8.280 -0.230 0.000 0.463 440 Q N 2.039 121.891 119.800 0.085 0.000 2.279 440 Q HA 0.288 4.727 4.340 -0.102 -0.161 0.256 440 Q C -0.146 175.856 176.000 0.003 0.000 0.937 440 Q CA -0.310 55.479 55.803 -0.024 0.000 0.933 440 Q CB 1.122 29.852 28.738 -0.014 0.000 1.189 440 Q HN 0.297 8.651 8.270 0.140 0.000 0.417 441 R N 7.933 128.343 120.500 -0.151 0.000 2.255 441 R HA 0.277 4.545 4.340 -0.119 0.000 0.326 441 R C -1.471 174.563 176.300 -0.443 0.000 0.986 441 R CA -0.778 55.174 56.100 -0.247 0.000 0.847 441 R CB 1.771 31.869 30.300 -0.338 0.000 1.111 441 R HN 0.590 8.735 8.270 -0.208 0.000 0.452 442 E N 6.208 126.186 120.200 -0.370 0.000 2.191 442 E HA 0.223 4.340 4.350 -0.389 0.000 0.274 442 E C -0.539 175.784 176.600 -0.461 0.000 0.948 442 E CA -1.434 54.753 56.400 -0.355 0.000 0.802 442 E CB 2.307 31.927 29.700 -0.134 0.000 1.137 442 E HN 0.451 8.660 8.360 -0.251 0.000 0.397 443 F N 4.976 124.926 119.950 -0.000 0.000 2.669 443 F HA 0.086 4.607 4.527 -0.010 0.000 0.353 443 F C 0.084 175.878 175.800 -0.009 0.000 1.192 443 F CA -0.860 57.135 58.000 -0.008 0.000 1.317 443 F CB -2.187 36.806 39.000 -0.013 0.000 1.652 443 F HN 0.400 8.635 8.300 -0.108 0.000 0.608 444 N N 1.745 120.475 118.700 0.049 0.000 2.223 444 N HA -0.257 4.506 4.740 0.038 0.000 0.185 444 N C 0.092 175.630 175.510 0.046 0.000 1.016 444 N CA 1.674 54.745 53.050 0.036 0.000 0.863 444 N CB 0.831 39.319 38.487 0.001 0.000 0.983 444 N HN -0.154 8.211 8.380 -0.016 0.006 0.429 445 A N -3.623 119.231 122.820 0.057 0.000 2.588 445 A HA 0.305 4.651 4.320 0.043 0.000 0.290 445 A C -1.393 176.214 177.584 0.039 0.000 1.136 445 A CA -0.827 51.237 52.037 0.044 0.000 0.681 445 A CB 1.697 20.717 19.000 0.033 0.000 1.282 445 A HN -0.506 7.886 8.150 0.065 -0.203 0.421 446 V N 1.203 121.127 119.914 0.017 0.000 2.392 446 V HA -0.439 3.674 4.120 -0.013 0.000 0.249 446 V C 1.612 177.561 176.094 -0.242 0.000 1.059 446 V CA 3.124 65.396 62.300 -0.045 0.000 1.051 446 V CB -0.243 31.596 31.823 0.027 0.000 0.658 446 V HN 0.485 8.698 8.190 0.038 0.000 0.455 447 S N -0.997 114.504 115.700 -0.332 0.000 2.387 447 S HA -0.394 3.324 4.470 -1.253 0.000 0.230 447 S C 1.841 176.335 174.600 -0.177 0.000 1.035 447 S CA 3.077 60.955 58.200 -0.536 0.000 1.014 447 S CB -0.563 62.528 63.200 -0.183 0.000 0.836 447 S HN 0.200 8.402 8.310 -0.155 0.015 0.466 448 N N 2.193 120.879 118.700 -0.023 0.000 2.188 448 N HA -0.204 4.564 4.740 0.047 0.000 0.184 448 N C 2.196 177.860 175.510 0.257 0.000 1.018 448 N CA 3.327 56.427 53.050 0.083 0.000 0.858 448 N CB -0.067 38.448 38.487 0.047 0.000 0.989 448 N HN -0.727 7.628 8.380 -0.020 0.013 0.426 449 I N 0.551 121.266 120.570 0.242 0.000 2.179 449 I HA -0.592 3.689 4.170 0.185 0.000 0.242 449 I C 1.215 177.352 176.117 0.034 0.000 1.088 449 I CA 3.861 65.235 61.300 0.124 0.000 1.357 449 I CB -0.192 37.794 38.000 -0.025 0.000 1.051 449 I HN -0.877 7.438 8.210 0.174 0.000 0.409 450 F N 0.572 120.415 119.950 -0.179 0.000 2.126 450 F HA -0.574 3.850 4.527 -0.170 0.000 0.299 450 F C 1.172 176.938 175.800 -0.057 0.000 1.096 450 F CA 4.388 62.275 58.000 -0.187 0.000 1.255 450 F CB 0.173 38.925 39.000 -0.412 0.000 0.997 450 F HN -0.137 8.177 8.300 0.023 0.000 0.479 451 D N -2.841 117.660 120.400 0.169 0.000 2.219 451 D HA -0.215 4.524 4.640 0.165 0.000 0.205 451 D C 2.037 178.378 176.300 0.068 0.000 0.970 451 D CA 3.147 57.227 54.000 0.134 0.000 0.851 451 D CB -0.791 40.087 40.800 0.131 0.000 0.943 451 D HN -0.381 8.081 8.370 0.169 0.009 0.488 452 T N -0.170 114.434 114.554 0.084 0.000 2.985 452 T HA -0.218 4.180 4.350 0.080 0.000 0.266 452 T C 0.904 175.573 174.700 -0.051 0.000 1.076 452 T CA 3.042 65.185 62.100 0.072 0.000 1.135 452 T CB 0.142 69.142 68.868 0.220 0.000 0.890 452 T HN -0.909 7.289 8.240 0.124 0.116 0.480 453 I N -0.579 119.880 120.570 -0.185 0.000 2.400 453 I HA -0.194 3.830 4.170 -0.244 0.000 0.248 453 I C 0.375 176.312 176.117 -0.300 0.000 1.109 453 I CA 1.974 63.065 61.300 -0.349 0.000 1.425 453 I CB 0.849 38.482 38.000 -0.612 0.000 1.094 453 I HN -0.592 7.407 8.210 -0.198 0.092 0.425 454 Y N -2.447 117.687 120.300 -0.278 0.000 2.638 454 Y HA 0.581 5.074 4.550 -0.094 0.000 0.367 454 Y C -2.398 173.422 175.900 -0.134 0.000 1.001 454 Y CA -4.305 53.671 58.100 -0.208 0.000 1.133 454 Y CB -0.632 37.626 38.460 -0.337 0.000 1.199 454 Y HN -0.138 7.933 8.280 -0.348 0.000 0.642 455 P HA 0.032 4.553 4.420 0.039 -0.078 0.271 455 P C 0.042 177.329 177.300 -0.022 0.000 1.233 455 P CA -0.952 62.166 63.100 0.030 0.000 0.789 455 P CB 0.870 32.589 31.700 0.031 0.000 0.951 456 I N -0.960 119.587 120.570 -0.039 0.000 2.826 456 I HA -0.636 3.447 4.170 -0.145 0.000 0.295 456 I C 1.249 177.316 176.117 -0.084 0.000 1.213 456 I CA 2.239 63.487 61.300 -0.086 0.000 1.436 456 I CB -0.657 37.310 38.000 -0.056 0.000 1.348 456 I HN 0.439 8.643 8.210 -0.010 0.000 0.570 457 G N 6.275 115.002 108.800 -0.122 0.000 2.213 457 G HA2 -0.317 3.550 3.960 -0.156 0.000 0.236 457 G HA3 -0.317 3.580 3.960 -0.107 0.000 0.236 457 G C -0.026 174.805 174.900 -0.115 0.000 0.991 457 G CA -0.554 44.469 45.100 -0.127 0.000 0.629 457 G HN 0.623 8.820 8.290 -0.154 0.000 0.517 458 T N 3.890 118.408 114.554 -0.061 0.000 2.934 458 T HA -0.182 4.189 4.350 0.036 0.000 0.306 458 T C -0.764 173.975 174.700 0.064 0.000 1.042 458 T CA 1.912 64.029 62.100 0.030 0.000 1.145 458 T CB 0.858 69.798 68.868 0.120 0.000 0.982 458 T HN -0.442 7.679 8.240 -0.076 0.073 0.544 459 I N 4.637 125.249 120.570 0.070 0.000 2.342 459 I HA 0.290 4.752 4.170 0.143 -0.206 0.291 459 I C -0.487 175.763 176.117 0.222 0.000 1.010 459 I CA -0.572 60.800 61.300 0.119 0.000 1.308 459 I CB 0.854 38.876 38.000 0.036 0.000 1.400 459 I HN 0.050 8.294 8.210 0.057 0.000 0.488 460 Y N 9.363 129.764 120.300 0.168 0.000 2.409 460 Y HA 0.314 4.880 4.550 0.027 0.000 0.343 460 Y C -2.516 173.497 175.900 0.187 0.000 0.973 460 Y CA -1.479 56.658 58.100 0.061 0.000 1.064 460 Y CB 3.945 42.256 38.460 -0.248 0.000 1.207 460 Y HN 0.628 9.173 8.280 0.441 0.000 0.452 461 E N 6.330 126.107 120.200 -0.706 0.000 2.272 461 E HA 0.700 5.188 4.350 -0.114 -0.206 0.269 461 E C -1.805 174.461 176.600 -0.557 0.000 0.877 461 E CA -1.695 54.478 56.400 -0.379 0.000 0.755 461 E CB 3.776 33.398 29.700 -0.129 0.000 1.192 461 E HN 0.106 7.939 8.360 -0.878 0.000 0.422 462 N N 3.692 122.328 118.700 -0.106 0.000 2.295 462 N HA 0.215 4.936 4.740 -0.032 0.000 0.293 462 N C -0.600 175.024 175.510 0.189 0.000 1.040 462 N CA -0.876 52.210 53.050 0.061 0.000 0.840 462 N CB 2.912 41.559 38.487 0.268 0.000 1.468 462 N HN 0.244 8.677 8.380 0.089 0.000 0.478 463 A N 4.617 127.506 122.820 0.115 0.000 1.969 463 A HA -0.111 4.244 4.320 0.058 0.000 0.218 463 A C 0.503 178.203 177.584 0.193 0.000 1.169 463 A CA 2.712 54.809 52.037 0.100 0.000 0.635 463 A CB 0.239 19.268 19.000 0.048 0.000 0.810 463 A HN 0.784 8.979 8.150 0.075 0.000 0.445 464 V N -8.975 111.085 119.914 0.243 0.000 3.480 464 V HA 0.214 4.522 4.120 0.314 0.000 0.263 464 V C -0.700 175.508 176.094 0.189 0.000 1.442 464 V CA -0.681 61.763 62.300 0.240 0.000 1.053 464 V CB 1.407 33.286 31.823 0.095 0.000 0.846 464 V HN -0.429 8.120 8.190 0.197 -0.241 0.440 465 N N 3.773 122.488 118.700 0.026 0.000 2.411 465 N HA 0.320 4.923 4.740 -0.227 0.000 0.259 465 N C -1.025 174.197 175.510 -0.481 0.000 1.103 465 N CA -2.521 50.384 53.050 -0.243 0.000 0.954 465 N CB 1.436 39.602 38.487 -0.535 0.000 1.085 465 N HN -0.360 8.415 8.380 0.090 -0.341 0.485 466 P HA 0.121 3.257 4.420 -2.141 0.000 0.245 466 P C -0.646 176.520 177.300 -0.225 0.000 1.206 466 P CA 0.126 62.679 63.100 -0.912 0.000 0.781 466 P CB 0.574 32.026 31.700 -0.414 0.000 0.994 467 N N 0.932 119.592 118.700 -0.067 0.000 2.408 467 N HA -0.074 4.697 4.740 0.051 0.000 0.260 467 N C -1.041 174.457 175.510 -0.019 0.000 1.242 467 N CA -0.138 52.940 53.050 0.047 0.000 0.959 467 N CB 0.785 39.306 38.487 0.056 0.000 1.201 467 N HN -0.229 8.326 8.380 -0.129 -0.252 0.511 468 N N -0.093 118.496 118.700 -0.184 0.000 2.454 468 N HA -0.074 3.866 4.740 -1.334 0.000 0.260 468 N C -0.420 174.563 175.510 -0.878 0.000 1.218 468 N CA -0.857 51.788 53.050 -0.676 0.000 0.904 468 N CB 0.800 39.107 38.487 -0.301 0.000 1.065 468 N HN 0.201 8.541 8.380 -0.066 0.000 0.462 469 P HA -0.215 2.659 4.420 -2.577 0.000 0.218 469 P C 0.701 177.253 177.300 -1.248 0.000 1.146 469 P CA 2.237 64.213 63.100 -1.873 0.000 0.813 469 P CB 0.316 30.571 31.700 -2.408 0.000 0.778 470 V N -3.066 116.452 119.914 -0.660 0.000 2.469 470 V HA -0.379 3.573 4.120 -0.280 0.000 0.251 470 V C 1.699 177.581 176.094 -0.354 0.000 1.064 470 V CA 2.747 64.851 62.300 -0.326 0.000 1.066 470 V CB -0.105 31.655 31.823 -0.105 0.000 0.667 470 V HN -0.350 7.758 8.190 -0.569 -0.259 0.461 471 T N -0.522 113.829 114.554 -0.339 0.000 3.035 471 T HA -0.202 4.052 4.350 -0.161 0.000 0.268 471 T C 0.683 175.330 174.700 -0.088 0.000 1.109 471 T CA 2.651 64.646 62.100 -0.175 0.000 1.119 471 T CB 0.093 68.913 68.868 -0.080 0.000 0.900 471 T HN -0.119 7.849 8.240 -0.398 0.033 0.503 472 Y N -4.300 115.871 120.300 -0.215 0.000 2.563 472 Y HA 0.393 4.862 4.550 -0.134 0.000 0.250 472 Y C -0.488 175.328 175.900 -0.141 0.000 1.126 472 Y CA -0.856 57.146 58.100 -0.164 0.000 1.231 472 Y CB 0.995 39.368 38.460 -0.145 0.000 1.288 472 Y HN -0.314 7.460 8.280 -0.588 0.153 0.537 473 M N -0.885 118.519 119.600 -0.328 0.000 2.730 473 M HA 0.162 4.642 4.480 0.000 0.000 0.258 473 M C 0.987 177.175 176.300 -0.188 0.000 1.279 473 M CA 1.614 56.826 55.300 -0.147 0.000 1.183 473 M CB 2.067 34.594 32.600 -0.121 0.000 1.291 473 M HN 0.132 8.111 8.290 -0.518 0.000 0.518 474 G N -0.803 107.767 108.800 -0.383 0.000 2.213 474 G HA2 -0.323 3.344 3.960 -0.557 0.000 0.226 474 G HA3 -0.323 3.130 3.960 -0.846 0.000 0.226 474 G C -0.815 173.457 174.900 -1.046 0.000 0.992 474 G CA 0.144 44.823 45.100 -0.703 0.000 0.632 474 G HN -0.232 7.737 8.290 -0.363 0.104 0.511 475 F N -0.052 119.604 119.950 -0.490 0.000 2.626 475 F HA 0.162 4.446 4.527 -0.405 0.000 0.311 475 F C -1.039 174.611 175.800 -0.250 0.000 1.088 475 F CA -1.061 56.563 58.000 -0.627 0.000 0.949 475 F CB 2.977 41.106 39.000 -1.451 0.000 1.322 475 F HN -0.764 7.217 8.300 -0.440 0.055 0.461 476 G N -0.150 108.681 108.800 0.052 0.000 2.730 476 G HA2 -0.389 3.535 3.960 -0.060 0.000 0.686 476 G HA3 -0.389 3.597 3.960 0.043 0.000 0.686 476 G C -1.762 173.071 174.900 -0.112 0.000 1.343 476 G CA -0.465 44.631 45.100 -0.007 0.000 0.826 476 G HN -0.224 8.083 8.290 0.029 0.000 0.582 477 S N -0.476 115.014 115.700 -0.350 0.000 2.454 477 S HA 0.342 4.777 4.470 -0.057 0.000 0.306 477 S C -1.316 173.056 174.600 -0.380 0.000 1.100 477 S CA -1.978 56.084 58.200 -0.229 0.000 1.087 477 S CB 1.451 64.534 63.200 -0.195 0.000 1.019 477 S HN 0.016 8.076 8.310 -0.416 0.000 0.480 478 W N 3.081 124.381 121.300 0.001 0.000 2.936 478 W HA 0.786 5.727 4.660 0.141 -0.196 0.338 478 W C -1.237 175.462 176.519 0.301 0.000 1.121 478 W CA -1.443 55.966 57.345 0.107 0.000 1.209 478 W CB 3.934 33.341 29.460 -0.088 0.000 1.420 478 W HN -0.189 8.119 8.180 0.214 0.000 0.516 479 K N 1.074 121.898 120.400 0.707 0.000 2.469 479 K HA 0.416 5.103 4.320 0.612 0.000 0.254 479 K C -1.748 175.167 176.600 0.525 0.000 0.939 479 K CA -1.778 54.861 56.287 0.587 0.000 0.812 479 K CB 3.640 36.347 32.500 0.345 0.000 1.301 479 K HN 0.566 9.235 8.250 0.698 0.000 0.433 480 L N 2.482 123.757 121.223 0.087 0.000 2.514 480 L HA 0.021 4.142 4.340 -0.635 -0.163 0.280 480 L C -0.503 176.400 176.870 0.055 0.000 1.223 480 L CA 1.152 55.816 54.840 -0.294 0.000 0.864 480 L CB 0.330 42.142 42.059 -0.413 0.000 1.118 480 L HN 0.226 8.516 8.230 0.101 0.000 0.494 481 F N 3.509 123.396 119.950 -0.104 0.000 2.569 481 F HA 0.179 4.710 4.527 0.006 0.000 0.312 481 F C -0.403 175.377 175.800 -0.034 0.000 1.109 481 F CA -0.446 57.548 58.000 -0.010 0.000 0.919 481 F CB 3.668 42.714 39.000 0.075 0.000 1.211 481 F HN 0.209 8.514 8.300 0.008 0.000 0.446 482 G N 5.214 113.510 108.800 -0.839 0.000 2.273 482 G HA2 -0.472 3.111 3.960 -0.628 0.000 0.280 482 G HA3 -0.472 3.164 3.960 -0.541 0.000 0.280 482 G C -0.996 173.742 174.900 -0.270 0.000 1.047 482 G CA 0.082 44.830 45.100 -0.588 0.000 0.869 482 G HN 0.336 8.016 8.290 -1.016 0.000 0.502 483 Q N -1.585 118.078 119.800 -0.228 0.000 2.274 483 Q HA -0.187 4.059 4.340 -0.157 0.000 0.280 483 Q C 0.781 176.691 176.000 -0.149 0.000 1.047 483 Q CA 1.580 57.285 55.803 -0.164 0.000 0.907 483 Q CB -0.004 28.651 28.738 -0.138 0.000 1.171 483 Q HN -0.316 7.804 8.270 -0.249 0.000 0.381 484 G N 2.141 110.855 108.800 -0.143 0.000 2.162 484 G HA2 -0.378 3.484 3.960 -0.163 0.000 0.260 484 G HA3 -0.378 3.503 3.960 -0.131 0.000 0.260 484 G C -0.535 174.279 174.900 -0.143 0.000 0.976 484 G CA 0.291 45.304 45.100 -0.146 0.000 0.655 484 G HN 0.530 8.733 8.290 -0.145 0.000 0.533 485 K N -0.249 120.071 120.400 -0.133 0.000 2.267 485 K HA 0.432 4.697 4.320 -0.092 0.000 0.246 485 K C -0.779 175.774 176.600 -0.078 0.000 0.954 485 K CA -1.364 54.861 56.287 -0.103 0.000 0.824 485 K CB 2.225 34.657 32.500 -0.113 0.000 1.167 485 K HN -0.395 7.715 8.250 -0.140 0.056 0.431 486 V N 1.928 121.812 119.914 -0.050 0.000 2.785 486 V HA 0.076 4.184 4.120 -0.019 0.000 0.300 486 V C -0.857 175.237 176.094 -0.000 0.000 1.062 486 V CA -0.951 61.336 62.300 -0.022 0.000 1.029 486 V CB 1.328 33.139 31.823 -0.020 0.000 1.024 486 V HN 0.275 8.437 8.190 -0.048 0.000 0.477 487 L N 5.231 126.466 121.223 0.020 0.000 2.292 487 L HA 0.137 4.519 4.340 0.070 0.000 0.284 487 L C -0.420 176.437 176.870 -0.023 0.000 1.065 487 L CA -0.635 54.233 54.840 0.046 0.000 0.806 487 L CB 0.083 42.199 42.059 0.094 0.000 1.175 487 L HN 0.033 8.274 8.230 0.020 0.000 0.431 488 V N 2.925 122.804 119.914 -0.059 0.000 2.513 488 V HA 0.136 4.117 4.120 -0.232 0.000 0.299 488 V C 0.312 176.347 176.094 -0.099 0.000 1.035 488 V CA -0.843 61.320 62.300 -0.228 0.000 0.889 488 V CB 1.951 33.390 31.823 -0.641 0.000 0.988 488 V HN 0.215 8.403 8.190 -0.003 0.000 0.440 489 G N 4.149 112.889 108.800 -0.100 0.000 2.343 489 G HA2 -0.130 3.886 3.960 0.095 0.000 0.254 489 G HA3 -0.130 3.843 3.960 0.022 0.000 0.254 489 G C -0.930 174.034 174.900 0.106 0.000 1.277 489 G CA -0.399 44.721 45.100 0.034 0.000 0.909 489 G HN -0.023 8.175 8.290 -0.154 0.000 0.502 490 W N 7.349 128.666 121.300 0.027 0.000 2.231 490 W HA -0.224 4.677 4.660 0.120 -0.169 0.341 490 W C -0.978 175.588 176.519 0.078 0.000 1.298 490 W CA 0.264 57.654 57.345 0.074 0.000 1.266 490 W CB 0.809 30.300 29.460 0.051 0.000 1.172 490 W HN 0.023 8.431 8.180 0.379 0.000 0.568 491 N N 6.781 125.086 118.700 -0.659 0.000 2.424 491 N HA 0.076 4.574 4.740 -0.404 0.000 0.271 491 N C -0.095 174.723 175.510 -1.153 0.000 0.985 491 N CA -0.974 51.700 53.050 -0.626 0.000 0.921 491 N CB 1.947 40.286 38.487 -0.246 0.000 1.149 491 N HN -0.160 7.804 8.380 -0.693 0.000 0.492 492 E N 4.608 124.293 120.200 -0.858 0.000 2.338 492 E HA -0.253 3.513 4.350 -0.975 0.000 0.197 492 E C -0.779 175.733 176.600 -0.147 0.000 1.007 492 E CA 1.265 57.325 56.400 -0.568 0.000 0.849 492 E CB 0.269 29.864 29.700 -0.174 0.000 0.774 492 E HN 0.559 8.582 8.360 -0.561 0.000 0.506 493 D N -0.100 120.188 120.400 -0.187 0.000 2.352 493 D HA 0.020 4.592 4.640 -0.114 0.000 0.245 493 D C 1.349 177.526 176.300 -0.205 0.000 1.224 493 D CA -1.170 52.745 54.000 -0.143 0.000 0.879 493 D CB -0.056 40.681 40.800 -0.105 0.000 1.057 493 D HN -0.540 7.961 8.370 -0.228 -0.267 0.491 494 I N 1.276 121.668 120.570 -0.296 0.000 2.850 494 I HA -0.177 3.673 4.170 -0.533 0.000 0.266 494 I C 0.021 176.005 176.117 -0.222 0.000 1.257 494 I CA 1.554 62.611 61.300 -0.404 0.000 1.465 494 I CB -0.500 37.229 38.000 -0.452 0.000 1.091 494 I HN -0.008 8.047 8.210 -0.258 0.000 0.467 495 S N -1.699 113.907 115.700 -0.155 0.000 2.561 495 S HA -0.047 4.359 4.470 -0.106 0.000 0.225 495 S C -0.009 174.533 174.600 -0.097 0.000 0.977 495 S CA 1.523 59.658 58.200 -0.109 0.000 0.926 495 S CB 0.197 63.347 63.200 -0.083 0.000 0.769 495 S HN -0.419 8.013 8.310 -0.150 -0.212 0.533 496 D N 2.811 123.150 120.400 -0.102 0.000 2.434 496 D HA 0.081 4.681 4.640 -0.067 0.000 0.252 496 D C -0.282 175.950 176.300 -0.114 0.000 1.185 496 D CA -1.520 52.430 54.000 -0.082 0.000 0.886 496 D CB 1.258 42.031 40.800 -0.046 0.000 1.148 496 D HN -0.650 7.598 8.370 -0.120 0.051 0.483 497 P HA 0.146 4.494 4.420 -0.120 0.000 0.241 497 P C -0.712 176.450 177.300 -0.231 0.000 1.191 497 P CA 0.601 63.610 63.100 -0.151 0.000 0.771 497 P CB 0.738 32.362 31.700 -0.127 0.000 0.929 498 N N -2.118 116.342 118.700 -0.400 0.000 2.503 498 N HA 0.106 4.566 4.740 -0.467 0.000 0.210 498 N C -0.826 174.362 175.510 -0.537 0.000 1.077 498 N CA 1.511 54.137 53.050 -0.707 0.000 0.855 498 N CB 2.798 40.351 38.487 -1.556 0.000 1.323 498 N HN -0.032 8.363 8.380 -0.375 -0.240 0.452 499 F N -3.003 116.952 119.950 0.009 0.000 2.724 499 F HA 0.270 4.843 4.527 0.078 0.000 0.310 499 F C -0.690 175.102 175.800 -0.014 0.000 1.107 499 F CA -1.677 56.340 58.000 0.029 0.000 1.218 499 F CB 0.407 39.414 39.000 0.012 0.000 1.042 499 F HN -0.439 8.011 8.300 -0.196 -0.268 0.540 500 A N 0.152 123.024 122.820 0.088 0.000 1.963 500 A HA 0.292 4.605 4.320 -0.195 -0.110 0.207 500 A C -1.672 176.115 177.584 0.339 0.000 1.243 500 A CA 0.565 52.630 52.037 0.047 0.000 0.728 500 A CB 1.774 20.729 19.000 -0.076 0.000 0.895 500 A HN -0.478 7.700 8.150 0.046 0.000 0.467 501 L N -3.956 117.388 121.223 0.201 0.000 2.307 501 L HA 0.441 5.111 4.340 0.273 -0.166 0.284 501 L C -0.961 176.014 176.870 0.175 0.000 1.023 501 L CA -1.452 53.503 54.840 0.192 0.000 0.810 501 L CB 1.628 43.730 42.059 0.073 0.000 1.231 501 L HN -0.542 7.758 8.230 0.115 0.000 0.423 502 N N 2.855 121.662 118.700 0.178 0.000 2.469 502 N HA 0.096 4.939 4.740 0.172 0.000 0.239 502 N C 0.363 175.938 175.510 0.108 0.000 1.053 502 N CA -1.689 51.454 53.050 0.156 0.000 0.937 502 N CB 0.540 39.122 38.487 0.158 0.000 1.163 502 N HN 0.358 8.846 8.380 0.180 0.000 0.509 503 N N 6.793 125.547 118.700 0.090 0.000 2.443 503 N HA -0.231 4.541 4.740 0.053 0.000 0.184 503 N C 0.073 175.621 175.510 0.063 0.000 1.037 503 N CA 2.328 55.415 53.050 0.062 0.000 0.896 503 N CB -0.413 38.101 38.487 0.045 0.000 0.959 503 N HN 0.159 8.596 8.380 0.096 0.000 0.442 504 N N -1.263 117.486 118.700 0.081 0.000 2.336 504 N HA 0.043 4.820 4.740 0.061 0.000 0.189 504 N C -0.977 174.587 175.510 0.089 0.000 1.113 504 N CA 0.865 53.962 53.050 0.078 0.000 0.858 504 N CB 0.687 39.225 38.487 0.084 0.000 0.970 504 N HN -0.317 8.333 8.380 0.096 -0.212 0.471 505 D N 0.241 120.699 120.400 0.097 0.000 2.429 505 D HA 0.156 4.855 4.640 0.099 0.000 0.255 505 D C -2.404 173.944 176.300 0.079 0.000 1.257 505 D CA -0.495 53.568 54.000 0.105 0.000 0.890 505 D CB 0.558 41.451 40.800 0.155 0.000 1.267 505 D HN -0.476 7.879 8.370 0.093 0.071 0.521 506 L N 1.739 122.999 121.223 0.062 0.000 2.334 506 L HA 0.383 4.934 4.340 0.046 -0.183 0.275 506 L C 0.236 177.131 176.870 0.042 0.000 1.036 506 L CA -1.160 53.708 54.840 0.047 0.000 0.807 506 L CB 1.927 44.008 42.059 0.036 0.000 1.231 506 L HN -0.126 8.140 8.230 0.060 0.000 0.438 507 D N 1.728 122.149 120.400 0.035 0.000 2.440 507 D HA 0.095 4.755 4.640 0.034 0.000 0.269 507 D C 1.268 177.582 176.300 0.024 0.000 1.249 507 D CA -1.237 52.781 54.000 0.030 0.000 1.055 507 D CB 0.581 41.396 40.800 0.025 0.000 1.104 507 D HN 0.117 8.506 8.370 0.033 0.000 0.561 508 S N -1.640 114.072 115.700 0.020 0.000 2.447 508 S HA -0.154 4.327 4.470 0.018 0.000 0.233 508 S C 0.939 175.547 174.600 0.014 0.000 1.006 508 S CA 2.287 60.498 58.200 0.017 0.000 0.957 508 S CB -0.332 62.877 63.200 0.015 0.000 0.773 508 S HN 0.199 8.522 8.310 0.021 0.000 0.507 509 G N -0.455 108.352 108.800 0.013 0.000 3.141 509 G HA2 0.041 4.006 3.960 0.009 0.000 0.218 509 G HA3 0.041 4.006 3.960 0.008 0.000 0.218 509 G C -0.130 174.776 174.900 0.010 0.000 1.170 509 G CA -0.587 44.519 45.100 0.010 0.000 0.769 509 G HN -0.517 7.955 8.290 0.014 -0.174 0.546 510 G N 0.246 109.054 108.800 0.014 0.000 2.136 510 G HA2 -0.400 3.571 3.960 0.018 0.000 0.242 510 G HA3 -0.400 3.567 3.960 0.012 0.000 0.242 510 G C -0.657 174.252 174.900 0.016 0.000 0.989 510 G CA -0.254 44.854 45.100 0.015 0.000 0.682 510 G HN -0.288 7.870 8.290 0.016 0.142 0.522 511 N N 0.557 119.267 118.700 0.017 0.000 2.455 511 N HA 0.395 5.142 4.740 0.013 0.000 0.280 511 N C -2.102 173.424 175.510 0.027 0.000 1.055 511 N CA -1.648 51.412 53.050 0.016 0.000 0.961 511 N CB 0.954 39.448 38.487 0.011 0.000 1.121 511 N HN -0.384 8.261 8.380 0.017 -0.255 0.476 512 P HA 0.280 4.896 4.420 0.055 -0.163 0.278 512 P C -0.302 177.035 177.300 0.061 0.000 1.238 512 P CA -0.918 62.213 63.100 0.051 0.000 0.794 512 P CB 0.878 32.611 31.700 0.055 0.000 0.955 513 S N 1.480 117.221 115.700 0.070 0.000 2.603 513 S HA -0.020 4.485 4.470 0.058 0.000 0.268 513 S C -0.647 174.043 174.600 0.149 0.000 1.317 513 S CA -0.403 57.836 58.200 0.064 0.000 1.012 513 S CB 1.245 64.443 63.200 -0.003 0.000 0.926 513 S HN 0.264 8.616 8.310 0.071 0.000 0.539 514 H N 4.768 123.858 119.070 0.035 0.000 2.745 514 H HA 0.206 5.056 4.556 0.242 -0.149 0.235 514 H C -0.731 174.703 175.328 0.177 0.000 1.815 514 H CA -1.524 54.631 56.048 0.179 0.000 1.321 514 H CB -1.399 28.463 29.762 0.167 0.000 1.716 514 H HN 0.450 8.834 8.280 0.173 0.000 0.546 515 T N -0.974 113.642 114.554 0.103 0.000 2.883 515 T HA 0.137 4.030 4.350 -0.761 0.000 0.296 515 T C -1.707 172.864 174.700 -0.214 0.000 1.117 515 T CA -2.653 59.217 62.100 -0.384 0.000 1.006 515 T CB 2.912 71.420 68.868 -0.601 0.000 1.191 515 T HN -0.556 7.779 8.240 0.243 0.051 0.508 516 A N -0.397 122.086 122.820 -0.561 0.000 2.386 516 A HA 0.043 4.441 4.320 0.130 0.000 0.248 516 A C 0.582 178.253 177.584 0.144 0.000 1.082 516 A CA 0.886 52.859 52.037 -0.108 0.000 0.789 516 A CB 0.436 19.345 19.000 -0.151 0.000 1.025 516 A HN 0.105 7.748 8.150 -0.846 0.000 0.490 517 G N -1.177 107.758 108.800 0.225 0.000 2.205 517 G HA2 -0.180 3.932 3.960 0.254 0.000 0.180 517 G HA3 -0.180 3.923 3.960 0.239 0.000 0.180 517 G C -0.444 174.575 174.900 0.197 0.000 1.004 517 G CA -0.708 44.532 45.100 0.233 0.000 0.670 517 G HN 0.262 8.701 8.290 0.249 0.000 0.496 518 G N 1.211 110.142 108.800 0.218 0.000 2.484 518 G HA2 -0.064 4.216 3.960 0.153 0.000 0.235 518 G HA3 -0.064 4.021 3.960 0.209 0.000 0.235 518 G C -1.352 173.648 174.900 0.167 0.000 1.282 518 G CA 0.221 45.433 45.100 0.187 0.000 0.857 518 G HN -0.327 8.115 8.290 0.254 0.000 0.571 519 T N 0.853 115.477 114.554 0.117 0.000 2.901 519 T HA 0.166 4.582 4.350 0.110 0.000 0.293 519 T C -1.305 173.438 174.700 0.072 0.000 1.084 519 T CA -1.530 60.624 62.100 0.089 0.000 1.008 519 T CB 2.826 71.720 68.868 0.042 0.000 1.170 519 T HN -0.015 8.587 8.240 0.102 -0.300 0.509 520 G N 0.088 108.928 108.800 0.066 0.000 2.335 520 G HA2 0.071 4.046 3.960 0.024 0.000 0.291 520 G HA3 0.071 4.052 3.960 0.035 0.000 0.291 520 G C -1.372 173.555 174.900 0.045 0.000 1.261 520 G CA 0.357 45.482 45.100 0.041 0.000 0.871 520 G HN -0.117 8.215 8.290 0.070 0.000 0.491 521 G N -1.071 107.749 108.800 0.032 0.000 2.746 521 G HA2 -0.189 3.791 3.960 0.033 0.000 0.685 521 G HA3 -0.189 3.801 3.960 0.050 0.000 0.685 521 G C -1.412 173.495 174.900 0.012 0.000 1.350 521 G CA -0.204 44.916 45.100 0.033 0.000 0.837 521 G HN 0.016 8.317 8.290 0.018 0.000 0.564 522 S N -0.460 115.245 115.700 0.008 0.000 2.540 522 S HA 0.281 4.747 4.470 -0.008 0.000 0.275 522 S C -0.425 174.171 174.600 -0.007 0.000 1.123 522 S CA -0.532 57.667 58.200 -0.002 0.000 0.907 522 S CB 2.786 65.986 63.200 -0.000 0.000 1.081 522 S HN -0.136 8.183 8.310 0.016 0.000 0.476 523 T N -1.443 113.101 114.554 -0.017 0.000 3.023 523 T HA -0.117 4.218 4.350 -0.025 0.000 0.266 523 T C -0.686 174.010 174.700 -0.006 0.000 1.093 523 T CA 1.147 63.234 62.100 -0.021 0.000 1.129 523 T CB 0.443 69.291 68.868 -0.034 0.000 0.899 523 T HN 0.115 8.344 8.240 -0.019 0.000 0.491 524 S N 0.031 115.729 115.700 -0.003 0.000 2.625 524 S HA 0.750 5.421 4.470 0.006 -0.198 0.271 524 S C -1.180 173.421 174.600 0.002 0.000 1.161 524 S CA -1.383 56.818 58.200 0.002 0.000 0.820 524 S CB 3.484 66.684 63.200 -0.000 0.000 1.137 524 S HN -0.777 7.492 8.310 -0.005 0.038 0.470 525 V N -4.714 115.202 119.914 0.005 0.000 2.876 525 V HA 0.480 4.602 4.120 0.003 0.000 0.312 525 V C -1.857 174.240 176.094 0.004 0.000 1.085 525 V CA -1.901 60.402 62.300 0.005 0.000 0.945 525 V CB 3.399 35.227 31.823 0.007 0.000 1.017 525 V HN 0.482 8.675 8.190 0.006 0.000 0.428 526 T N 6.661 121.218 114.554 0.004 0.000 2.791 526 T HA 0.155 4.509 4.350 0.005 0.000 0.288 526 T C -0.627 174.080 174.700 0.010 0.000 0.999 526 T CA -1.315 60.788 62.100 0.006 0.000 0.952 526 T CB 0.880 69.750 68.868 0.004 0.000 0.938 526 T HN -0.059 8.183 8.240 0.004 0.000 0.444 527 L N 7.429 128.660 121.223 0.015 0.000 2.456 527 L HA -0.160 4.306 4.340 0.014 -0.118 0.272 527 L C -0.445 176.437 176.870 0.021 0.000 1.189 527 L CA 0.652 55.502 54.840 0.018 0.000 0.846 527 L CB 0.586 42.659 42.059 0.024 0.000 1.111 527 L HN 0.359 8.598 8.230 0.015 0.000 0.475 528 E N -0.153 120.057 120.200 0.016 0.000 2.339 528 E HA 0.246 4.608 4.350 0.020 0.000 0.262 528 E C 0.180 176.788 176.600 0.014 0.000 0.934 528 E CA -1.730 54.679 56.400 0.016 0.000 0.802 528 E CB 2.732 32.438 29.700 0.010 0.000 1.275 528 E HN -0.178 8.491 8.360 0.013 -0.301 0.427 529 N N 1.553 120.260 118.700 0.012 0.000 2.205 529 N HA -0.258 4.487 4.740 0.009 0.000 0.186 529 N C 1.728 177.241 175.510 0.006 0.000 1.015 529 N CA 3.118 56.173 53.050 0.008 0.000 0.862 529 N CB -0.042 38.448 38.487 0.006 0.000 0.986 529 N HN 0.463 8.851 8.380 0.013 0.000 0.429 530 T N -2.818 111.739 114.554 0.005 0.000 2.929 530 T HA -0.228 4.123 4.350 0.002 0.000 0.271 530 T C 0.706 175.408 174.700 0.003 0.000 1.085 530 T CA 1.992 64.094 62.100 0.002 0.000 1.125 530 T CB -0.270 68.598 68.868 0.001 0.000 0.874 530 T HN 0.290 8.513 8.240 0.005 0.020 0.494 531 N N -0.999 117.704 118.700 0.005 0.000 2.467 531 N HA -0.052 4.690 4.740 0.003 0.000 0.184 531 N C -0.230 175.284 175.510 0.006 0.000 1.106 531 N CA 0.679 53.732 53.050 0.005 0.000 0.892 531 N CB 0.540 39.032 38.487 0.007 0.000 0.969 531 N HN -0.548 7.685 8.380 0.006 0.150 0.454 532 L N 1.140 122.366 121.223 0.006 0.000 2.312 532 L HA 0.275 4.620 4.340 0.007 0.000 0.281 532 L C -1.407 175.465 176.870 0.003 0.000 1.070 532 L CA -1.919 52.924 54.840 0.006 0.000 0.805 532 L CB -0.124 41.938 42.059 0.006 0.000 1.174 532 L HN -0.561 7.613 8.230 0.006 0.059 0.434 533 P HA 0.135 4.556 4.420 0.001 0.000 0.276 533 P C -1.054 176.246 177.300 0.001 0.000 1.261 533 P CA -0.884 62.217 63.100 0.002 0.000 0.800 533 P CB 0.776 32.477 31.700 0.002 0.000 1.066 534 A N -0.992 121.828 122.820 -0.000 0.000 2.498 534 A HA -0.031 4.288 4.320 -0.001 0.000 0.239 534 A C -0.023 177.561 177.584 -0.001 0.000 1.068 534 A CA 0.763 52.800 52.037 -0.001 0.000 0.766 534 A CB -0.183 18.817 19.000 -0.002 0.000 1.003 534 A HN 0.106 8.256 8.150 -0.000 0.000 0.497 535 T N -2.144 112.409 114.554 -0.002 0.000 2.838 535 T HA 0.277 4.626 4.350 -0.001 0.000 0.292 535 T C -1.869 172.829 174.700 -0.003 0.000 1.113 535 T CA -1.082 61.017 62.100 -0.002 0.000 1.008 535 T CB 1.565 70.431 68.868 -0.002 0.000 1.259 535 T HN -0.078 8.161 8.240 -0.002 0.000 0.520 536 E N 1.191 121.390 120.200 -0.003 0.000 2.413 536 E HA 0.211 4.558 4.350 -0.004 0.000 0.277 536 E C -1.459 175.139 176.600 -0.004 0.000 0.958 536 E CA -0.922 55.476 56.400 -0.004 0.000 0.779 536 E CB 1.620 31.318 29.700 -0.003 0.000 1.278 536 E HN -0.069 8.290 8.360 -0.002 0.000 0.456 537 T N -1.094 113.458 114.554 -0.004 0.000 2.932 537 T HA -0.023 4.325 4.350 -0.004 0.000 0.312 537 T C -0.128 174.570 174.700 -0.003 0.000 1.071 537 T CA -0.640 61.458 62.100 -0.004 0.000 1.128 537 T CB 0.592 69.458 68.868 -0.003 0.000 0.984 537 T HN -0.143 8.095 8.240 -0.004 0.000 0.549 538 D N 1.980 122.379 120.400 -0.002 0.000 2.178 538 D HA -0.051 4.588 4.640 -0.002 0.000 0.202 538 D C 0.077 176.375 176.300 -0.003 0.000 0.974 538 D CA 1.577 55.576 54.000 -0.002 0.000 0.841 538 D CB 0.133 40.932 40.800 -0.001 0.000 0.953 538 D HN 0.343 8.712 8.370 -0.002 0.000 0.478 539 E N -1.593 118.606 120.200 -0.003 0.000 2.281 539 E HA 0.213 4.561 4.350 -0.004 0.000 0.262 539 E C -1.192 175.405 176.600 -0.005 0.000 0.933 539 E CA -1.091 55.307 56.400 -0.004 0.000 0.809 539 E CB 2.167 31.865 29.700 -0.003 0.000 1.242 539 E HN -0.412 7.923 8.360 -0.003 0.023 0.418 540 E N 1.265 121.461 120.200 -0.006 0.000 2.383 540 E HA -0.127 4.218 4.350 -0.008 0.000 0.264 540 E C -0.346 176.248 176.600 -0.009 0.000 1.050 540 E CA 0.612 57.007 56.400 -0.008 0.000 0.896 540 E CB 0.429 30.122 29.700 -0.010 0.000 0.982 540 E HN 0.149 8.505 8.360 -0.006 0.000 0.424 541 V N -0.436 119.471 119.914 -0.011 0.000 3.164 541 V HA 0.343 4.455 4.120 -0.014 0.000 0.313 541 V C -1.186 174.895 176.094 -0.021 0.000 1.188 541 V CA -1.747 60.545 62.300 -0.013 0.000 1.058 541 V CB 1.754 33.573 31.823 -0.007 0.000 1.110 541 V HN 0.187 8.371 8.190 -0.011 0.000 0.453 542 L N 1.047 122.252 121.223 -0.030 0.000 2.278 542 L HA 0.291 4.609 4.340 -0.036 0.000 0.287 542 L C -0.237 176.615 176.870 -0.031 0.000 1.072 542 L CA -0.297 54.519 54.840 -0.040 0.000 0.819 542 L CB -0.180 41.838 42.059 -0.068 0.000 1.176 542 L HN -0.012 8.199 8.230 -0.031 0.000 0.435 543 I N 3.943 124.499 120.570 -0.025 0.000 2.433 543 I HA 0.231 4.392 4.170 -0.015 0.000 0.292 543 I C -0.510 175.597 176.117 -0.018 0.000 1.001 543 I CA -1.122 60.167 61.300 -0.017 0.000 1.119 543 I CB 1.429 39.421 38.000 -0.013 0.000 1.289 543 I HN 0.170 8.364 8.210 -0.025 0.000 0.438 544 V N 4.987 124.892 119.914 -0.014 0.000 2.617 544 V HA -0.083 4.027 4.120 -0.016 0.000 0.304 544 V C -0.625 175.463 176.094 -0.011 0.000 1.040 544 V CA 1.115 63.407 62.300 -0.013 0.000 1.149 544 V CB 0.008 31.826 31.823 -0.008 0.000 0.914 544 V HN 0.052 8.234 8.190 -0.012 0.000 0.487 545 D N 6.134 126.527 120.400 -0.012 0.000 2.613 545 D HA 0.087 4.722 4.640 -0.008 0.000 0.230 545 D C 0.337 176.632 176.300 -0.009 0.000 1.365 545 D CA -0.478 53.517 54.000 -0.010 0.000 0.976 545 D CB 1.987 42.780 40.800 -0.011 0.000 1.415 545 D HN -0.006 8.356 8.370 -0.013 0.000 0.589 546 E N 4.583 124.779 120.200 -0.007 0.000 2.209 546 E HA -0.229 4.117 4.350 -0.006 0.000 0.196 546 E C 0.463 177.059 176.600 -0.007 0.000 0.993 546 E CA 2.079 58.475 56.400 -0.006 0.000 0.819 546 E CB -0.034 29.664 29.700 -0.005 0.000 0.745 546 E HN 0.562 8.919 8.360 -0.006 0.000 0.477 547 N N -2.400 116.296 118.700 -0.007 0.000 2.270 547 N HA 0.049 4.785 4.740 -0.006 0.000 0.198 547 N C -0.233 175.272 175.510 -0.008 0.000 1.117 547 N CA -0.202 52.844 53.050 -0.007 0.000 0.845 547 N CB 0.724 39.207 38.487 -0.006 0.000 0.980 547 N HN -0.444 8.177 8.380 -0.007 -0.244 0.486 548 G N 0.619 109.414 108.800 -0.010 0.000 2.636 548 G HA2 -0.062 3.891 3.960 -0.011 0.000 0.246 548 G HA3 -0.062 3.938 3.960 -0.013 -0.048 0.246 548 G C -0.107 174.786 174.900 -0.012 0.000 1.216 548 G CA 0.211 45.304 45.100 -0.012 0.000 0.854 548 G HN -0.165 7.920 8.290 -0.010 0.199 0.572 549 S N -0.341 115.351 115.700 -0.013 0.000 2.526 549 S HA -0.071 4.392 4.470 -0.011 0.000 0.220 549 S C -0.262 174.329 174.600 -0.015 0.000 1.017 549 S CA 0.486 58.679 58.200 -0.012 0.000 0.930 549 S CB 0.788 63.981 63.200 -0.011 0.000 0.856 549 S HN 0.151 8.453 8.310 -0.014 0.000 0.497 550 V N 4.279 124.182 119.914 -0.018 0.000 2.432 550 V HA 0.099 4.206 4.120 -0.021 0.000 0.271 550 V C -0.928 175.151 176.094 -0.025 0.000 1.046 550 V CA -0.171 62.115 62.300 -0.023 0.000 0.945 550 V CB -0.085 31.721 31.823 -0.027 0.000 0.992 550 V HN -0.471 7.708 8.190 -0.018 0.000 0.471 551 I N 7.040 127.596 120.570 -0.024 0.000 2.336 551 I HA 0.200 4.356 4.170 -0.024 0.000 0.292 551 I C -0.621 175.478 176.117 -0.031 0.000 0.991 551 I CA -0.376 60.910 61.300 -0.024 0.000 1.227 551 I CB 0.602 38.591 38.000 -0.017 0.000 1.366 551 I HN 0.172 8.368 8.210 -0.022 0.000 0.466 567 T N -1.008 113.575 114.554 0.047 0.000 2.940 567 T HA 0.274 4.590 4.350 -0.057 0.000 0.288 567 T C 0.118 174.718 174.700 -0.167 0.000 1.033 567 T CA -0.827 61.213 62.100 -0.099 0.000 1.033 567 T CB 1.757 70.490 68.868 -0.225 0.000 1.079 567 T HN -0.264 7.995 8.240 0.032 0.000 0.496 568 K N 1.196 121.501 120.400 -0.158 0.000 2.646 568 K HA 0.187 4.512 4.320 0.009 0.000 0.270 568 K C -1.071 175.292 176.600 -0.394 0.000 1.026 568 K CA -0.460 55.763 56.287 -0.107 0.000 1.043 568 K CB 0.811 33.315 32.500 0.006 0.000 1.383 568 K HN 0.177 8.355 8.250 -0.120 0.000 0.513 569 Y N -1.505 118.803 120.300 0.014 0.000 2.605 569 Y HA 0.394 4.950 4.550 0.009 0.000 0.343 569 Y C -0.941 174.963 175.900 0.007 0.000 1.036 569 Y CA -0.817 57.288 58.100 0.009 0.000 1.065 569 Y CB 2.356 40.819 38.460 0.007 0.000 1.288 569 Y HN 0.164 8.574 8.280 0.216 0.000 0.481 570 R N 0.289 120.888 120.500 0.166 0.000 2.803 570 R HA 0.385 4.780 4.340 0.093 0.000 0.276 570 R C -1.343 175.012 176.300 0.093 0.000 0.978 570 R CA -1.024 55.136 56.100 0.101 0.000 0.939 570 R CB 2.042 32.376 30.300 0.056 0.000 1.179 570 R HN 0.341 8.714 8.270 0.171 0.000 0.472 571 E N 1.380 121.615 120.200 0.057 0.000 2.089 571 E HA 0.137 4.509 4.350 0.037 0.000 0.284 571 E C -0.926 175.691 176.600 0.028 0.000 1.023 571 E CA -0.247 56.175 56.400 0.036 0.000 0.819 571 E CB -0.038 29.675 29.700 0.022 0.000 1.076 571 E HN 0.424 8.815 8.360 0.052 0.000 0.396 572 A N 4.322 127.157 122.820 0.025 0.000 2.601 572 A HA 0.088 4.417 4.320 0.014 0.000 0.291 572 A C -1.663 175.930 177.584 0.014 0.000 1.075 572 A CA -0.514 51.534 52.037 0.018 0.000 0.671 572 A CB 1.459 20.471 19.000 0.019 0.000 1.277 572 A HN 0.134 8.301 8.150 0.028 0.000 0.417 573 K N 0.149 120.554 120.400 0.009 0.000 2.412 573 K HA -0.084 4.239 4.320 0.005 0.000 0.281 573 K C -0.373 176.230 176.600 0.005 0.000 1.027 573 K CA -0.032 56.258 56.287 0.005 0.000 0.989 573 K CB 0.365 32.865 32.500 0.002 0.000 0.935 573 K HN 0.090 8.345 8.250 0.008 0.000 0.475 574 A N 4.196 127.018 122.820 0.004 0.000 2.276 574 A HA 0.195 4.518 4.320 0.005 0.000 0.300 574 A C 0.366 177.945 177.584 -0.007 0.000 1.235 574 A CA -0.805 51.233 52.037 0.002 0.000 0.867 574 A CB 0.507 19.510 19.000 0.005 0.000 1.137 574 A HN 0.165 8.317 8.150 0.003 0.000 0.527 575 S N 1.946 117.639 115.700 -0.012 0.000 2.603 575 S HA 0.098 4.554 4.470 -0.024 0.000 0.268 575 S C -0.634 173.944 174.600 -0.037 0.000 1.317 575 S CA 0.136 58.322 58.200 -0.024 0.000 1.012 575 S CB 0.650 63.835 63.200 -0.025 0.000 0.926 575 S HN 0.316 8.620 8.310 -0.009 0.000 0.539 576 T N 3.284 117.805 114.554 -0.055 0.000 2.848 576 T HA 0.061 4.363 4.350 -0.079 0.000 0.285 576 T C -0.925 173.686 174.700 -0.149 0.000 0.995 576 T CA 0.211 62.260 62.100 -0.084 0.000 0.970 576 T CB 0.831 69.659 68.868 -0.067 0.000 0.976 576 T HN -0.021 8.187 8.240 -0.052 0.000 0.441 577 N N 2.511 121.070 118.700 -0.234 0.000 2.754 577 N HA -0.282 4.101 4.740 -0.595 0.000 0.248 577 N C 0.788 176.113 175.510 -0.307 0.000 1.093 577 N CA 0.556 53.304 53.050 -0.503 0.000 0.699 577 N CB -0.810 37.222 38.487 -0.759 0.000 1.016 577 N HN 0.372 8.637 8.380 -0.191 0.000 0.552 578 S N -1.445 114.173 115.700 -0.137 0.000 2.419 578 S HA -0.219 4.224 4.470 -0.045 0.000 0.235 578 S C 0.907 175.507 174.600 0.000 0.000 1.019 578 S CA 2.244 60.413 58.200 -0.051 0.000 0.982 578 S CB -0.051 63.132 63.200 -0.028 0.000 0.789 578 S HN 0.351 8.586 8.310 -0.125 0.000 0.490 579 T N -4.823 109.750 114.554 0.032 0.000 3.129 579 T HA -0.056 4.338 4.350 0.074 0.000 0.251 579 T C -0.390 174.442 174.700 0.220 0.000 1.117 579 T CA 0.234 62.402 62.100 0.113 0.000 1.034 579 T CB 0.199 69.141 68.868 0.122 0.000 0.968 579 T HN -0.490 7.704 8.240 -0.009 0.041 0.526 580 H N 4.489 123.560 119.070 0.002 0.000 2.923 580 H HA 0.094 4.651 4.556 0.002 0.000 0.251 580 H C -1.134 174.195 175.328 0.002 0.000 1.741 580 H CA -0.611 55.438 56.048 0.002 0.000 1.387 580 H CB -1.444 28.319 29.762 0.003 0.000 1.740 580 H HN -0.423 7.910 8.280 0.198 0.066 0.544 581 T N 1.970 116.586 114.554 0.102 0.000 3.317 581 T HA 0.258 4.642 4.350 0.057 0.000 0.361 581 T C -1.583 173.134 174.700 0.029 0.000 1.499 581 T CA -2.815 59.319 62.100 0.057 0.000 1.529 581 T CB 0.436 69.332 68.868 0.046 0.000 0.997 581 T HN -0.375 7.885 8.240 0.092 0.035 0.624 582 P HA 0.409 4.942 4.420 0.038 -0.090 0.283 582 P C -2.128 175.174 177.300 0.003 0.000 1.278 582 P CA -2.281 60.831 63.100 0.022 0.000 0.834 582 P CB -0.220 31.485 31.700 0.009 0.000 1.150 583 P HA 0.035 4.364 4.420 -0.151 0.000 0.274 583 P C -0.777 176.484 177.300 -0.066 0.000 1.260 583 P CA -0.702 62.368 63.100 -0.050 0.000 0.793 583 P CB 0.646 32.365 31.700 0.033 0.000 1.048 584 T N 2.131 116.626 114.554 -0.099 0.000 2.888 584 T HA -0.096 4.218 4.350 -0.060 0.000 0.301 584 T C 0.453 175.134 174.700 -0.031 0.000 1.001 584 T CA 0.680 62.741 62.100 -0.066 0.000 1.147 584 T CB 0.188 69.010 68.868 -0.075 0.000 0.931 584 T HN -0.062 8.089 8.240 -0.149 0.000 0.541 585 S N 4.611 120.299 115.700 -0.021 0.000 2.589 585 S HA 0.079 4.649 4.470 -0.005 -0.103 0.265 585 S C -0.266 174.331 174.600 -0.005 0.000 1.342 585 S CA 0.543 58.738 58.200 -0.009 0.000 1.005 585 S CB 0.850 64.045 63.200 -0.007 0.000 0.909 585 S HN 0.090 8.386 8.310 -0.023 0.000 0.555 586 I N 0.769 121.340 120.570 0.002 0.000 2.530 586 I HA 0.224 4.397 4.170 0.005 0.000 0.297 586 I C -0.733 175.390 176.117 0.010 0.000 1.011 586 I CA -1.388 59.916 61.300 0.006 0.000 1.107 586 I CB 3.121 41.126 38.000 0.009 0.000 1.285 586 I HN 0.615 8.827 8.210 0.003 0.000 0.436 587 T N 5.982 120.545 114.554 0.014 0.000 2.937 587 T HA -0.302 4.059 4.350 0.018 0.000 0.316 587 T C -0.141 174.572 174.700 0.022 0.000 1.079 587 T CA 1.742 63.854 62.100 0.021 0.000 1.131 587 T CB 0.473 69.360 68.868 0.032 0.000 1.000 587 T HN 0.248 8.497 8.240 0.014 0.000 0.549 588 N N 7.337 126.050 118.700 0.022 0.000 2.291 588 N HA 0.205 4.960 4.740 0.026 0.000 0.244 588 N C -1.025 174.503 175.510 0.031 0.000 1.216 588 N CA -0.680 52.384 53.050 0.024 0.000 0.879 588 N CB 1.049 39.546 38.487 0.017 0.000 1.167 588 N HN 0.020 8.411 8.380 0.019 0.000 0.515 589 I N 1.702 122.299 120.570 0.044 0.000 2.339 589 I HA 0.171 4.367 4.170 0.044 0.000 0.290 589 I C -0.532 175.647 176.117 0.104 0.000 0.994 589 I CA -0.351 60.988 61.300 0.066 0.000 1.191 589 I CB 0.530 38.574 38.000 0.074 0.000 1.343 589 I HN -0.743 7.495 8.210 0.047 0.000 0.458 590 Q N 7.694 127.555 119.800 0.102 0.000 2.318 590 Q HA 0.334 4.718 4.340 0.074 0.000 0.222 590 Q C -2.048 174.034 176.000 0.137 0.000 1.003 590 Q CA -2.130 53.728 55.803 0.092 0.000 0.936 590 Q CB -0.448 28.328 28.738 0.063 0.000 1.204 590 Q HN 0.117 8.439 8.270 0.086 0.000 0.524 591 P HA -0.048 4.353 4.420 -0.033 0.000 0.264 591 P C -2.149 175.192 177.300 0.068 0.000 1.193 591 P CA 0.342 63.451 63.100 0.015 0.000 0.763 591 P CB 0.125 31.811 31.700 -0.024 0.000 0.810 592 Y N -0.565 119.726 120.300 -0.016 0.000 2.609 592 Y HA 0.428 4.966 4.550 -0.020 0.000 0.342 592 Y C -1.752 174.132 175.900 -0.027 0.000 1.058 592 Y CA -1.428 56.659 58.100 -0.021 0.000 1.055 592 Y CB 1.735 40.180 38.460 -0.025 0.000 1.292 592 Y HN -0.103 7.975 8.280 -0.336 0.000 0.476 593 I N 1.408 122.064 120.570 0.143 0.000 2.647 593 I HA 0.331 4.533 4.170 0.055 0.000 0.295 593 I C -1.366 174.853 176.117 0.170 0.000 1.078 593 I CA -1.243 60.115 61.300 0.097 0.000 1.048 593 I CB 2.244 40.242 38.000 -0.003 0.000 1.239 593 I HN -0.027 8.289 8.210 0.177 0.000 0.421 594 T N 5.738 120.370 114.554 0.131 0.000 2.913 594 T HA 0.256 4.608 4.350 0.003 0.000 0.287 594 T C -0.290 174.351 174.700 -0.097 0.000 1.008 594 T CA -0.837 61.263 62.100 -0.000 0.000 1.067 594 T CB 0.693 69.529 68.868 -0.053 0.000 0.996 594 T HN -0.044 8.277 8.240 0.135 0.000 0.513 595 V N -2.878 116.952 119.914 -0.140 0.000 3.078 595 V HA 0.253 4.254 4.120 -0.199 0.000 0.311 595 V C -1.893 174.074 176.094 -0.211 0.000 1.138 595 V CA -2.801 59.405 62.300 -0.156 0.000 1.007 595 V CB 2.506 34.304 31.823 -0.042 0.000 1.045 595 V HN -0.133 7.983 8.190 -0.123 0.000 0.432 596 Y N 1.510 121.829 120.300 0.032 0.000 2.531 596 Y HA -0.037 4.461 4.550 -0.086 0.000 0.347 596 Y C -1.191 174.703 175.900 -0.010 0.000 1.024 596 Y CA 0.073 58.185 58.100 0.020 0.000 1.306 596 Y CB -0.113 38.502 38.460 0.258 0.000 1.149 596 Y HN 0.005 8.309 8.280 0.040 0.000 0.527 597 R N 3.957 124.408 120.500 -0.082 0.000 2.445 597 R HA 0.591 5.182 4.340 0.146 -0.164 0.308 597 R C -1.488 174.737 176.300 -0.123 0.000 0.961 597 R CA -1.382 54.723 56.100 0.009 0.000 0.862 597 R CB 3.241 33.579 30.300 0.062 0.000 1.144 597 R HN 0.240 8.406 8.270 -0.173 0.000 0.447 598 W N 4.515 125.989 121.300 0.290 0.000 2.950 598 W HA 0.616 5.662 4.660 0.373 -0.162 0.340 598 W C -1.438 175.310 176.519 0.383 0.000 1.139 598 W CA -1.324 56.245 57.345 0.373 0.000 1.188 598 W CB 4.059 33.743 29.460 0.374 0.000 1.426 598 W HN 0.807 9.286 8.180 0.499 0.000 0.531 599 I N -0.232 120.696 120.570 0.596 0.000 2.474 599 I HA 0.793 5.283 4.170 0.188 -0.207 0.294 599 I C -1.916 174.343 176.117 0.236 0.000 1.005 599 I CA -3.166 58.289 61.300 0.257 0.000 1.113 599 I CB 4.366 42.328 38.000 -0.062 0.000 1.289 599 I HN 0.794 9.392 8.210 0.648 0.000 0.436 600 R N 8.449 128.843 120.500 -0.177 0.000 2.248 600 R HA 0.182 4.047 4.340 -1.054 -0.158 0.328 600 R C 0.689 176.798 176.300 -0.319 0.000 1.067 600 R CA 0.093 55.741 56.100 -0.753 0.000 0.924 600 R CB 0.248 29.888 30.300 -1.099 0.000 1.013 600 R HN 0.076 8.277 8.270 -0.115 0.000 0.454 601 I N 1.122 121.567 120.570 -0.208 0.000 3.645 601 I HA 0.250 4.435 4.170 0.026 0.000 0.300 601 I C -1.628 174.514 176.117 0.040 0.000 1.260 601 I CA -0.163 61.142 61.300 0.008 0.000 1.365 601 I CB 0.986 39.090 38.000 0.173 0.000 1.077 601 I HN 0.434 8.479 8.210 -0.275 0.000 0.439 602 A N 0.000 122.743 122.820 -0.128 0.000 2.254 602 A HA 0.000 4.301 4.320 -0.032 0.000 0.244 602 A CA 0.000 51.980 52.037 -0.095 0.000 0.836 602 A CB 0.000 18.919 19.000 -0.135 0.000 0.831 602 A HN 0.000 8.004 8.150 -0.244 0.000 0.486