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 3krj_1_A DATA FIRST_RESID 544 DATA SEQUENCE PKYQVRWKII ESYEGNSYTF IDPTQLPYNE KWEFPRNNLQ FGKTLGAGAF DATA SEQUENCE GKVVEATAFG LGKEDAVLKV AVKMLKSTAH ADEKEALMSE LKIMSHLGQH DATA SEQUENCE ENIVNLLGAC THGGPVLVIT EYCCYGDLLN FLRRKRPPGX XXXXXXXXXX DATA SEQUENCE XXQLSSXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXR DLLHFSSQVA QGMAFLASKN CIHRDVAARN VLLTNGHVAK DATA SEQUENCE IGDFGLARDI MNDSNYIVKG XARLPVKWMA PESIFDCVYT VQSDVWSYGI DATA SEQUENCE LLWEIFSLGL NPYPGILVNS KFYKLVKDGY QMAQPAFAPK NIYSIMQACW DATA SEQUENCE ALEPTHRPTF QQICSFLQEQ A 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 544 P HA 0.000 4.549 4.420 0.214 0.000 0.216 544 P C 0.000 177.534 177.300 0.389 0.000 1.155 544 P CA 0.000 63.242 63.100 0.237 0.000 0.800 544 P CB 0.000 31.780 31.700 0.134 0.000 0.726 545 K N -0.734 119.816 120.400 0.251 0.000 2.156 545 K HA 0.171 4.581 4.320 0.150 0.000 0.271 545 K C -1.688 174.832 176.600 -0.133 0.000 0.995 545 K CA -0.718 55.633 56.287 0.107 0.000 0.890 545 K CB 1.085 33.602 32.500 0.027 0.000 1.073 545 K HN -0.411 7.953 8.250 0.190 0.000 0.454 546 Y N 3.956 123.876 120.300 -0.634 0.000 2.353 546 Y HA -0.052 3.928 4.550 -0.950 0.000 0.340 546 Y C -1.980 173.653 175.900 -0.445 0.000 0.972 546 Y CA -0.419 57.102 58.100 -0.965 0.000 1.157 546 Y CB 1.713 39.207 38.460 -1.609 0.000 1.157 546 Y HN -0.101 8.149 8.280 -0.261 -0.126 0.495 547 Q N 4.261 123.553 119.800 -0.846 0.000 2.007 547 Q HA -0.045 4.042 4.340 -0.422 0.000 0.271 547 Q C -2.554 172.974 176.000 -0.787 0.000 0.829 547 Q CA 0.119 55.517 55.803 -0.675 0.000 0.678 547 Q CB -0.954 27.509 28.738 -0.458 0.000 0.870 547 Q HN 0.409 8.239 8.270 -0.733 0.000 0.425 548 V N -3.280 116.253 119.914 -0.636 0.000 2.406 548 V HA 0.255 4.076 4.120 -0.498 0.000 0.272 548 V C -0.617 175.327 176.094 -0.250 0.000 1.043 548 V CA -0.943 61.086 62.300 -0.453 0.000 0.915 548 V CB 0.913 32.519 31.823 -0.362 0.000 0.988 548 V HN -0.392 7.464 8.190 -0.555 0.000 0.466 549 R N 4.365 124.764 120.500 -0.167 0.000 2.080 549 R HA -0.006 4.271 4.340 -0.104 0.000 0.222 549 R C 0.545 176.882 176.300 0.062 0.000 1.107 549 R CA 1.183 57.252 56.100 -0.052 0.000 0.980 549 R CB 0.400 30.706 30.300 0.011 0.000 0.879 549 R HN 0.280 8.431 8.270 -0.198 0.000 0.439 550 W N -2.110 119.031 121.300 -0.265 0.000 2.193 550 W HA 0.261 4.989 4.660 -0.210 -0.194 0.338 550 W C 0.655 177.081 176.519 -0.156 0.000 1.310 550 W CA -1.230 55.987 57.345 -0.213 0.000 1.243 550 W CB 0.074 29.413 29.460 -0.201 0.000 1.165 550 W HN -0.688 7.636 8.180 0.240 0.000 0.566 551 K N 2.581 123.007 120.400 0.045 0.000 2.565 551 K HA 0.273 4.593 4.320 -0.001 0.000 0.251 551 K C -2.476 174.113 176.600 -0.019 0.000 0.956 551 K CA -1.085 55.196 56.287 -0.009 0.000 0.809 551 K CB 3.012 35.478 32.500 -0.057 0.000 1.267 551 K HN 0.175 8.421 8.250 -0.006 0.000 0.438 552 I N 5.055 125.616 120.570 -0.015 0.000 2.416 552 I HA 0.376 4.707 4.170 -0.020 -0.173 0.288 552 I C 0.788 176.880 176.117 -0.041 0.000 1.051 552 I CA -1.216 60.068 61.300 -0.026 0.000 1.375 552 I CB -1.058 36.916 38.000 -0.043 0.000 1.407 552 I HN 0.406 8.607 8.210 -0.014 0.000 0.516 553 I N 4.218 124.764 120.570 -0.041 0.000 2.982 553 I HA 0.587 4.733 4.170 -0.040 0.000 0.312 553 I C -0.532 175.541 176.117 -0.072 0.000 1.041 553 I CA -2.246 59.028 61.300 -0.042 0.000 1.053 553 I CB 3.116 41.105 38.000 -0.018 0.000 1.248 553 I HN 0.580 8.767 8.210 -0.038 0.000 0.471 554 E N 1.314 121.468 120.200 -0.076 0.000 2.349 554 E HA 0.170 4.412 4.350 -0.181 0.000 0.265 554 E C -0.641 175.886 176.600 -0.123 0.000 1.064 554 E CA 0.196 56.519 56.400 -0.128 0.000 0.886 554 E CB 0.648 30.285 29.700 -0.104 0.000 1.036 554 E HN 0.145 8.472 8.360 -0.054 0.000 0.413 555 S N 2.432 117.999 115.700 -0.221 0.000 2.718 555 S HA 0.224 4.648 4.470 -0.077 0.000 0.294 555 S C -0.694 173.818 174.600 -0.147 0.000 1.157 555 S CA -0.649 57.447 58.200 -0.172 0.000 1.121 555 S CB -0.048 63.011 63.200 -0.234 0.000 1.015 555 S HN 0.300 8.407 8.310 -0.338 0.000 0.479 556 Y N 5.953 126.186 120.300 -0.110 0.000 2.201 556 Y HA -0.192 4.319 4.550 -0.064 0.000 0.292 556 Y C -0.527 175.363 175.900 -0.016 0.000 1.119 556 Y CA 2.344 60.409 58.100 -0.059 0.000 1.127 556 Y CB 0.595 39.031 38.460 -0.040 0.000 1.019 556 Y HN 0.370 8.735 8.280 0.142 0.000 0.514 557 E N -1.151 119.203 120.200 0.255 0.000 3.317 557 E HA 0.026 4.487 4.350 0.185 0.000 0.304 557 E C 0.112 176.765 176.600 0.088 0.000 0.561 557 E CA -0.238 56.266 56.400 0.173 0.000 2.041 557 E CB 0.688 30.472 29.700 0.141 0.000 2.037 557 E HN -0.280 8.210 8.360 0.218 0.000 0.428 558 G N 0.273 109.111 108.800 0.064 0.000 2.939 558 G HA2 -0.262 3.720 3.960 0.037 0.000 0.278 558 G HA3 -0.262 3.721 3.960 0.037 0.000 0.278 558 G C -0.619 174.311 174.900 0.049 0.000 1.487 558 G CA -0.135 44.992 45.100 0.044 0.000 0.935 558 G HN -0.208 8.119 8.290 0.061 0.000 0.553 559 N N -0.154 118.572 118.700 0.043 0.000 2.398 559 N HA -0.017 4.754 4.740 0.053 0.000 0.188 559 N C -1.127 174.420 175.510 0.062 0.000 1.122 559 N CA 0.229 53.309 53.050 0.050 0.000 0.866 559 N CB 0.403 38.916 38.487 0.044 0.000 0.970 559 N HN 0.116 8.518 8.380 0.037 0.000 0.462 560 S N -1.334 114.400 115.700 0.056 0.000 2.500 560 S HA 0.111 4.631 4.470 0.083 0.000 0.301 560 S C -1.686 172.950 174.600 0.059 0.000 1.092 560 S CA -0.856 57.379 58.200 0.059 0.000 1.030 560 S CB 1.897 65.108 63.200 0.017 0.000 1.031 560 S HN -0.734 7.522 8.310 0.045 0.081 0.483 561 Y N 3.898 124.144 120.300 -0.089 0.000 2.409 561 Y HA 0.164 4.578 4.550 -0.227 0.000 0.343 561 Y C -0.854 174.865 175.900 -0.301 0.000 0.973 561 Y CA -0.823 57.121 58.100 -0.260 0.000 1.064 561 Y CB 3.214 41.410 38.460 -0.441 0.000 1.207 561 Y HN 0.115 8.495 8.280 0.166 0.000 0.452 562 T N 9.792 123.984 114.554 -0.603 0.000 2.811 562 T HA 0.205 4.512 4.350 -0.071 0.000 0.309 562 T C -0.836 173.687 174.700 -0.296 0.000 1.005 562 T CA 0.215 62.134 62.100 -0.302 0.000 0.955 562 T CB -0.074 68.644 68.868 -0.251 0.000 0.970 562 T HN 0.281 7.949 8.240 -0.952 0.000 0.496 563 F N 7.327 127.356 119.950 0.133 0.000 2.335 563 F HA -0.102 4.574 4.527 0.248 0.000 0.296 563 F C -0.110 175.731 175.800 0.069 0.000 1.091 563 F CA 1.782 59.886 58.000 0.174 0.000 1.399 563 F CB 0.925 40.039 39.000 0.190 0.000 1.067 563 F HN 0.299 8.804 8.300 0.341 0.000 0.520 564 I N -6.198 114.486 120.570 0.190 0.000 3.074 564 I HA 0.233 4.446 4.170 0.071 0.000 0.310 564 I C -2.325 173.757 176.117 -0.058 0.000 1.153 564 I CA -2.161 59.178 61.300 0.066 0.000 0.993 564 I CB 3.748 41.792 38.000 0.073 0.000 1.237 564 I HN -1.040 7.281 8.210 0.185 0.000 0.443 565 D N 1.872 122.234 120.400 -0.063 0.000 2.454 565 D HA 0.444 5.002 4.640 -0.136 0.000 0.225 565 D C -0.856 175.380 176.300 -0.107 0.000 1.081 565 D CA -3.285 50.656 54.000 -0.099 0.000 0.864 565 D CB 0.977 41.743 40.800 -0.056 0.000 1.040 565 D HN 0.085 8.438 8.370 -0.029 0.000 0.517 566 P HA -0.141 4.226 4.420 -0.089 0.000 0.216 566 P C 0.750 178.034 177.300 -0.028 0.000 1.150 566 P CA 2.015 65.039 63.100 -0.126 0.000 0.837 566 P CB 0.368 31.951 31.700 -0.197 0.000 0.786 567 T N -5.210 109.323 114.554 -0.034 0.000 2.977 567 T HA -0.321 4.032 4.350 0.004 0.000 0.271 567 T C 1.027 175.726 174.700 -0.002 0.000 1.105 567 T CA 2.897 64.990 62.100 -0.011 0.000 1.116 567 T CB -0.924 67.928 68.868 -0.027 0.000 0.878 567 T HN -0.428 7.910 8.240 -0.055 -0.130 0.509 568 Q N -1.513 118.283 119.800 -0.006 0.000 2.402 568 Q HA 0.047 4.391 4.340 0.006 0.000 0.206 568 Q C 0.317 176.331 176.000 0.022 0.000 0.919 568 Q CA 0.528 56.334 55.803 0.005 0.000 0.923 568 Q CB 0.441 29.177 28.738 -0.002 0.000 1.048 568 Q HN -0.438 7.661 8.270 -0.018 0.160 0.515 569 L N -2.371 118.871 121.223 0.030 0.000 2.650 569 L HA 0.491 4.860 4.340 0.048 0.000 0.207 569 L C -0.970 175.947 176.870 0.077 0.000 1.508 569 L CA -1.424 53.447 54.840 0.050 0.000 2.903 569 L CB -3.015 39.074 42.059 0.050 0.000 2.706 569 L HN -0.555 7.587 8.230 0.023 0.103 0.946 570 P HA -0.347 4.130 4.420 0.095 0.000 0.298 570 P C -1.042 176.355 177.300 0.161 0.000 1.957 570 P CA 1.606 64.781 63.100 0.125 0.000 1.755 570 P CB -0.029 31.773 31.700 0.172 0.000 0.255 571 Y N 1.367 121.712 120.300 0.075 0.000 2.425 571 Y HA -0.126 4.488 4.550 0.107 0.000 0.331 571 Y C -0.946 175.045 175.900 0.151 0.000 1.157 571 Y CA 0.008 58.171 58.100 0.105 0.000 1.372 571 Y CB 0.455 38.962 38.460 0.079 0.000 1.253 571 Y HN -0.036 8.435 8.280 0.320 0.000 0.536 572 N N 6.283 124.743 118.700 -0.399 0.000 2.442 572 N HA -0.088 4.518 4.740 -0.223 0.000 0.265 572 N C 0.764 175.812 175.510 -0.770 0.000 1.138 572 N CA -0.049 52.783 53.050 -0.362 0.000 0.956 572 N CB 0.296 38.767 38.487 -0.027 0.000 1.067 572 N HN 0.196 8.468 8.380 -0.180 0.000 0.474 573 E N 5.975 125.925 120.200 -0.415 0.000 2.482 573 E HA -0.192 4.004 4.350 -0.256 0.000 0.196 573 E C 1.176 177.715 176.600 -0.101 0.000 1.047 573 E CA 1.702 57.973 56.400 -0.215 0.000 0.869 573 E CB -0.386 29.310 29.700 -0.006 0.000 0.836 573 E HN 0.603 8.815 8.360 -0.248 0.000 0.520 574 K N -0.978 119.299 120.400 -0.206 0.000 2.442 574 K HA -0.119 4.109 4.320 -0.153 0.000 0.198 574 K C 1.098 177.542 176.600 -0.260 0.000 1.042 574 K CA 2.159 58.294 56.287 -0.252 0.000 0.958 574 K CB -1.136 31.132 32.500 -0.387 0.000 0.766 574 K HN -0.595 7.703 8.250 -0.255 -0.202 0.474 575 W N -2.659 118.651 121.300 0.017 0.000 3.003 575 W HA -0.011 4.722 4.660 0.122 0.000 0.257 575 W C -0.540 176.140 176.519 0.268 0.000 1.308 575 W CA -0.246 57.190 57.345 0.151 0.000 1.529 575 W CB 0.432 30.029 29.460 0.228 0.000 1.115 575 W HN -0.696 7.445 8.180 0.023 0.053 0.659 576 E N 0.257 120.736 120.200 0.464 0.000 2.452 576 E HA -0.001 4.853 4.350 0.510 -0.198 0.261 576 E C -0.232 176.614 176.600 0.410 0.000 0.987 576 E CA 0.825 57.492 56.400 0.444 0.000 0.926 576 E CB 0.649 30.564 29.700 0.359 0.000 0.934 576 E HN -0.863 7.551 8.360 0.344 0.152 0.452 577 F N 6.185 126.254 119.950 0.197 0.000 2.569 577 F HA 0.405 5.011 4.527 0.132 0.000 0.312 577 F C -2.518 173.355 175.800 0.122 0.000 1.109 577 F CA -3.275 54.812 58.000 0.145 0.000 0.919 577 F CB 3.371 42.456 39.000 0.141 0.000 1.211 577 F HN 0.033 8.587 8.300 0.423 0.000 0.446 578 P HA 0.059 4.392 4.420 -0.146 0.000 0.262 578 P C 0.062 177.233 177.300 -0.215 0.000 1.199 578 P CA 0.113 63.016 63.100 -0.329 0.000 0.763 578 P CB 0.161 31.621 31.700 -0.401 0.000 0.790 579 R N 7.438 127.921 120.500 -0.027 0.000 2.094 579 R HA -0.508 3.902 4.340 0.116 0.000 0.239 579 R C 0.623 176.946 176.300 0.038 0.000 1.137 579 R CA 3.750 59.880 56.100 0.050 0.000 0.943 579 R CB 0.136 30.459 30.300 0.040 0.000 0.850 579 R HN 0.634 8.898 8.270 -0.010 0.000 0.433 580 N N -5.212 113.483 118.700 -0.008 0.000 2.370 580 N HA -0.039 4.708 4.740 0.012 0.000 0.198 580 N C -0.279 175.267 175.510 0.060 0.000 1.156 580 N CA 0.171 53.225 53.050 0.008 0.000 0.839 580 N CB -1.262 37.213 38.487 -0.019 0.000 0.989 580 N HN 0.098 8.460 8.380 -0.031 0.000 0.468 581 N N -0.570 118.157 118.700 0.044 0.000 2.313 581 N HA 0.059 4.991 4.740 0.321 0.000 0.207 581 N C -2.243 173.500 175.510 0.388 0.000 1.141 581 N CA 0.176 53.346 53.050 0.201 0.000 0.830 581 N CB 0.153 38.574 38.487 -0.111 0.000 1.008 581 N HN -0.475 7.813 8.380 -0.049 0.062 0.481 582 L N -1.169 120.223 121.223 0.281 0.000 2.341 582 L HA 0.552 5.130 4.340 0.153 -0.146 0.278 582 L C -1.611 175.366 176.870 0.179 0.000 1.005 582 L CA -1.070 53.905 54.840 0.226 0.000 0.818 582 L CB 2.727 44.957 42.059 0.285 0.000 1.259 582 L HN -0.896 7.361 8.230 0.207 0.097 0.418 583 Q N 3.821 123.705 119.800 0.139 0.000 2.325 583 Q HA 0.344 4.747 4.340 0.105 0.000 0.270 583 Q C -0.870 175.275 176.000 0.243 0.000 1.020 583 Q CA -1.985 53.916 55.803 0.163 0.000 0.785 583 Q CB 3.119 31.984 28.738 0.212 0.000 1.259 583 Q HN -0.215 8.063 8.270 0.014 0.000 0.452 584 F N 4.707 124.654 119.950 -0.004 0.000 2.535 584 F HA -0.152 4.349 4.527 -0.044 0.000 0.332 584 F C 0.285 176.062 175.800 -0.037 0.000 1.208 584 F CA 0.866 58.849 58.000 -0.028 0.000 1.330 584 F CB 0.950 39.940 39.000 -0.016 0.000 1.167 584 F HN 0.512 8.961 8.300 0.249 0.000 0.597 585 G N -0.563 108.295 108.800 0.098 0.000 3.137 585 G HA2 0.292 4.281 3.960 0.048 0.000 0.196 585 G HA3 0.292 4.237 3.960 -0.025 0.000 0.196 585 G C -1.944 172.951 174.900 -0.008 0.000 1.135 585 G CA -0.641 44.472 45.100 0.022 0.000 0.803 585 G HN -0.017 8.284 8.290 0.018 0.000 0.619 586 K N 0.662 121.041 120.400 -0.034 0.000 2.382 586 K HA -0.021 4.289 4.320 -0.017 0.000 0.275 586 K C -0.128 176.436 176.600 -0.060 0.000 1.009 586 K CA 0.126 56.394 56.287 -0.032 0.000 0.970 586 K CB 0.553 33.039 32.500 -0.023 0.000 0.934 586 K HN 0.271 8.495 8.250 -0.044 0.000 0.479 587 T N 3.449 117.971 114.554 -0.053 0.000 2.799 587 T HA -0.150 4.136 4.350 -0.106 0.000 0.296 587 T C 0.355 175.022 174.700 -0.055 0.000 0.947 587 T CA 1.930 63.987 62.100 -0.072 0.000 1.141 587 T CB 0.014 68.849 68.868 -0.056 0.000 0.891 587 T HN 0.216 8.435 8.240 -0.036 0.000 0.533 588 L N 7.639 128.823 121.223 -0.066 0.000 2.131 588 L HA -0.050 4.272 4.340 -0.030 0.000 0.206 588 L C 0.602 177.444 176.870 -0.047 0.000 1.087 588 L CA 0.542 55.354 54.840 -0.048 0.000 0.767 588 L CB 0.431 42.456 42.059 -0.055 0.000 0.917 588 L HN 0.347 8.524 8.230 -0.088 0.000 0.441 589 G N -6.159 102.608 108.800 -0.055 0.000 2.523 589 G HA2 0.205 4.144 3.960 -0.035 0.000 0.291 589 G HA3 0.205 4.281 3.960 -0.034 -0.137 0.291 589 G C -3.243 171.626 174.900 -0.051 0.000 1.450 589 G CA 0.679 45.754 45.100 -0.042 0.000 0.790 589 G HN -0.761 7.488 8.290 -0.068 0.000 0.496 590 A N -2.041 120.751 122.820 -0.047 0.000 2.612 590 A HA 0.906 5.311 4.320 -0.067 -0.125 0.293 590 A C -2.524 175.020 177.584 -0.068 0.000 1.075 590 A CA -0.721 51.279 52.037 -0.061 0.000 0.680 590 A CB 3.155 22.116 19.000 -0.064 0.000 1.279 590 A HN -0.274 7.853 8.150 -0.038 0.000 0.411 591 G N -2.407 106.336 108.800 -0.095 0.000 2.846 591 G HA2 0.366 4.250 3.960 -0.126 0.000 0.299 591 G HA3 0.366 4.382 3.960 -0.122 -0.128 0.299 591 G C -1.627 173.133 174.900 -0.233 0.000 1.242 591 G CA -0.486 44.532 45.100 -0.137 0.000 0.800 591 G HN 0.011 8.241 8.290 -0.101 0.000 0.538 592 A N -1.025 121.540 122.820 -0.426 0.000 2.167 592 A HA 0.046 4.117 4.320 -0.415 0.000 0.214 592 A C 0.358 177.503 177.584 -0.731 0.000 1.151 592 A CA 1.939 53.591 52.037 -0.641 0.000 0.735 592 A CB -0.091 18.378 19.000 -0.884 0.000 0.802 592 A HN 0.474 8.354 8.150 -0.451 0.000 0.467 593 F N -6.437 113.412 119.950 -0.168 0.000 2.711 593 F HA 0.149 4.551 4.527 -0.209 0.000 0.296 593 F C -0.269 175.359 175.800 -0.286 0.000 1.096 593 F CA 0.192 58.036 58.000 -0.260 0.000 1.280 593 F CB 2.208 40.940 39.000 -0.446 0.000 1.060 593 F HN -0.340 7.719 8.300 -0.311 0.054 0.608 594 G N -4.187 104.556 108.800 -0.096 0.000 2.450 594 G HA2 0.300 4.257 3.960 -0.108 0.000 0.273 594 G HA3 0.300 4.328 3.960 -0.145 -0.155 0.273 594 G C -3.189 171.649 174.900 -0.105 0.000 1.221 594 G CA 0.592 45.621 45.100 -0.118 0.000 0.900 594 G HN -0.655 7.577 8.290 -0.097 0.000 0.483 595 K N -2.394 117.942 120.400 -0.107 0.000 2.578 595 K HA 0.523 4.880 4.320 -0.087 -0.089 0.287 595 K C -3.130 173.399 176.600 -0.117 0.000 1.010 595 K CA -0.971 55.256 56.287 -0.100 0.000 0.889 595 K CB 4.536 36.977 32.500 -0.098 0.000 1.514 595 K HN 0.343 8.524 8.250 -0.115 0.000 0.424 596 V N 0.649 120.493 119.914 -0.117 0.000 2.588 596 V HA 0.813 5.059 4.120 -0.156 -0.220 0.304 596 V C -2.472 173.521 176.094 -0.168 0.000 1.042 596 V CA -3.157 59.061 62.300 -0.137 0.000 0.877 596 V CB 2.919 34.683 31.823 -0.098 0.000 0.996 596 V HN -0.057 8.072 8.190 -0.103 0.000 0.425 597 V N 7.397 127.164 119.914 -0.244 0.000 2.656 597 V HA 0.358 4.458 4.120 -0.209 -0.105 0.307 597 V C -1.843 174.105 176.094 -0.243 0.000 1.051 597 V CA -2.079 60.050 62.300 -0.286 0.000 0.893 597 V CB 3.846 35.349 31.823 -0.533 0.000 0.999 597 V HN 0.328 8.356 8.190 -0.270 0.000 0.426 598 E N 6.637 126.732 120.200 -0.174 0.000 2.383 598 E HA 0.243 4.648 4.350 -0.177 -0.161 0.264 598 E C -1.777 174.700 176.600 -0.206 0.000 1.050 598 E CA -0.008 56.278 56.400 -0.191 0.000 0.896 598 E CB 1.861 31.437 29.700 -0.206 0.000 0.982 598 E HN -0.133 8.141 8.360 -0.143 0.000 0.424 599 A N 3.129 125.816 122.820 -0.221 0.000 2.599 599 A HA 0.597 4.945 4.320 -0.101 -0.089 0.290 599 A C -2.084 175.368 177.584 -0.220 0.000 1.101 599 A CA -0.816 51.133 52.037 -0.147 0.000 0.674 599 A CB 3.944 22.915 19.000 -0.047 0.000 1.277 599 A HN 0.531 8.522 8.150 -0.266 0.000 0.419 600 T N 1.820 116.231 114.554 -0.239 0.000 2.771 600 T HA 0.370 4.655 4.350 -0.341 -0.140 0.281 600 T C -1.073 173.268 174.700 -0.598 0.000 0.982 600 T CA -0.348 61.511 62.100 -0.401 0.000 0.978 600 T CB 1.073 69.688 68.868 -0.422 0.000 0.930 600 T HN -0.173 7.955 8.240 -0.185 0.000 0.447 601 A N 6.286 128.823 122.820 -0.470 0.000 2.276 601 A HA 0.651 4.968 4.320 -0.241 -0.142 0.316 601 A C -2.081 175.341 177.584 -0.270 0.000 1.229 601 A CA -2.155 49.687 52.037 -0.325 0.000 0.851 601 A CB 2.209 21.034 19.000 -0.292 0.000 1.165 601 A HN 0.338 8.267 8.150 -0.369 0.000 0.513 602 F N 3.110 123.228 119.950 0.280 0.000 2.350 602 F HA -0.019 4.587 4.527 0.131 0.000 0.365 602 F C 0.178 176.131 175.800 0.256 0.000 1.122 602 F CA -0.691 57.425 58.000 0.195 0.000 1.139 602 F CB 0.565 39.636 39.000 0.119 0.000 1.220 602 F HN -0.336 8.086 8.300 0.203 0.000 0.499 603 G N 6.242 115.241 108.800 0.333 0.000 2.460 603 G HA2 -0.356 3.824 3.960 0.194 0.000 0.259 603 G HA3 -0.356 3.747 3.960 0.239 0.000 0.259 603 G C -1.707 173.418 174.900 0.376 0.000 0.959 603 G CA 0.361 45.621 45.100 0.265 0.000 1.330 603 G HN -0.152 8.304 8.290 0.276 0.000 0.451 604 L N 3.289 124.652 121.223 0.235 0.000 2.379 604 L HA 0.299 4.854 4.340 0.358 0.000 0.190 604 L C 0.085 177.031 176.870 0.126 0.000 1.111 604 L CA 0.886 55.809 54.840 0.139 0.000 0.820 604 L CB 1.238 43.193 42.059 -0.173 0.000 1.046 604 L HN -0.632 7.684 8.230 0.144 0.000 0.485 605 G N -2.002 106.838 108.800 0.067 0.000 2.546 605 G HA2 0.070 4.060 3.960 0.050 0.000 0.239 605 G HA3 0.070 4.051 3.960 0.035 0.000 0.239 605 G C 0.925 175.858 174.900 0.055 0.000 1.476 605 G CA -0.357 44.774 45.100 0.051 0.000 1.064 605 G HN -0.218 8.103 8.290 0.051 0.000 0.561 606 K N -1.149 119.268 120.400 0.028 0.000 2.366 606 K HA -0.069 4.265 4.320 0.024 0.000 0.198 606 K C 0.887 177.504 176.600 0.028 0.000 1.044 606 K CA 1.035 57.335 56.287 0.021 0.000 0.973 606 K CB -0.150 32.352 32.500 0.002 0.000 0.767 606 K HN 0.127 8.388 8.250 0.018 0.000 0.475 607 E N -0.561 119.658 120.200 0.032 0.000 2.444 607 E HA 0.002 4.368 4.350 0.026 0.000 0.191 607 E C -1.112 175.514 176.600 0.044 0.000 1.041 607 E CA -0.881 55.538 56.400 0.031 0.000 0.883 607 E CB -0.195 29.519 29.700 0.024 0.000 1.024 607 E HN -0.403 7.932 8.360 0.033 0.044 0.470 608 D N -1.801 118.636 120.400 0.061 0.000 2.955 608 D HA -0.339 4.361 4.640 0.101 0.000 0.226 608 D C -1.522 174.829 176.300 0.086 0.000 1.178 608 D CA 1.301 55.349 54.000 0.080 0.000 0.808 608 D CB -0.769 40.068 40.800 0.061 0.000 1.099 608 D HN -0.337 8.015 8.370 0.065 0.058 0.421 609 A N -2.677 120.187 122.820 0.073 0.000 2.271 609 A HA 0.136 4.496 4.320 0.067 0.000 0.288 609 A C -1.471 176.159 177.584 0.078 0.000 1.094 609 A CA -0.151 51.925 52.037 0.065 0.000 0.828 609 A CB 1.636 20.659 19.000 0.038 0.000 1.091 609 A HN -0.163 7.992 8.150 0.064 0.033 0.493 610 V N -3.080 116.879 119.914 0.074 0.000 2.547 610 V HA 1.033 5.383 4.120 0.052 -0.198 0.299 610 V C -0.595 175.493 176.094 -0.009 0.000 1.040 610 V CA -2.278 60.057 62.300 0.059 0.000 0.913 610 V CB 1.392 33.297 31.823 0.137 0.000 0.992 610 V HN -0.151 8.081 8.190 0.070 0.000 0.449 611 L N -0.271 120.907 121.223 -0.075 0.000 2.710 611 L HA 0.511 4.807 4.340 -0.073 0.000 0.260 611 L C -1.582 175.193 176.870 -0.158 0.000 0.993 611 L CA -0.954 53.832 54.840 -0.091 0.000 0.877 611 L CB 3.421 45.444 42.059 -0.061 0.000 1.461 611 L HN 0.093 8.253 8.230 -0.115 0.000 0.413 612 K N 1.062 121.359 120.400 -0.171 0.000 2.298 612 K HA 0.563 4.875 4.320 -0.314 -0.180 0.280 612 K C 0.381 176.862 176.600 -0.198 0.000 1.032 612 K CA -0.262 55.851 56.287 -0.289 0.000 0.958 612 K CB 0.063 32.257 32.500 -0.510 0.000 0.978 612 K HN 0.119 8.288 8.250 -0.135 0.000 0.472 613 V N -3.867 115.915 119.914 -0.220 0.000 3.130 613 V HA 0.507 4.613 4.120 -0.023 0.000 0.310 613 V C -2.552 173.488 176.094 -0.091 0.000 1.158 613 V CA -3.064 59.172 62.300 -0.106 0.000 1.029 613 V CB 4.440 36.179 31.823 -0.140 0.000 1.057 613 V HN 0.484 8.508 8.190 -0.277 0.000 0.436 614 A N -0.087 122.713 122.820 -0.033 0.000 2.303 614 A HA 0.646 5.071 4.320 -0.071 -0.147 0.320 614 A C -1.592 175.931 177.584 -0.101 0.000 1.192 614 A CA -2.075 49.930 52.037 -0.053 0.000 0.821 614 A CB 2.088 21.073 19.000 -0.025 0.000 1.188 614 A HN 0.182 8.318 8.150 -0.023 0.000 0.492 615 V N 5.314 125.138 119.914 -0.150 0.000 2.357 615 V HA 0.478 4.712 4.120 -0.112 -0.181 0.284 615 V C -0.435 175.562 176.094 -0.162 0.000 1.018 615 V CA -1.514 60.694 62.300 -0.154 0.000 0.841 615 V CB 1.371 33.078 31.823 -0.193 0.000 0.991 615 V HN 0.556 8.635 8.190 -0.185 0.000 0.437 616 K N 7.958 128.289 120.400 -0.114 0.000 2.174 616 K HA 0.409 4.799 4.320 -0.114 -0.138 0.275 616 K C -0.620 175.920 176.600 -0.100 0.000 1.015 616 K CA -0.383 55.841 56.287 -0.105 0.000 0.933 616 K CB 1.635 34.085 32.500 -0.084 0.000 1.025 616 K HN 0.622 8.813 8.250 -0.099 0.000 0.463 617 M N -1.719 117.817 119.600 -0.106 0.000 2.643 617 M HA 0.440 4.875 4.480 -0.075 0.000 0.276 617 M C -2.579 173.658 176.300 -0.105 0.000 1.200 617 M CA -0.058 55.190 55.300 -0.086 0.000 0.863 617 M CB 4.024 36.591 32.600 -0.055 0.000 1.711 617 M HN -0.015 8.205 8.290 -0.116 0.000 0.492 618 L N -0.732 120.434 121.223 -0.096 0.000 2.375 618 L HA 0.361 4.732 4.340 -0.143 -0.116 0.268 618 L C 0.477 177.298 176.870 -0.081 0.000 1.058 618 L CA -1.249 53.523 54.840 -0.113 0.000 0.803 618 L CB 1.245 43.236 42.059 -0.114 0.000 1.212 618 L HN 0.462 8.646 8.230 -0.077 0.000 0.451 619 K N 0.670 121.017 120.400 -0.088 0.000 2.414 619 K HA -0.135 4.149 4.320 -0.060 0.000 0.272 619 K C 1.343 177.901 176.600 -0.070 0.000 0.993 619 K CA 0.931 57.173 56.287 -0.075 0.000 0.964 619 K CB 0.511 32.956 32.500 -0.091 0.000 0.925 619 K HN -0.238 7.953 8.250 -0.098 0.000 0.487 620 S N 1.455 117.126 115.700 -0.049 0.000 2.547 620 S HA -0.181 4.268 4.470 -0.036 0.000 0.235 620 S C 0.583 175.149 174.600 -0.057 0.000 0.980 620 S CA 2.014 60.190 58.200 -0.040 0.000 0.941 620 S CB 0.062 63.250 63.200 -0.021 0.000 0.763 620 S HN 0.561 8.847 8.310 -0.040 0.000 0.532 621 T N 0.542 115.044 114.554 -0.085 0.000 3.107 621 T HA 0.028 4.330 4.350 -0.079 0.000 0.249 621 T C -0.459 174.096 174.700 -0.242 0.000 1.096 621 T CA -0.296 61.735 62.100 -0.116 0.000 1.012 621 T CB 0.184 68.993 68.868 -0.098 0.000 0.977 621 T HN -0.496 7.614 8.240 -0.089 0.076 0.527 622 A N 2.916 125.603 122.820 -0.221 0.000 2.540 622 A HA -0.197 3.866 4.320 -0.429 0.000 0.239 622 A C -1.178 176.246 177.584 -0.265 0.000 1.061 622 A CA 0.601 52.463 52.037 -0.291 0.000 0.758 622 A CB 0.814 19.732 19.000 -0.137 0.000 0.991 622 A HN -0.665 7.240 8.150 -0.152 0.154 0.502 623 H N 2.823 121.915 119.070 0.036 0.000 2.509 623 H HA -0.060 4.509 4.556 0.022 0.000 0.360 623 H C 1.243 176.584 175.328 0.022 0.000 1.398 623 H CA -0.600 55.465 56.048 0.029 0.000 1.429 623 H CB 1.559 31.342 29.762 0.036 0.000 1.611 623 H HN 0.148 8.089 8.280 -0.564 0.000 0.606 624 A N -0.253 122.661 122.820 0.157 0.000 1.865 624 A HA -0.326 4.028 4.320 0.057 0.000 0.217 624 A C 1.542 179.165 177.584 0.065 0.000 1.191 624 A CA 3.848 55.932 52.037 0.078 0.000 0.623 624 A CB -0.648 18.386 19.000 0.057 0.000 0.826 624 A HN 0.492 8.748 8.150 0.177 0.000 0.444 625 D N -3.948 116.497 120.400 0.076 0.000 2.149 625 D HA -0.322 4.332 4.640 0.025 0.000 0.198 625 D C 2.023 178.352 176.300 0.047 0.000 0.990 625 D CA 3.007 57.034 54.000 0.046 0.000 0.839 625 D CB -1.242 39.581 40.800 0.039 0.000 0.948 625 D HN 0.424 8.850 8.370 0.093 0.000 0.460 626 E N -0.846 119.407 120.200 0.089 0.000 2.216 626 E HA -0.196 4.234 4.350 0.134 0.000 0.192 626 E C 2.159 178.816 176.600 0.095 0.000 0.988 626 E CA 1.943 58.414 56.400 0.119 0.000 0.834 626 E CB -0.224 29.552 29.700 0.127 0.000 0.772 626 E HN -0.345 8.069 8.360 0.118 0.017 0.479 627 K N -0.581 119.844 120.400 0.043 0.000 2.155 627 K HA -0.262 4.061 4.320 0.005 0.000 0.203 627 K C 2.198 178.800 176.600 0.003 0.000 1.052 627 K CA 3.091 59.384 56.287 0.011 0.000 0.948 627 K CB -0.229 32.268 32.500 -0.005 0.000 0.728 627 K HN -0.609 7.667 8.250 0.042 0.000 0.448 628 E N -0.181 120.022 120.200 0.006 0.000 2.072 628 E HA -0.304 4.036 4.350 -0.017 0.000 0.191 628 E C 2.080 178.663 176.600 -0.030 0.000 0.985 628 E CA 2.893 59.285 56.400 -0.013 0.000 0.801 628 E CB -0.028 29.665 29.700 -0.012 0.000 0.750 628 E HN -0.612 7.648 8.360 0.015 0.109 0.452 629 A N -1.009 121.792 122.820 -0.031 0.000 1.969 629 A HA -0.185 4.053 4.320 -0.136 0.000 0.218 629 A C 2.064 179.614 177.584 -0.056 0.000 1.169 629 A CA 2.872 54.846 52.037 -0.105 0.000 0.635 629 A CB -0.636 18.224 19.000 -0.234 0.000 0.810 629 A HN -0.423 7.638 8.150 -0.006 0.084 0.445 630 L N -0.591 120.667 121.223 0.058 0.000 2.056 630 L HA -0.225 4.168 4.340 0.090 0.000 0.207 630 L C 1.613 178.459 176.870 -0.040 0.000 1.078 630 L CA 2.867 57.737 54.840 0.050 0.000 0.749 630 L CB -0.005 42.075 42.059 0.036 0.000 0.901 630 L HN -0.672 7.606 8.230 0.080 0.000 0.433 631 M N -1.923 117.647 119.600 -0.051 0.000 2.213 631 M HA -0.341 4.080 4.480 -0.098 0.000 0.263 631 M C 2.554 178.826 176.300 -0.048 0.000 1.062 631 M CA 2.001 57.260 55.300 -0.068 0.000 1.105 631 M CB -1.565 30.999 32.600 -0.060 0.000 1.385 631 M HN -0.380 7.887 8.290 -0.038 0.000 0.417 632 S N -0.180 115.489 115.700 -0.052 0.000 2.383 632 S HA -0.260 4.191 4.470 -0.030 0.000 0.227 632 S C 2.272 176.834 174.600 -0.063 0.000 1.026 632 S CA 3.691 61.859 58.200 -0.052 0.000 0.981 632 S CB -0.772 62.383 63.200 -0.075 0.000 0.818 632 S HN -0.207 7.966 8.310 -0.057 0.103 0.472 633 E N 2.252 122.393 120.200 -0.099 0.000 2.106 633 E HA -0.261 4.009 4.350 -0.133 0.000 0.192 633 E C 2.031 178.559 176.600 -0.121 0.000 0.984 633 E CA 2.804 59.123 56.400 -0.135 0.000 0.806 633 E CB -0.002 29.591 29.700 -0.179 0.000 0.750 633 E HN -0.738 7.561 8.360 -0.101 0.000 0.458 634 L N -0.347 120.814 121.223 -0.104 0.000 2.012 634 L HA -0.303 3.943 4.340 -0.156 0.000 0.210 634 L C 1.901 178.740 176.870 -0.050 0.000 1.073 634 L CA 3.251 58.025 54.840 -0.109 0.000 0.748 634 L CB -0.171 41.822 42.059 -0.110 0.000 0.891 634 L HN -0.350 7.822 8.230 -0.096 0.000 0.431 635 K N -1.779 118.630 120.400 0.015 0.000 2.097 635 K HA -0.304 4.094 4.320 0.130 0.000 0.205 635 K C 2.691 179.345 176.600 0.089 0.000 1.050 635 K CA 3.209 59.545 56.287 0.081 0.000 0.938 635 K CB -0.099 32.447 32.500 0.078 0.000 0.718 635 K HN -0.510 7.741 8.250 0.001 0.000 0.442 636 I N 0.226 120.832 120.570 0.060 0.000 2.233 636 I HA -0.535 3.732 4.170 0.161 0.000 0.243 636 I C 1.510 177.725 176.117 0.164 0.000 1.093 636 I CA 4.137 65.514 61.300 0.128 0.000 1.380 636 I CB 0.104 38.176 38.000 0.120 0.000 1.067 636 I HN -0.621 7.602 8.210 0.022 0.000 0.413 637 M N -1.498 118.131 119.600 0.049 0.000 2.149 637 M HA -0.563 3.989 4.480 0.119 0.000 0.261 637 M C 2.015 178.314 176.300 -0.000 0.000 1.064 637 M CA 4.370 59.678 55.300 0.013 0.000 1.102 637 M CB -0.253 32.256 32.600 -0.152 0.000 1.369 637 M HN -0.386 7.893 8.290 -0.018 0.000 0.408 638 S N -3.041 112.627 115.700 -0.054 0.000 2.402 638 S HA -0.318 4.121 4.470 -0.052 0.000 0.229 638 S C 1.096 175.859 174.600 0.271 0.000 1.021 638 S CA 2.117 60.343 58.200 0.042 0.000 0.974 638 S CB 0.076 63.304 63.200 0.046 0.000 0.800 638 S HN -0.538 7.725 8.310 -0.064 0.008 0.484 639 H N 1.521 120.681 119.070 0.149 0.000 2.436 639 H HA -0.069 4.588 4.556 0.167 0.000 0.294 639 H C 1.716 177.141 175.328 0.162 0.000 1.048 639 H CA 2.641 58.781 56.048 0.153 0.000 1.353 639 H CB 0.283 30.113 29.762 0.113 0.000 1.414 639 H HN -0.831 7.501 8.280 0.298 0.127 0.536 640 L N -3.191 118.092 121.223 0.100 0.000 2.156 640 L HA -0.249 4.035 4.340 -0.095 0.000 0.208 640 L C -0.083 176.914 176.870 0.212 0.000 1.095 640 L CA 1.004 55.891 54.840 0.077 0.000 0.770 640 L CB 0.203 42.412 42.059 0.250 0.000 0.914 640 L HN -0.613 7.741 8.230 0.207 0.000 0.439 641 G N -3.702 105.256 108.800 0.263 0.000 2.760 641 G HA2 -0.394 3.749 3.960 0.304 0.000 0.246 641 G HA3 -0.394 3.754 3.960 0.314 0.000 0.246 641 G C -1.862 173.241 174.900 0.338 0.000 1.359 641 G CA -0.662 44.629 45.100 0.317 0.000 0.861 641 G HN -0.909 7.525 8.290 0.241 0.000 0.541 642 Q N 1.165 121.098 119.800 0.221 0.000 2.222 642 Q HA 0.281 4.884 4.340 0.110 -0.197 0.252 642 Q C -1.043 174.875 176.000 -0.137 0.000 0.926 642 Q CA -0.673 55.182 55.803 0.087 0.000 0.899 642 Q CB 1.809 30.599 28.738 0.088 0.000 1.250 642 Q HN 0.125 8.519 8.270 0.207 0.000 0.441 643 H N 2.741 121.597 119.070 -0.357 0.000 3.046 643 H HA 0.195 4.461 4.556 -0.484 0.000 0.361 643 H C 0.189 175.369 175.328 -0.247 0.000 1.235 643 H CA -0.708 55.014 56.048 -0.543 0.000 1.146 643 H CB 3.946 32.963 29.762 -1.241 0.000 1.859 643 H HN -0.094 8.383 8.280 -0.082 -0.246 0.548 644 E N 4.174 124.017 120.200 -0.594 0.000 2.204 644 E HA -0.216 4.035 4.350 -0.166 0.000 0.194 644 E C -0.036 176.542 176.600 -0.037 0.000 0.989 644 E CA 2.537 58.782 56.400 -0.258 0.000 0.824 644 E CB 0.017 29.545 29.700 -0.286 0.000 0.756 644 E HN 0.571 8.243 8.360 -1.146 0.000 0.477 645 N N -0.352 118.448 118.700 0.167 0.000 2.321 645 N HA 0.278 5.229 4.740 0.129 -0.133 0.242 645 N C -1.658 173.974 175.510 0.204 0.000 1.141 645 N CA -0.253 52.919 53.050 0.202 0.000 0.864 645 N CB 1.131 39.750 38.487 0.220 0.000 1.100 645 N HN -0.568 8.043 8.380 0.424 0.023 0.510 646 I N -6.747 113.941 120.570 0.197 0.000 2.892 646 I HA 0.814 5.381 4.170 0.246 -0.249 0.306 646 I C -2.076 174.154 176.117 0.189 0.000 1.078 646 I CA -2.597 58.838 61.300 0.226 0.000 1.032 646 I CB 4.198 42.377 38.000 0.297 0.000 1.229 646 I HN -0.778 7.538 8.210 0.177 0.000 0.435 647 V N 2.974 123.026 119.914 0.230 0.000 2.397 647 V HA -0.199 4.128 4.120 0.118 -0.136 0.262 647 V C -0.503 175.659 176.094 0.113 0.000 1.047 647 V CA 0.348 62.748 62.300 0.167 0.000 1.003 647 V CB -0.708 31.267 31.823 0.253 0.000 1.037 647 V HN -0.371 7.995 8.190 0.294 0.000 0.480 648 N N 7.503 126.247 118.700 0.072 0.000 2.530 648 N HA -0.021 4.763 4.740 0.074 0.000 0.277 648 N C -1.300 174.202 175.510 -0.014 0.000 1.168 648 N CA -0.687 52.394 53.050 0.051 0.000 0.979 648 N CB 1.194 39.719 38.487 0.063 0.000 1.141 648 N HN -0.430 8.269 8.380 0.061 -0.282 0.459 649 L N 2.297 123.468 121.223 -0.086 0.000 2.416 649 L HA -0.051 4.174 4.340 -0.192 0.000 0.272 649 L C -0.371 176.431 176.870 -0.113 0.000 1.161 649 L CA 1.074 55.776 54.840 -0.228 0.000 0.845 649 L CB 0.675 42.409 42.059 -0.541 0.000 1.119 649 L HN 0.396 8.579 8.230 -0.078 0.000 0.464 650 L N 3.065 124.264 121.223 -0.040 0.000 2.717 650 L HA 0.450 4.946 4.340 0.260 0.000 0.239 650 L C -0.416 176.610 176.870 0.259 0.000 1.086 650 L CA -0.206 54.712 54.840 0.130 0.000 0.897 650 L CB 1.159 43.217 42.059 -0.002 0.000 1.214 650 L HN 0.744 8.922 8.230 -0.087 0.000 0.508 651 G N -5.749 103.146 108.800 0.158 0.000 2.315 651 G HA2 0.133 4.563 3.960 0.618 0.000 0.294 651 G HA3 0.133 4.225 3.960 0.221 0.000 0.294 651 G C -3.364 171.638 174.900 0.169 0.000 1.300 651 G CA 0.654 45.936 45.100 0.303 0.000 0.843 651 G HN -0.831 7.462 8.290 0.005 0.000 0.527 652 A N -2.696 120.292 122.820 0.281 0.000 2.589 652 A HA 0.893 5.411 4.320 0.087 -0.146 0.296 652 A C -2.447 175.260 177.584 0.205 0.000 1.062 652 A CA -0.495 51.640 52.037 0.162 0.000 0.686 652 A CB 3.862 22.898 19.000 0.060 0.000 1.282 652 A HN -0.038 8.350 8.150 0.396 0.000 0.404 653 C N 2.023 121.392 119.300 0.115 0.000 2.264 653 C HA 0.514 5.205 4.460 0.158 -0.136 0.322 653 C C 0.768 175.750 174.990 -0.015 0.000 1.210 653 C CA -2.081 57.002 59.018 0.109 0.000 1.539 653 C CB 0.143 27.966 27.740 0.138 0.000 2.167 653 C HN 0.261 8.535 8.230 0.074 0.000 0.463 654 T N 2.960 117.465 114.554 -0.081 0.000 2.990 654 T HA 0.084 4.298 4.350 -0.227 0.000 0.250 654 T C 0.121 174.648 174.700 -0.289 0.000 1.041 654 T CA -0.134 61.808 62.100 -0.263 0.000 1.010 654 T CB 1.063 69.628 68.868 -0.506 0.000 1.003 654 T HN 0.230 8.744 8.240 -0.009 -0.280 0.499 655 H N 1.716 120.800 119.070 0.022 0.000 2.499 655 H HA 0.199 4.768 4.556 0.022 0.000 0.340 655 H C 0.832 176.172 175.328 0.021 0.000 1.148 655 H CA 0.182 56.247 56.048 0.028 0.000 1.215 655 H CB 1.911 31.702 29.762 0.048 0.000 1.529 655 H HN -0.844 7.652 8.280 0.100 -0.157 0.510 656 G N 2.419 111.308 108.800 0.148 0.000 2.385 656 G HA2 -0.383 3.618 3.960 0.069 0.000 0.294 656 G HA3 -0.383 3.622 3.960 0.075 0.000 0.294 656 G C -1.187 173.740 174.900 0.045 0.000 1.070 656 G CA 0.267 45.414 45.100 0.079 0.000 1.172 656 G HN 0.568 8.958 8.290 0.168 0.000 0.516 657 G N -0.593 108.225 108.800 0.030 0.000 2.331 657 G HA2 -0.168 3.799 3.960 0.011 0.000 0.479 657 G HA3 -0.168 3.802 3.960 0.016 0.000 0.479 657 G C -2.720 172.181 174.900 0.001 0.000 1.262 657 G CA -0.752 44.357 45.100 0.014 0.000 1.029 657 G HN -0.391 7.918 8.290 0.031 0.000 0.487 658 P HA 0.182 4.590 4.420 -0.021 0.000 0.274 658 P C -1.013 176.276 177.300 -0.018 0.000 1.231 658 P CA -0.558 62.537 63.100 -0.009 0.000 0.790 658 P CB 0.738 32.440 31.700 0.005 0.000 0.951 659 V N 1.951 121.836 119.914 -0.048 0.000 2.585 659 V HA 0.043 4.341 4.120 -0.085 -0.229 0.296 659 V C -0.296 175.772 176.094 -0.042 0.000 1.035 659 V CA 0.525 62.781 62.300 -0.074 0.000 1.084 659 V CB 0.208 31.964 31.823 -0.112 0.000 0.953 659 V HN 0.083 8.241 8.190 -0.054 0.000 0.483 660 L N 6.315 127.523 121.223 -0.025 0.000 2.362 660 L HA 0.660 5.159 4.340 -0.018 -0.170 0.275 660 L C -0.818 176.035 176.870 -0.029 0.000 0.998 660 L CA -1.646 53.192 54.840 -0.003 0.000 0.820 660 L CB 2.799 44.901 42.059 0.072 0.000 1.270 660 L HN -0.218 7.995 8.230 -0.028 0.000 0.415 661 V N 3.743 123.623 119.914 -0.056 0.000 2.370 661 V HA 0.227 4.301 4.120 -0.076 0.000 0.283 661 V C -1.081 174.968 176.094 -0.075 0.000 1.023 661 V CA -0.700 61.553 62.300 -0.078 0.000 0.857 661 V CB 1.407 33.167 31.823 -0.105 0.000 0.985 661 V HN 0.217 8.370 8.190 -0.062 0.000 0.443 662 I N 8.653 129.181 120.570 -0.070 0.000 2.312 662 I HA 0.506 4.777 4.170 -0.083 -0.151 0.290 662 I C -0.526 175.535 176.117 -0.093 0.000 1.008 662 I CA -0.942 60.308 61.300 -0.083 0.000 1.226 662 I CB 0.330 38.268 38.000 -0.103 0.000 1.371 662 I HN 0.402 8.575 8.210 -0.061 0.000 0.468 663 T N 4.811 119.316 114.554 -0.082 0.000 2.888 663 T HA 0.701 5.142 4.350 -0.068 -0.132 0.288 663 T C -0.347 174.329 174.700 -0.040 0.000 1.063 663 T CA -3.061 59.001 62.100 -0.063 0.000 1.010 663 T CB 3.166 72.001 68.868 -0.055 0.000 1.214 663 T HN 0.674 8.866 8.240 -0.079 0.000 0.533 664 E N 0.559 120.746 120.200 -0.021 0.000 2.414 664 E HA -0.150 4.199 4.350 -0.002 0.000 0.263 664 E C -0.903 175.695 176.600 -0.003 0.000 1.000 664 E CA 0.919 57.314 56.400 -0.008 0.000 0.914 664 E CB 0.588 30.283 29.700 -0.007 0.000 0.948 664 E HN -0.208 8.144 8.360 -0.014 0.000 0.444 665 Y N 5.486 125.715 120.300 -0.119 0.000 2.316 665 Y HA -0.031 4.423 4.550 -0.159 0.000 0.331 665 Y C -1.296 174.516 175.900 -0.146 0.000 1.083 665 Y CA 1.129 59.143 58.100 -0.143 0.000 1.206 665 Y CB 0.825 39.200 38.460 -0.142 0.000 1.195 665 Y HN 0.078 8.432 8.280 0.124 0.000 0.497 666 C N 6.906 125.779 119.300 -0.712 0.000 2.291 666 C HA 0.382 4.589 4.460 -0.422 0.000 0.322 666 C C 0.633 175.134 174.990 -0.815 0.000 1.205 666 C CA -1.891 56.782 59.018 -0.574 0.000 1.495 666 C CB 1.622 29.150 27.740 -0.353 0.000 2.127 666 C HN 0.423 8.163 8.230 -0.818 0.000 0.452 667 C N 7.350 126.201 119.300 -0.749 0.000 2.419 667 C HA -0.271 3.694 4.460 -0.825 0.000 0.281 667 C C 0.574 175.226 174.990 -0.563 0.000 1.336 667 C CA 1.589 60.175 59.018 -0.721 0.000 1.770 667 C CB -0.042 27.335 27.740 -0.605 0.000 1.929 667 C HN 1.147 9.024 8.230 -0.589 0.000 0.509 668 Y N 0.132 120.281 120.300 -0.252 0.000 2.466 668 Y HA -0.149 4.360 4.550 -0.069 0.000 0.272 668 Y C 0.757 176.594 175.900 -0.105 0.000 1.169 668 Y CA 0.349 58.367 58.100 -0.138 0.000 1.285 668 Y CB 0.295 38.654 38.460 -0.168 0.000 1.078 668 Y HN -0.631 7.385 8.280 -0.394 0.028 0.523 669 G N 0.325 109.066 108.800 -0.099 0.000 2.632 669 G HA2 -0.423 3.426 3.960 -0.186 0.000 0.224 669 G HA3 -0.423 3.518 3.960 -0.032 0.000 0.224 669 G C -2.470 172.380 174.900 -0.083 0.000 1.341 669 G CA -0.889 44.150 45.100 -0.102 0.000 0.880 669 G HN -0.476 7.634 8.290 -0.228 0.044 0.566 670 D N -0.994 119.379 120.400 -0.045 0.000 2.313 670 D HA 0.227 4.986 4.640 -0.037 -0.142 0.247 670 D C 0.871 177.184 176.300 0.022 0.000 1.094 670 D CA -1.063 52.931 54.000 -0.011 0.000 0.925 670 D CB 1.165 41.989 40.800 0.039 0.000 1.188 670 D HN -0.082 8.270 8.370 -0.029 0.000 0.430 671 L N 0.631 121.846 121.223 -0.012 0.000 2.083 671 L HA -0.158 4.088 4.340 -0.157 0.000 0.209 671 L C 1.002 177.900 176.870 0.048 0.000 1.083 671 L CA 2.768 57.564 54.840 -0.074 0.000 0.752 671 L CB 0.083 42.050 42.059 -0.153 0.000 0.899 671 L HN 0.352 8.584 8.230 0.004 0.000 0.433 672 L N -1.112 120.160 121.223 0.081 0.000 2.017 672 L HA -0.433 3.973 4.340 0.111 0.000 0.208 672 L C 1.556 178.489 176.870 0.105 0.000 1.073 672 L CA 3.353 58.258 54.840 0.108 0.000 0.745 672 L CB -0.786 41.350 42.059 0.129 0.000 0.894 672 L HN -0.407 7.989 8.230 0.083 -0.116 0.432 673 N N -1.150 117.612 118.700 0.104 0.000 2.069 673 N HA -0.392 4.390 4.740 0.070 0.000 0.191 673 N C 2.408 177.976 175.510 0.096 0.000 1.031 673 N CA 2.977 56.081 53.050 0.090 0.000 0.852 673 N CB -0.299 38.239 38.487 0.085 0.000 1.018 673 N HN -0.500 8.228 8.380 0.101 -0.287 0.423 674 F N 1.090 121.032 119.950 -0.013 0.000 2.171 674 F HA -0.349 4.174 4.527 -0.006 0.000 0.300 674 F C 1.284 177.069 175.800 -0.025 0.000 1.090 674 F CA 3.167 61.156 58.000 -0.019 0.000 1.293 674 F CB 0.316 39.295 39.000 -0.036 0.000 1.013 674 F HN -0.797 7.665 8.300 0.270 0.000 0.486 675 L N -2.949 118.361 121.223 0.144 0.000 2.017 675 L HA -0.371 4.001 4.340 0.052 0.000 0.208 675 L C 2.665 179.492 176.870 -0.071 0.000 1.073 675 L CA 2.769 57.633 54.840 0.040 0.000 0.745 675 L CB -0.877 41.221 42.059 0.066 0.000 0.894 675 L HN -0.266 8.083 8.230 0.198 0.000 0.432 676 R N -2.509 117.970 120.500 -0.035 0.000 2.189 676 R HA -0.220 4.097 4.340 -0.037 0.000 0.223 676 R C 2.046 178.293 176.300 -0.087 0.000 1.092 676 R CA 2.711 58.787 56.100 -0.040 0.000 0.989 676 R CB -0.169 30.135 30.300 0.007 0.000 0.876 676 R HN -0.694 7.578 8.270 0.004 0.000 0.457 677 R N -4.051 116.361 120.500 -0.147 0.000 2.300 677 R HA -0.049 4.217 4.340 -0.123 0.000 0.199 677 R C 0.821 176.975 176.300 -0.243 0.000 0.920 677 R CA 1.156 57.150 56.100 -0.177 0.000 1.046 677 R CB 0.183 30.369 30.300 -0.189 0.000 0.984 677 R HN -0.702 7.434 8.270 -0.169 0.033 0.493 678 K N -1.882 118.344 120.400 -0.290 0.000 2.514 678 K HA 0.194 4.344 4.320 -0.282 0.000 0.207 678 K C -0.842 175.613 176.600 -0.242 0.000 1.035 678 K CA -1.384 54.722 56.287 -0.302 0.000 1.113 678 K CB 0.163 32.418 32.500 -0.407 0.000 0.846 678 K HN -0.702 7.336 8.250 -0.274 0.047 0.491 679 R N 0.822 121.205 120.500 -0.195 0.000 2.594 679 R HA 0.094 4.275 4.340 -0.265 0.000 0.272 679 R C -1.582 174.634 176.300 -0.141 0.000 1.074 679 R CA -0.870 55.119 56.100 -0.185 0.000 1.105 679 R CB -0.194 30.040 30.300 -0.109 0.000 1.008 679 R HN -0.474 7.635 8.270 -0.169 0.059 0.472 680 P HA 0.229 4.618 4.420 -0.052 0.000 0.276 680 P C -2.333 174.973 177.300 0.009 0.000 1.244 680 P CA -1.512 61.564 63.100 -0.039 0.000 0.801 680 P CB -0.393 31.322 31.700 0.026 0.000 1.006 681 P HA -0.160 4.263 4.420 0.005 0.000 0.259 681 P C -0.479 176.842 177.300 0.035 0.000 1.163 681 P CA 0.502 63.612 63.100 0.015 0.000 0.760 681 P CB -0.084 31.623 31.700 0.012 0.000 0.762 697 L N -0.514 120.610 121.223 -0.166 0.000 2.635 697 L HA 0.206 4.457 4.340 -0.148 0.000 0.250 697 L C -0.399 176.372 176.870 -0.165 0.000 1.117 697 L CA -0.302 54.439 54.840 -0.164 0.000 0.834 697 L CB 1.504 43.456 42.059 -0.178 0.000 1.544 697 L HN 0.136 8.263 8.230 -0.172 0.000 0.511 698 S N -2.770 112.821 115.700 -0.182 0.000 2.633 698 S HA 0.049 4.447 4.470 -0.121 0.000 0.271 698 S C -2.101 172.408 174.600 -0.152 0.000 1.112 698 S CA -0.749 57.359 58.200 -0.153 0.000 0.828 698 S CB 0.861 63.967 63.200 -0.156 0.000 1.086 698 S HN -0.015 8.175 8.310 -0.200 0.000 0.461 754 D N 0.831 120.967 120.400 -0.439 0.000 2.144 754 D HA -0.165 3.960 4.640 -0.858 0.000 0.200 754 D C 1.752 177.570 176.300 -0.804 0.000 0.978 754 D CA 2.933 56.506 54.000 -0.711 0.000 0.833 754 D CB 0.009 40.406 40.800 -0.671 0.000 0.961 754 D HN 0.005 8.153 8.370 -0.371 0.000 0.470 755 L N -1.169 119.745 121.223 -0.515 0.000 2.131 755 L HA -0.267 3.799 4.340 -0.457 0.000 0.210 755 L C 2.193 178.947 176.870 -0.193 0.000 1.092 755 L CA 2.745 57.306 54.840 -0.465 0.000 0.759 755 L CB -0.339 41.329 42.059 -0.653 0.000 0.903 755 L HN -0.770 7.226 8.230 -0.390 0.000 0.435 756 L N -1.125 120.110 121.223 0.019 0.000 2.156 756 L HA -0.291 4.243 4.340 0.324 0.000 0.208 756 L C 1.801 178.783 176.870 0.188 0.000 1.095 756 L CA 2.999 57.965 54.840 0.210 0.000 0.770 756 L CB -0.978 41.205 42.059 0.207 0.000 0.914 756 L HN -0.776 7.436 8.230 -0.012 0.010 0.439 757 H N -0.126 118.884 119.070 -0.100 0.000 2.321 757 H HA -0.332 4.225 4.556 0.002 0.000 0.300 757 H C 2.414 177.796 175.328 0.090 0.000 1.087 757 H CA 4.490 60.501 56.048 -0.061 0.000 1.319 757 H CB -0.120 29.533 29.762 -0.181 0.000 1.379 757 H HN -0.348 7.945 8.280 0.179 0.094 0.501 758 F N -0.353 119.684 119.950 0.146 0.000 2.102 758 F HA -0.341 4.238 4.527 0.086 0.000 0.298 758 F C 2.389 178.267 175.800 0.130 0.000 1.105 758 F CA 2.478 60.530 58.000 0.087 0.000 1.239 758 F CB 0.038 39.043 39.000 0.009 0.000 0.991 758 F HN -0.113 8.122 8.300 -0.109 0.000 0.474 759 S N -1.355 114.558 115.700 0.354 0.000 2.368 759 S HA -0.317 4.373 4.470 0.367 0.000 0.225 759 S C 2.297 177.126 174.600 0.383 0.000 1.030 759 S CA 3.461 61.885 58.200 0.373 0.000 0.999 759 S CB -0.771 62.677 63.200 0.414 0.000 0.844 759 S HN -0.330 8.164 8.310 0.307 0.000 0.459 760 S N 2.615 118.476 115.700 0.269 0.000 2.355 760 S HA -0.266 4.323 4.470 0.198 0.000 0.222 760 S C 1.980 176.682 174.600 0.170 0.000 1.031 760 S CA 3.385 61.697 58.200 0.186 0.000 0.993 760 S CB -0.341 62.907 63.200 0.081 0.000 0.859 760 S HN -0.509 7.945 8.310 0.241 0.000 0.453 761 Q N 1.726 121.636 119.800 0.184 0.000 2.119 761 Q HA -0.255 4.167 4.340 0.136 0.000 0.201 761 Q C 2.630 178.730 176.000 0.165 0.000 0.972 761 Q CA 3.260 59.162 55.803 0.165 0.000 0.847 761 Q CB 0.194 29.042 28.738 0.183 0.000 0.903 761 Q HN -0.481 7.914 8.270 0.209 0.000 0.433 762 V N 0.443 120.484 119.914 0.211 0.000 2.358 762 V HA -0.491 3.711 4.120 0.137 0.000 0.246 762 V C 1.659 177.819 176.094 0.109 0.000 1.047 762 V CA 4.025 66.443 62.300 0.197 0.000 1.035 762 V CB -0.147 31.856 31.823 0.300 0.000 0.658 762 V HN -0.226 8.118 8.190 0.256 0.000 0.452 763 A N -1.445 121.464 122.820 0.149 0.000 1.978 763 A HA -0.404 3.723 4.320 -0.322 0.000 0.220 763 A C 2.170 179.701 177.584 -0.088 0.000 1.170 763 A CA 3.216 55.200 52.037 -0.089 0.000 0.636 763 A CB -0.887 18.112 19.000 -0.001 0.000 0.810 763 A HN -0.413 7.902 8.150 0.276 0.000 0.448 764 Q N -1.045 118.766 119.800 0.019 0.000 2.046 764 Q HA -0.281 4.085 4.340 0.044 0.000 0.200 764 Q C 3.142 179.109 176.000 -0.055 0.000 0.975 764 Q CA 3.001 58.833 55.803 0.047 0.000 0.836 764 Q CB 0.174 29.005 28.738 0.155 0.000 0.896 764 Q HN -0.274 7.939 8.270 0.071 0.100 0.428 765 G N -0.790 107.984 108.800 -0.043 0.000 2.442 765 G HA2 -0.328 3.492 3.960 -0.233 0.000 0.219 765 G HA3 -0.328 3.746 3.960 -0.026 -0.129 0.219 765 G C 1.418 176.189 174.900 -0.215 0.000 1.141 765 G CA 2.178 47.207 45.100 -0.118 0.000 0.763 765 G HN -0.337 7.968 8.290 0.025 0.000 0.554 766 M N 0.993 120.360 119.600 -0.389 0.000 2.254 766 M HA -0.214 3.898 4.480 -0.613 0.000 0.265 766 M C 2.043 177.956 176.300 -0.645 0.000 1.066 766 M CA 0.738 55.572 55.300 -0.775 0.000 1.123 766 M CB -1.194 30.407 32.600 -1.665 0.000 1.388 766 M HN -0.269 7.801 8.290 -0.366 0.000 0.425 767 A N 0.140 122.743 122.820 -0.361 0.000 1.933 767 A HA -0.235 4.091 4.320 0.010 0.000 0.218 767 A C 1.904 179.441 177.584 -0.078 0.000 1.175 767 A CA 2.994 54.980 52.037 -0.084 0.000 0.628 767 A CB -1.089 17.922 19.000 0.020 0.000 0.814 767 A HN -0.145 7.812 8.150 -0.322 0.000 0.444 768 F N 0.153 119.920 119.950 -0.304 0.000 2.113 768 F HA -0.316 4.083 4.527 -0.213 0.000 0.297 768 F C 1.393 177.066 175.800 -0.212 0.000 1.103 768 F CA 2.930 60.741 58.000 -0.315 0.000 1.248 768 F CB 0.350 38.933 39.000 -0.696 0.000 0.999 768 F HN -0.549 7.595 8.300 -0.104 0.094 0.475 769 L N -1.954 119.078 121.223 -0.318 0.000 2.012 769 L HA -0.525 3.529 4.340 -0.477 0.000 0.210 769 L C 2.242 178.933 176.870 -0.298 0.000 1.073 769 L CA 3.012 57.623 54.840 -0.381 0.000 0.748 769 L CB -0.784 41.060 42.059 -0.359 0.000 0.891 769 L HN -0.426 7.692 8.230 -0.187 0.000 0.431 770 A N -1.948 120.759 122.820 -0.189 0.000 1.978 770 A HA -0.249 4.043 4.320 -0.047 0.000 0.220 770 A C 2.489 180.022 177.584 -0.085 0.000 1.170 770 A CA 2.830 54.830 52.037 -0.061 0.000 0.636 770 A CB -0.512 18.549 19.000 0.101 0.000 0.810 770 A HN 0.131 8.163 8.150 -0.197 0.000 0.448 771 S N -3.969 111.645 115.700 -0.143 0.000 2.481 771 S HA -0.195 4.241 4.470 -0.057 0.000 0.231 771 S C 0.566 175.072 174.600 -0.157 0.000 0.996 771 S CA 2.073 60.201 58.200 -0.121 0.000 0.942 771 S CB -0.411 62.725 63.200 -0.108 0.000 0.768 771 S HN -0.372 7.716 8.310 -0.184 0.111 0.520 772 K N -1.439 118.813 120.400 -0.246 0.000 2.397 772 K HA 0.141 4.389 4.320 -0.120 0.000 0.202 772 K C -0.498 176.060 176.600 -0.071 0.000 1.022 772 K CA -1.709 54.472 56.287 -0.177 0.000 1.141 772 K CB -0.724 31.598 32.500 -0.296 0.000 0.857 772 K HN -0.588 7.316 8.250 -0.312 0.158 0.514 773 N N -2.935 115.721 118.700 -0.073 0.000 2.721 773 N HA -0.462 4.252 4.740 -0.043 0.000 0.249 773 N C -1.789 173.689 175.510 -0.053 0.000 1.072 773 N CA 1.233 54.253 53.050 -0.049 0.000 0.710 773 N CB -2.464 35.996 38.487 -0.045 0.000 0.993 773 N HN -0.282 7.883 8.380 -0.081 0.166 0.547 774 C N -1.429 117.814 119.300 -0.096 0.000 2.273 774 C HA 0.376 4.948 4.460 -0.079 -0.160 0.328 774 C C -0.684 174.211 174.990 -0.159 0.000 1.275 774 C CA -1.597 57.347 59.018 -0.123 0.000 1.704 774 C CB 1.051 28.688 27.740 -0.172 0.000 2.326 774 C HN -0.366 7.767 8.230 -0.129 0.019 0.517 775 I N 4.057 124.554 120.570 -0.123 0.000 2.428 775 I HA 0.586 4.851 4.170 -0.060 -0.131 0.296 775 I C -1.489 174.496 176.117 -0.220 0.000 0.985 775 I CA -1.554 59.691 61.300 -0.091 0.000 1.260 775 I CB 2.273 40.279 38.000 0.009 0.000 1.389 775 I HN 0.431 8.585 8.210 -0.093 0.000 0.484 776 H N 8.214 127.104 119.070 -0.300 0.000 2.361 776 H HA 0.034 4.046 4.556 -0.906 0.000 0.308 776 H C 0.773 176.052 175.328 -0.081 0.000 1.053 776 H CA 2.688 58.472 56.048 -0.440 0.000 1.377 776 H CB 2.353 31.902 29.762 -0.356 0.000 1.434 776 H HN 0.391 9.013 8.280 0.012 -0.335 0.548 777 R N -6.674 113.966 120.500 0.234 0.000 3.922 777 R HA -0.297 4.212 4.340 0.281 0.000 0.447 777 R C -1.518 174.956 176.300 0.290 0.000 1.035 777 R CA 2.001 58.231 56.100 0.216 0.000 1.289 777 R CB -1.262 29.020 30.300 -0.031 0.000 1.906 777 R HN -0.537 8.147 8.270 0.264 -0.255 0.540 778 D N -2.098 118.602 120.400 0.500 0.000 2.992 778 D HA 0.172 4.955 4.640 0.238 0.000 0.372 778 D C -1.073 175.384 176.300 0.262 0.000 1.374 778 D CA -0.779 53.435 54.000 0.356 0.000 0.769 778 D CB 1.169 42.146 40.800 0.295 0.000 1.215 778 D HN -0.512 8.332 8.370 0.913 0.073 0.473 779 V N 0.811 120.801 119.914 0.127 0.000 2.485 779 V HA -0.331 3.562 4.120 -0.378 0.000 0.287 779 V C -1.997 174.132 176.094 0.059 0.000 1.022 779 V CA 1.234 63.487 62.300 -0.078 0.000 1.067 779 V CB -0.260 31.602 31.823 0.066 0.000 0.967 779 V HN 0.011 8.339 8.190 0.230 0.000 0.479 780 A N 3.756 126.567 122.820 -0.015 0.000 2.567 780 A HA 0.131 4.574 4.320 0.205 0.000 0.291 780 A C -1.125 176.497 177.584 0.063 0.000 1.048 780 A CA -0.887 51.132 52.037 -0.030 0.000 0.661 780 A CB 2.638 21.278 19.000 -0.600 0.000 1.288 780 A HN -0.513 7.609 8.150 -0.047 0.000 0.424 781 A N -0.568 122.351 122.820 0.164 0.000 2.015 781 A HA -0.223 4.171 4.320 0.123 0.000 0.219 781 A C 1.601 179.254 177.584 0.116 0.000 1.163 781 A CA 3.013 55.137 52.037 0.146 0.000 0.646 781 A CB -0.124 18.990 19.000 0.191 0.000 0.806 781 A HN 0.310 8.861 8.150 0.271 -0.239 0.448 782 R N -5.345 115.209 120.500 0.090 0.000 2.237 782 R HA -0.201 4.223 4.340 0.140 0.000 0.219 782 R C 0.083 176.511 176.300 0.212 0.000 1.080 782 R CA 2.043 58.217 56.100 0.124 0.000 0.995 782 R CB -0.597 29.752 30.300 0.082 0.000 0.875 782 R HN 0.183 8.458 8.270 0.043 0.020 0.462 783 N N -0.370 118.410 118.700 0.133 0.000 2.320 783 N HA 0.188 4.981 4.740 0.089 0.000 0.237 783 N C -2.216 173.407 175.510 0.188 0.000 1.129 783 N CA -0.317 52.771 53.050 0.063 0.000 0.854 783 N CB 0.768 39.211 38.487 -0.073 0.000 1.083 783 N HN -0.513 7.759 8.380 0.069 0.149 0.504 784 V N -0.107 119.969 119.914 0.270 0.000 2.540 784 V HA 0.420 4.849 4.120 0.250 -0.159 0.302 784 V C -2.055 174.150 176.094 0.185 0.000 1.035 784 V CA -0.995 61.434 62.300 0.214 0.000 0.873 784 V CB 2.717 34.584 31.823 0.074 0.000 0.992 784 V HN -0.680 7.582 8.190 0.232 0.067 0.428 785 L N 5.589 126.898 121.223 0.143 0.000 2.322 785 L HA 0.553 4.979 4.340 -0.070 -0.128 0.269 785 L C -1.596 175.220 176.870 -0.091 0.000 1.012 785 L CA -1.823 52.998 54.840 -0.033 0.000 0.815 785 L CB 3.794 45.778 42.059 -0.125 0.000 1.295 785 L HN 0.492 8.838 8.230 0.194 0.000 0.438 786 L N -0.810 120.327 121.223 -0.143 0.000 2.333 786 L HA 0.584 5.051 4.340 -0.108 -0.192 0.280 786 L C -0.875 175.946 176.870 -0.082 0.000 1.004 786 L CA -1.111 53.653 54.840 -0.128 0.000 0.820 786 L CB 2.325 44.242 42.059 -0.237 0.000 1.247 786 L HN 0.435 8.576 8.230 -0.147 0.000 0.416 787 T N 1.937 116.456 114.554 -0.058 0.000 2.804 787 T HA 0.314 4.522 4.350 -0.237 0.000 0.272 787 T C -1.389 173.279 174.700 -0.054 0.000 0.986 787 T CA -3.191 58.834 62.100 -0.126 0.000 0.999 787 T CB 2.744 71.541 68.868 -0.117 0.000 1.307 787 T HN -0.007 8.215 8.240 -0.029 0.000 0.586 788 N N 1.628 120.256 118.700 -0.121 0.000 2.225 788 N HA -0.352 4.364 4.740 -0.040 0.000 0.257 788 N C 1.172 176.713 175.510 0.052 0.000 1.252 788 N CA 2.478 55.504 53.050 -0.041 0.000 0.833 788 N CB -0.156 38.299 38.487 -0.054 0.000 1.068 788 N HN 0.345 8.630 8.380 -0.158 0.000 0.468 789 G N 1.965 110.825 108.800 0.101 0.000 2.162 789 G HA2 -0.421 3.629 3.960 0.150 0.000 0.260 789 G HA3 -0.421 3.605 3.960 0.110 0.000 0.260 789 G C -0.249 174.766 174.900 0.192 0.000 0.976 789 G CA 0.370 45.547 45.100 0.128 0.000 0.655 789 G HN 0.555 8.925 8.290 0.133 0.000 0.533 790 H N -3.498 115.658 119.070 0.143 0.000 2.692 790 H HA -0.519 4.105 4.556 0.027 -0.052 0.316 790 H C -1.261 174.140 175.328 0.121 0.000 1.176 790 H CA 1.133 57.209 56.048 0.047 0.000 1.142 790 H CB -3.051 26.672 29.762 -0.065 0.000 1.475 790 H HN -0.099 8.106 8.280 -0.034 0.054 0.423 791 V N -1.295 118.713 119.914 0.156 0.000 2.465 791 V HA -0.098 4.293 4.120 0.200 -0.151 0.279 791 V C -0.876 175.271 176.094 0.087 0.000 1.045 791 V CA -0.540 61.844 62.300 0.142 0.000 0.938 791 V CB 1.486 33.362 31.823 0.089 0.000 0.986 791 V HN -0.775 7.481 8.190 0.109 0.000 0.467 792 A N 8.388 131.277 122.820 0.114 0.000 2.363 792 A HA 0.563 5.063 4.320 -0.028 -0.197 0.270 792 A C -1.242 176.389 177.584 0.077 0.000 1.121 792 A CA -1.164 50.901 52.037 0.047 0.000 0.800 792 A CB 1.387 20.429 19.000 0.069 0.000 1.052 792 A HN 0.372 8.934 8.150 0.178 -0.305 0.493 793 K N 1.513 121.960 120.400 0.078 0.000 2.507 793 K HA 0.341 4.815 4.320 0.135 -0.073 0.251 793 K C -1.656 175.060 176.600 0.194 0.000 0.943 793 K CA -1.203 55.162 56.287 0.130 0.000 0.794 793 K CB 3.894 36.463 32.500 0.114 0.000 1.188 793 K HN 0.155 8.439 8.250 0.056 0.000 0.428 794 I N 4.422 125.112 120.570 0.200 0.000 2.472 794 I HA 0.463 4.907 4.170 0.206 -0.151 0.290 794 I C -1.431 174.896 176.117 0.349 0.000 1.016 794 I CA -1.266 60.167 61.300 0.222 0.000 1.348 794 I CB 2.490 40.561 38.000 0.117 0.000 1.417 794 I HN 0.086 8.403 8.210 0.178 0.000 0.521 795 G N 6.345 115.300 108.800 0.257 0.000 2.650 795 G HA2 0.244 4.481 3.960 0.461 0.000 0.310 795 G HA3 0.244 4.229 3.960 0.041 0.000 0.310 795 G C -3.131 171.535 174.900 -0.392 0.000 1.270 795 G CA -0.060 45.099 45.100 0.099 0.000 0.810 795 G HN -0.061 8.291 8.290 0.104 0.000 0.493 796 D N -0.049 119.874 120.400 -0.794 0.000 2.542 796 D HA 0.236 4.515 4.640 -0.601 0.000 0.252 796 D C -1.927 174.044 176.300 -0.549 0.000 1.222 796 D CA -0.447 53.141 54.000 -0.687 0.000 0.895 796 D CB 1.141 41.590 40.800 -0.585 0.000 1.207 796 D HN 0.110 8.070 8.370 -0.683 0.000 0.558 797 F N 3.214 123.165 119.950 0.002 0.000 2.855 797 F HA 0.444 4.941 4.527 -0.050 0.000 0.317 797 F C 1.165 176.962 175.800 -0.004 0.000 1.169 797 F CA -1.875 56.114 58.000 -0.019 0.000 1.299 797 F CB -0.024 38.972 39.000 -0.007 0.000 0.962 797 F HN -0.304 7.938 8.300 -0.469 -0.223 0.506 798 G N 1.405 110.251 108.800 0.077 0.000 2.469 798 G HA2 -0.363 3.616 3.960 0.032 0.000 0.220 798 G HA3 -0.363 3.629 3.960 0.054 0.000 0.220 798 G C 1.189 176.138 174.900 0.082 0.000 1.136 798 G CA 2.286 47.423 45.100 0.061 0.000 0.759 798 G HN -0.074 8.434 8.290 0.008 -0.213 0.562 799 L N -0.109 121.165 121.223 0.086 0.000 2.079 799 L HA -0.292 4.055 4.340 0.011 0.000 0.210 799 L C 0.539 177.412 176.870 0.003 0.000 1.081 799 L CA 2.060 56.911 54.840 0.019 0.000 0.752 799 L CB -0.246 41.793 42.059 -0.033 0.000 0.896 799 L HN -0.072 8.198 8.230 0.092 0.015 0.433 800 A N -7.048 115.792 122.820 0.033 0.000 2.251 800 A HA -0.052 4.175 4.320 -0.021 0.081 0.209 800 A C -0.690 176.901 177.584 0.012 0.000 1.187 800 A CA -0.067 51.975 52.037 0.009 0.000 0.823 800 A CB 0.295 19.302 19.000 0.012 0.000 0.846 800 A HN -0.537 7.538 8.150 0.075 0.120 0.486 801 R N -2.318 118.193 120.500 0.019 0.000 2.732 801 R HA 0.199 4.548 4.340 0.015 0.000 0.278 801 R C -1.219 175.060 176.300 -0.035 0.000 0.976 801 R CA -2.008 54.096 56.100 0.006 0.000 0.963 801 R CB 1.789 32.099 30.300 0.018 0.000 1.150 801 R HN -0.581 7.527 8.270 0.025 0.177 0.478 802 D N 2.404 122.785 120.400 -0.032 0.000 2.619 802 D HA 0.075 4.669 4.640 -0.077 0.000 0.224 802 D C 0.622 176.883 176.300 -0.064 0.000 1.133 802 D CA -1.181 52.787 54.000 -0.053 0.000 1.017 802 D CB -0.881 39.902 40.800 -0.028 0.000 1.077 802 D HN 0.385 8.749 8.370 -0.011 0.000 0.503 803 I N 3.645 124.142 120.570 -0.120 0.000 2.208 803 I HA -0.413 3.611 4.170 -0.244 0.000 0.245 803 I C 1.642 177.710 176.117 -0.083 0.000 1.097 803 I CA 2.555 63.740 61.300 -0.192 0.000 1.363 803 I CB 0.173 38.008 38.000 -0.275 0.000 1.051 803 I HN -0.465 7.641 8.210 -0.124 0.030 0.413 804 M N -3.415 116.137 119.600 -0.079 0.000 2.260 804 M HA -0.354 4.112 4.480 -0.024 0.000 0.261 804 M C 0.482 176.780 176.300 -0.004 0.000 1.066 804 M CA 2.417 57.691 55.300 -0.043 0.000 1.082 804 M CB -0.986 31.566 32.600 -0.080 0.000 1.388 804 M HN 0.185 8.408 8.290 -0.112 0.000 0.419 805 N N -3.959 114.741 118.700 -0.000 0.000 2.200 805 N HA 0.142 4.898 4.740 0.026 0.000 0.224 805 N C -1.089 174.455 175.510 0.056 0.000 1.179 805 N CA -0.362 52.702 53.050 0.023 0.000 0.877 805 N CB 1.241 39.733 38.487 0.008 0.000 1.072 805 N HN -0.697 7.639 8.380 -0.014 0.035 0.519 806 D N 1.298 121.750 120.400 0.088 0.000 2.347 806 D HA 0.184 4.902 4.640 0.132 0.000 0.235 806 D C 0.787 177.197 176.300 0.184 0.000 1.149 806 D CA -1.133 52.962 54.000 0.158 0.000 0.850 806 D CB 0.843 41.792 40.800 0.248 0.000 1.061 806 D HN -0.739 7.562 8.370 0.074 0.114 0.487 807 S N 7.731 123.511 115.700 0.134 0.000 2.469 807 S HA -0.218 4.309 4.470 0.095 0.000 0.238 807 S C 0.756 175.423 174.600 0.112 0.000 0.998 807 S CA 1.903 60.166 58.200 0.105 0.000 0.957 807 S CB -0.471 62.772 63.200 0.072 0.000 0.764 807 S HN 0.594 8.974 8.310 0.117 0.000 0.514 808 N N -0.423 118.367 118.700 0.149 0.000 2.459 808 N HA -0.027 4.797 4.740 0.140 0.000 0.181 808 N C -0.809 174.662 175.510 -0.065 0.000 1.046 808 N CA 1.304 54.413 53.050 0.100 0.000 0.904 808 N CB 1.049 39.586 38.487 0.084 0.000 0.964 808 N HN -0.548 8.177 8.380 0.180 -0.237 0.444 809 Y N -1.937 118.409 120.300 0.076 0.000 2.353 809 Y HA 0.130 4.903 4.550 0.083 -0.174 0.340 809 Y C -0.186 175.750 175.900 0.061 0.000 0.972 809 Y CA -0.068 58.073 58.100 0.069 0.000 1.157 809 Y CB 0.744 39.238 38.460 0.057 0.000 1.157 809 Y HN -0.655 7.804 8.280 0.346 0.029 0.495 810 I N 3.579 124.249 120.570 0.165 0.000 2.392 810 I HA 0.205 4.435 4.170 0.099 0.000 0.295 810 I C 0.094 176.286 176.117 0.126 0.000 0.985 810 I CA -2.792 58.576 61.300 0.113 0.000 1.221 810 I CB 1.294 39.338 38.000 0.073 0.000 1.366 810 I HN 0.545 8.843 8.210 0.147 0.000 0.467 811 V N 7.183 127.157 119.914 0.101 0.000 2.529 811 V HA -0.157 4.207 4.120 0.099 -0.185 0.292 811 V C -0.384 175.760 176.094 0.083 0.000 1.028 811 V CA 1.697 64.051 62.300 0.090 0.000 1.074 811 V CB 0.219 32.084 31.823 0.070 0.000 0.958 811 V HN 0.335 8.579 8.190 0.089 0.000 0.481 812 K N 8.223 128.670 120.400 0.079 0.000 2.769 812 K HA 0.203 4.556 4.320 0.056 0.000 0.313 812 K C -0.154 176.476 176.600 0.051 0.000 0.981 812 K CA -0.772 55.552 56.287 0.062 0.000 1.048 812 K CB 1.992 34.528 32.500 0.060 0.000 3.495 812 K HN 0.214 8.514 8.250 0.084 0.000 1.181 816 R N -0.467 120.117 120.500 0.139 0.000 2.435 816 R HA 0.410 5.051 4.340 0.191 -0.186 0.308 816 R C -1.712 174.778 176.300 0.318 0.000 0.975 816 R CA -0.785 55.438 56.100 0.205 0.000 0.867 816 R CB 0.946 31.348 30.300 0.169 0.000 1.171 816 R HN 0.263 8.611 8.270 0.130 0.000 0.470 817 L N 3.371 124.760 121.223 0.277 0.000 2.365 817 L HA 0.592 5.096 4.340 0.272 0.000 0.273 817 L C -2.203 174.729 176.870 0.103 0.000 1.000 817 L CA -3.301 51.675 54.840 0.227 0.000 0.819 817 L CB 3.077 45.234 42.059 0.162 0.000 1.284 817 L HN 0.120 8.486 8.230 0.227 0.000 0.418 818 P HA 0.333 4.756 4.420 -0.376 -0.229 0.237 818 P C 0.614 178.012 177.300 0.163 0.000 1.788 818 P CA -0.875 62.117 63.100 -0.180 0.000 1.061 818 P CB -1.380 30.120 31.700 -0.333 0.000 1.967 819 V N 3.151 123.132 119.914 0.113 0.000 2.469 819 V HA -0.445 3.751 4.120 0.127 0.000 0.251 819 V C 1.786 177.964 176.094 0.140 0.000 1.064 819 V CA 3.393 65.760 62.300 0.112 0.000 1.066 819 V CB -0.135 31.723 31.823 0.058 0.000 0.667 819 V HN -0.249 7.953 8.190 0.060 0.024 0.461 820 K N -2.937 117.536 120.400 0.123 0.000 2.439 820 K HA -0.213 4.113 4.320 0.011 0.000 0.197 820 K C 0.605 177.270 176.600 0.109 0.000 1.041 820 K CA 2.623 58.921 56.287 0.017 0.000 0.970 820 K CB -0.412 31.941 32.500 -0.246 0.000 0.773 820 K HN 0.171 8.502 8.250 0.167 0.019 0.479 821 W N -4.162 117.253 121.300 0.190 0.000 3.220 821 W HA 0.141 5.016 4.660 0.359 0.000 0.328 821 W C -1.749 174.960 176.519 0.317 0.000 1.205 821 W CA -0.428 57.085 57.345 0.280 0.000 1.773 821 W CB 1.159 30.739 29.460 0.198 0.000 1.086 821 W HN -0.513 8.065 8.180 0.727 0.038 0.622 822 M N -2.278 117.530 119.600 0.347 0.000 2.277 822 M HA 0.122 4.712 4.480 0.183 0.000 0.350 822 M C -0.365 175.730 176.300 -0.341 0.000 1.180 822 M CA -0.251 55.110 55.300 0.102 0.000 1.103 822 M CB 2.077 34.707 32.600 0.051 0.000 1.577 822 M HN -0.833 7.477 8.290 0.307 0.164 0.459 823 A N 3.504 125.988 122.820 -0.560 0.000 2.425 823 A HA 0.056 2.897 4.320 -2.464 0.000 0.242 823 A C -1.206 175.845 177.584 -0.889 0.000 1.077 823 A CA -0.926 50.403 52.037 -1.180 0.000 0.781 823 A CB -1.128 17.551 19.000 -0.535 0.000 1.020 823 A HN 0.394 8.380 8.150 -0.273 0.000 0.494 824 P HA -0.350 3.784 4.420 -0.475 0.000 0.216 824 P C 0.558 177.677 177.300 -0.301 0.000 1.157 824 P CA 2.624 65.441 63.100 -0.472 0.000 0.880 824 P CB -0.027 31.529 31.700 -0.239 0.000 0.791 825 E N -5.393 114.649 120.200 -0.262 0.000 2.347 825 E HA -0.238 4.075 4.350 -0.062 0.000 0.196 825 E C 1.403 177.824 176.600 -0.300 0.000 1.008 825 E CA 2.766 59.062 56.400 -0.173 0.000 0.852 825 E CB -1.726 27.899 29.700 -0.125 0.000 0.783 825 E HN 0.558 8.735 8.360 -0.306 0.000 0.505 826 S N 1.144 116.573 115.700 -0.451 0.000 2.395 826 S HA -0.077 4.131 4.470 -0.795 -0.215 0.225 826 S C 1.959 176.267 174.600 -0.486 0.000 1.027 826 S CA 2.966 60.775 58.200 -0.652 0.000 0.965 826 S CB -0.081 62.670 63.200 -0.747 0.000 0.812 826 S HN -0.597 7.312 8.310 -0.455 0.128 0.482 827 I N 1.533 121.784 120.570 -0.533 0.000 2.202 827 I HA -0.431 3.479 4.170 -0.432 0.000 0.242 827 I C 1.471 177.220 176.117 -0.614 0.000 1.091 827 I CA 4.085 64.996 61.300 -0.648 0.000 1.368 827 I CB 0.200 37.582 38.000 -1.030 0.000 1.058 827 I HN -0.696 7.165 8.210 -0.580 0.000 0.410 828 F N -4.354 115.475 119.950 -0.201 0.000 2.505 828 F HA -0.064 4.347 4.527 -0.194 0.000 0.289 828 F C 1.074 176.788 175.800 -0.143 0.000 1.101 828 F CA 1.342 59.234 58.000 -0.180 0.000 1.446 828 F CB 0.364 39.264 39.000 -0.166 0.000 1.123 828 F HN -0.527 7.486 8.300 -0.478 0.000 0.564 829 D N -3.218 117.181 120.400 -0.002 0.000 2.398 829 D HA 0.174 4.810 4.640 -0.005 0.000 0.210 829 D C -0.271 175.987 176.300 -0.069 0.000 1.094 829 D CA -0.067 53.916 54.000 -0.029 0.000 0.839 829 D CB 0.837 41.617 40.800 -0.033 0.000 0.963 829 D HN -0.544 7.791 8.370 -0.057 0.000 0.506 830 C N -1.769 117.452 119.300 -0.132 0.000 4.235 830 C HA -0.493 4.024 4.460 -0.193 -0.173 0.301 830 C C -0.856 174.060 174.990 -0.125 0.000 1.409 830 C CA 0.717 59.665 59.018 -0.116 0.000 2.024 830 C CB -2.425 25.329 27.740 0.024 0.000 1.286 830 C HN -0.399 7.730 8.230 -0.168 0.000 0.746 831 V N -0.377 119.372 119.914 -0.274 0.000 2.483 831 V HA 0.107 4.210 4.120 -0.028 0.000 0.295 831 V C -1.974 173.901 176.094 -0.364 0.000 1.035 831 V CA -0.484 61.711 62.300 -0.175 0.000 0.896 831 V CB 2.341 34.101 31.823 -0.105 0.000 0.986 831 V HN -0.752 7.235 8.190 -0.321 0.011 0.447 832 Y N 2.943 123.239 120.300 -0.007 0.000 2.329 832 Y HA 0.270 4.827 4.550 0.011 0.000 0.328 832 Y C -0.656 175.252 175.900 0.012 0.000 0.992 832 Y CA -0.931 57.174 58.100 0.007 0.000 1.151 832 Y CB 2.911 41.377 38.460 0.011 0.000 1.150 832 Y HN 0.206 8.590 8.280 0.174 0.000 0.450 833 T N -1.904 112.734 114.554 0.139 0.000 2.831 833 T HA 0.272 4.678 4.350 0.094 0.000 0.287 833 T C 0.033 174.804 174.700 0.117 0.000 1.070 833 T CA -2.605 59.554 62.100 0.099 0.000 1.010 833 T CB 3.097 71.996 68.868 0.052 0.000 1.264 833 T HN -0.296 8.011 8.240 0.112 0.000 0.532 834 V N -0.819 119.151 119.914 0.095 0.000 2.490 834 V HA -0.410 3.816 4.120 0.177 0.000 0.250 834 V C 1.264 177.419 176.094 0.101 0.000 1.061 834 V CA 3.477 65.855 62.300 0.131 0.000 1.064 834 V CB -0.019 31.872 31.823 0.114 0.000 0.670 834 V HN 0.218 8.450 8.190 0.071 0.000 0.461 835 Q N -2.492 117.338 119.800 0.051 0.000 2.224 835 Q HA -0.201 4.114 4.340 -0.042 0.000 0.203 835 Q C 2.711 178.777 176.000 0.110 0.000 0.970 835 Q CA 1.981 57.800 55.803 0.027 0.000 0.865 835 Q CB -0.829 27.925 28.738 0.026 0.000 0.922 835 Q HN -0.313 7.972 8.270 0.048 0.014 0.445 836 S N 0.283 116.061 115.700 0.131 0.000 2.414 836 S HA -0.177 4.399 4.470 0.177 0.000 0.227 836 S C 1.520 176.291 174.600 0.284 0.000 1.022 836 S CA 3.053 61.352 58.200 0.167 0.000 0.958 836 S CB -0.551 62.688 63.200 0.065 0.000 0.797 836 S HN -0.641 7.612 8.310 0.112 0.124 0.493 837 D N 3.116 123.688 120.400 0.288 0.000 2.178 837 D HA -0.153 4.725 4.640 0.398 0.000 0.201 837 D C 2.226 178.800 176.300 0.456 0.000 0.980 837 D CA 3.369 57.606 54.000 0.396 0.000 0.842 837 D CB -0.462 40.599 40.800 0.436 0.000 0.948 837 D HN -0.761 7.669 8.370 0.247 0.089 0.472 838 V N -0.029 119.989 119.914 0.173 0.000 2.358 838 V HA -0.461 3.526 4.120 -0.222 0.000 0.246 838 V C 1.308 177.564 176.094 0.270 0.000 1.047 838 V CA 3.945 66.210 62.300 -0.059 0.000 1.035 838 V CB -0.099 31.527 31.823 -0.329 0.000 0.658 838 V HN -0.657 7.468 8.190 0.099 0.124 0.452 839 W N 0.555 121.963 121.300 0.180 0.000 2.317 839 W HA -0.300 4.770 4.660 0.367 -0.190 0.318 839 W C 1.637 178.412 176.519 0.426 0.000 1.227 839 W CA 3.390 60.927 57.345 0.320 0.000 1.269 839 W CB -0.288 29.330 29.460 0.263 0.000 1.155 839 W HN -0.635 7.831 8.180 0.476 0.000 0.484 840 S N -1.508 114.641 115.700 0.748 0.000 2.399 840 S HA -0.311 4.730 4.470 0.766 -0.111 0.231 840 S C 2.056 177.001 174.600 0.575 0.000 1.022 840 S CA 3.194 61.803 58.200 0.682 0.000 0.983 840 S CB -0.645 62.901 63.200 0.576 0.000 0.803 840 S HN -0.649 8.072 8.310 0.686 0.000 0.480 841 Y N 3.474 124.020 120.300 0.411 0.000 2.274 841 Y HA -0.377 4.384 4.550 0.353 0.000 0.290 841 Y C 1.638 177.703 175.900 0.275 0.000 1.145 841 Y CA 3.081 61.397 58.100 0.359 0.000 1.203 841 Y CB -0.312 38.426 38.460 0.463 0.000 0.984 841 Y HN -0.175 8.410 8.280 0.650 0.086 0.533 842 G N -0.913 108.004 108.800 0.195 0.000 2.418 842 G HA2 -0.388 3.428 3.960 -0.239 0.000 0.217 842 G HA3 -0.388 3.346 3.960 -0.377 0.000 0.217 842 G C 1.181 176.232 174.900 0.252 0.000 1.158 842 G CA 2.116 47.159 45.100 -0.095 0.000 0.771 842 G HN -0.386 7.991 8.290 0.295 0.090 0.545 843 I N 2.159 123.034 120.570 0.507 0.000 2.286 843 I HA -0.366 4.084 4.170 0.467 0.000 0.248 843 I C 1.533 177.876 176.117 0.376 0.000 1.115 843 I CA 1.870 63.407 61.300 0.395 0.000 1.392 843 I CB -0.977 37.102 38.000 0.132 0.000 1.065 843 I HN -0.725 7.802 8.210 0.529 0.000 0.418 844 L N 1.222 122.657 121.223 0.352 0.000 2.046 844 L HA -0.244 4.582 4.340 0.430 -0.229 0.208 844 L C 2.334 179.310 176.870 0.176 0.000 1.077 844 L CA 3.047 58.064 54.840 0.295 0.000 0.747 844 L CB 0.010 42.181 42.059 0.188 0.000 0.896 844 L HN -0.386 7.975 8.230 0.348 0.078 0.432 845 L N -1.804 119.434 121.223 0.025 0.000 2.042 845 L HA -0.423 3.992 4.340 0.126 0.000 0.210 845 L C 2.005 179.084 176.870 0.348 0.000 1.076 845 L CA 3.286 58.195 54.840 0.115 0.000 0.749 845 L CB -0.388 41.655 42.059 -0.027 0.000 0.893 845 L HN -0.149 7.944 8.230 -0.100 0.077 0.432 846 W N -0.474 120.941 121.300 0.191 0.000 2.342 846 W HA -0.394 4.421 4.660 0.259 0.000 0.297 846 W C 1.759 178.402 176.519 0.206 0.000 1.213 846 W CA 3.859 61.344 57.345 0.233 0.000 1.251 846 W CB 0.080 29.692 29.460 0.254 0.000 1.136 846 W HN -0.334 8.150 8.180 0.506 0.000 0.526 847 E N -1.402 119.064 120.200 0.445 0.000 2.077 847 E HA -0.440 4.089 4.350 0.299 0.000 0.193 847 E C 2.486 179.151 176.600 0.109 0.000 0.989 847 E CA 2.859 59.439 56.400 0.300 0.000 0.800 847 E CB -0.083 29.848 29.700 0.385 0.000 0.746 847 E HN -0.651 7.912 8.360 0.498 0.096 0.452 848 I N -0.544 120.090 120.570 0.106 0.000 2.163 848 I HA -0.426 3.738 4.170 -0.011 0.000 0.240 848 I C 2.192 178.204 176.117 -0.175 0.000 1.081 848 I CA 4.059 65.336 61.300 -0.038 0.000 1.353 848 I CB 0.266 38.206 38.000 -0.100 0.000 1.054 848 I HN -0.471 7.755 8.210 0.166 0.084 0.407 849 F N -3.665 116.276 119.950 -0.015 0.000 2.797 849 F HA -0.066 4.473 4.527 0.020 0.000 0.302 849 F C -0.338 175.404 175.800 -0.097 0.000 1.130 849 F CA 1.521 59.505 58.000 -0.026 0.000 1.387 849 F CB -0.715 38.280 39.000 -0.008 0.000 1.107 849 F HN -0.297 8.152 8.300 0.248 0.000 0.577 850 S N -2.025 113.591 115.700 -0.139 0.000 2.554 850 S HA 0.068 4.476 4.470 -0.103 0.000 0.226 850 S C 0.346 174.891 174.600 -0.091 0.000 0.980 850 S CA -0.611 57.442 58.200 -0.245 0.000 0.939 850 S CB 0.817 63.516 63.200 -0.835 0.000 0.832 850 S HN -0.597 7.560 8.310 -0.170 0.051 0.486 851 L N -1.514 119.655 121.223 -0.091 0.000 3.843 851 L HA -0.424 3.926 4.340 -0.106 -0.073 0.411 851 L C -0.336 176.514 176.870 -0.034 0.000 1.205 851 L CA 0.975 55.753 54.840 -0.104 0.000 0.945 851 L CB -2.550 39.387 42.059 -0.203 0.000 1.929 851 L HN -0.381 7.619 8.230 -0.094 0.173 0.934 852 G N -5.467 103.337 108.800 0.008 0.000 2.145 852 G HA2 -0.429 3.609 3.960 0.130 0.000 0.176 852 G HA3 -0.429 3.577 3.960 0.077 0.000 0.176 852 G C -0.776 174.201 174.900 0.129 0.000 1.013 852 G CA -0.469 44.683 45.100 0.087 0.000 0.689 852 G HN 0.062 8.309 8.290 -0.013 0.034 0.506 853 L N -1.343 119.944 121.223 0.107 0.000 2.426 853 L HA -0.108 4.343 4.340 0.185 0.000 0.271 853 L C -0.003 177.109 176.870 0.404 0.000 1.169 853 L CA -0.014 54.953 54.840 0.213 0.000 0.836 853 L CB 0.315 42.475 42.059 0.168 0.000 1.112 853 L HN -0.715 7.520 8.230 0.008 0.000 0.465 854 N N 2.881 121.782 118.700 0.335 0.000 2.454 854 N HA -0.031 4.914 4.740 0.341 0.000 0.260 854 N C -1.696 173.958 175.510 0.240 0.000 1.218 854 N CA -1.435 51.795 53.050 0.301 0.000 0.904 854 N CB 0.598 39.214 38.487 0.215 0.000 1.065 854 N HN 0.161 8.702 8.380 0.268 0.000 0.462 855 P HA -0.133 3.684 4.420 -1.005 0.000 0.269 855 P C -1.030 176.080 177.300 -0.317 0.000 1.209 855 P CA 0.693 63.465 63.100 -0.546 0.000 0.776 855 P CB 0.375 31.616 31.700 -0.766 0.000 0.876 856 Y N -3.546 116.447 120.300 -0.511 0.000 3.001 856 Y HA -0.354 4.089 4.550 -0.178 0.000 0.187 856 Y C -2.153 173.693 175.900 -0.091 0.000 1.462 856 Y CA -0.162 57.811 58.100 -0.213 0.000 0.936 856 Y CB -2.450 35.961 38.460 -0.082 0.000 1.337 856 Y HN -0.267 7.246 8.280 -1.279 0.000 0.428 857 P HA -0.147 4.344 4.420 0.119 0.000 0.263 857 P C 0.796 178.153 177.300 0.095 0.000 1.195 857 P CA 0.834 64.007 63.100 0.121 0.000 0.762 857 P CB -0.177 31.635 31.700 0.186 0.000 0.799 858 G N 2.947 111.790 108.800 0.070 0.000 2.267 858 G HA2 -0.418 3.566 3.960 0.041 0.000 0.257 858 G HA3 -0.418 3.572 3.960 0.051 0.000 0.257 858 G C -0.406 174.507 174.900 0.022 0.000 0.998 858 G CA 0.013 45.140 45.100 0.046 0.000 0.620 858 G HN 0.473 8.804 8.290 0.069 0.000 0.529 859 I N 3.868 124.453 120.570 0.026 0.000 2.342 859 I HA 0.074 4.232 4.170 -0.020 0.000 0.291 859 I C -0.752 175.314 176.117 -0.086 0.000 1.010 859 I CA -0.236 61.058 61.300 -0.010 0.000 1.308 859 I CB 0.134 38.156 38.000 0.038 0.000 1.400 859 I HN -0.562 7.597 8.210 0.053 0.083 0.488 860 L N 3.911 125.068 121.223 -0.109 0.000 2.357 860 L HA 0.503 4.733 4.340 -0.183 0.000 0.273 860 L C -0.853 175.838 176.870 -0.299 0.000 1.080 860 L CA -0.994 53.744 54.840 -0.171 0.000 0.803 860 L CB 1.234 43.231 42.059 -0.103 0.000 1.174 860 L HN 0.174 8.356 8.230 -0.081 0.000 0.443 861 V N 3.041 122.693 119.914 -0.436 0.000 2.403 861 V HA -0.165 3.415 4.120 -0.901 0.000 0.265 861 V C -0.916 174.957 176.094 -0.370 0.000 1.034 861 V CA 1.584 63.505 62.300 -0.631 0.000 1.036 861 V CB -0.543 30.903 31.823 -0.628 0.000 1.032 861 V HN 0.247 8.212 8.190 -0.376 0.000 0.478 862 N N 7.020 125.515 118.700 -0.343 0.000 3.588 862 N HA 0.145 4.828 4.740 -0.096 0.000 0.340 862 N C -0.204 175.245 175.510 -0.102 0.000 1.609 862 N CA -0.810 52.146 53.050 -0.156 0.000 0.811 862 N CB 0.563 39.014 38.487 -0.061 0.000 2.184 862 N HN -0.509 7.668 8.380 -0.337 0.000 0.577 863 S N -1.287 114.459 115.700 0.077 0.000 2.383 863 S HA -0.391 4.297 4.470 0.364 0.000 0.229 863 S C 1.742 176.399 174.600 0.096 0.000 1.030 863 S CA 3.646 61.952 58.200 0.177 0.000 1.002 863 S CB -0.232 63.040 63.200 0.120 0.000 0.829 863 S HN 0.256 8.607 8.310 0.067 0.000 0.467 864 K N 1.533 121.942 120.400 0.014 0.000 2.148 864 K HA -0.284 4.024 4.320 -0.021 0.000 0.204 864 K C 2.230 178.789 176.600 -0.068 0.000 1.050 864 K CA 2.521 58.792 56.287 -0.026 0.000 0.942 864 K CB -0.316 32.158 32.500 -0.043 0.000 0.724 864 K HN -0.850 7.540 8.250 0.001 -0.139 0.446 865 F N 1.709 121.501 119.950 -0.264 0.000 2.113 865 F HA -0.405 3.908 4.527 -0.356 0.000 0.297 865 F C 1.208 176.857 175.800 -0.252 0.000 1.103 865 F CA 3.653 61.430 58.000 -0.372 0.000 1.248 865 F CB 0.192 38.863 39.000 -0.549 0.000 0.999 865 F HN -0.849 7.595 8.300 -0.011 -0.150 0.475 866 Y N -2.768 117.576 120.300 0.073 0.000 2.165 866 Y HA -0.631 3.961 4.550 0.070 0.000 0.286 866 Y C 2.362 178.274 175.900 0.021 0.000 1.155 866 Y CA 3.134 61.300 58.100 0.109 0.000 1.164 866 Y CB -0.233 38.400 38.460 0.288 0.000 0.978 866 Y HN -0.588 7.618 8.280 -0.124 0.000 0.513 867 K N -1.614 118.841 120.400 0.091 0.000 2.057 867 K HA -0.321 3.985 4.320 -0.024 0.000 0.206 867 K C 2.061 178.612 176.600 -0.081 0.000 1.050 867 K CA 3.152 59.429 56.287 -0.015 0.000 0.935 867 K CB -0.147 32.338 32.500 -0.024 0.000 0.715 867 K HN -0.694 7.613 8.250 0.095 0.000 0.439 868 L N -0.384 120.733 121.223 -0.177 0.000 1.971 868 L HA -0.373 3.886 4.340 -0.135 0.000 0.215 868 L C 2.148 178.942 176.870 -0.126 0.000 1.072 868 L CA 3.303 58.013 54.840 -0.216 0.000 0.758 868 L CB -0.161 41.624 42.059 -0.457 0.000 0.889 868 L HN -0.421 7.682 8.230 -0.211 0.000 0.433 869 V N -1.549 118.202 119.914 -0.273 0.000 2.407 869 V HA -0.504 3.618 4.120 0.004 0.000 0.248 869 V C 1.390 177.513 176.094 0.048 0.000 1.055 869 V CA 3.010 65.244 62.300 -0.111 0.000 1.049 869 V CB 0.060 31.716 31.823 -0.278 0.000 0.662 869 V HN -0.443 7.450 8.190 -0.495 0.000 0.455 870 K N -1.406 119.023 120.400 0.049 0.000 2.148 870 K HA -0.281 4.080 4.320 0.068 0.000 0.204 870 K C 1.616 178.211 176.600 -0.008 0.000 1.050 870 K CA 2.595 58.893 56.287 0.020 0.000 0.942 870 K CB -0.261 32.149 32.500 -0.149 0.000 0.724 870 K HN -0.799 7.473 8.250 0.038 0.000 0.446 871 D N -3.742 116.656 120.400 -0.004 0.000 2.317 871 D HA -0.020 4.612 4.640 -0.013 0.000 0.211 871 D C 0.498 176.823 176.300 0.042 0.000 0.966 871 D CA 0.766 54.770 54.000 0.005 0.000 0.876 871 D CB 0.375 41.176 40.800 0.002 0.000 0.927 871 D HN -0.398 7.843 8.370 -0.010 0.123 0.519 872 G N -3.659 105.189 108.800 0.081 0.000 2.159 872 G HA2 -0.361 3.675 3.960 0.126 0.000 0.170 872 G HA3 -0.361 3.641 3.960 0.069 0.000 0.170 872 G C -0.450 174.507 174.900 0.096 0.000 1.007 872 G CA -0.454 44.704 45.100 0.096 0.000 0.672 872 G HN -0.784 7.415 8.290 0.089 0.144 0.507 873 Y N 2.637 122.930 120.300 -0.011 0.000 2.712 873 Y HA -0.253 4.290 4.550 -0.011 0.000 0.333 873 Y C -1.156 174.720 175.900 -0.040 0.000 1.225 873 Y CA 1.585 59.670 58.100 -0.025 0.000 1.499 873 Y CB 0.637 39.062 38.460 -0.058 0.000 1.288 873 Y HN -0.537 7.870 8.280 0.212 0.000 0.575 874 Q N 7.000 126.355 119.800 -0.742 0.000 2.347 874 Q HA 0.313 4.285 4.340 -0.612 0.000 0.271 874 Q C -0.977 174.540 176.000 -0.806 0.000 1.064 874 Q CA -1.911 53.526 55.803 -0.611 0.000 0.800 874 Q CB 3.377 32.019 28.738 -0.160 0.000 1.304 874 Q HN 0.095 7.818 8.270 -0.912 0.000 0.438 875 M N 2.677 121.835 119.600 -0.737 0.000 2.252 875 M HA -0.211 3.996 4.480 -0.456 0.000 0.321 875 M C 0.814 177.110 176.300 -0.006 0.000 1.070 875 M CA 1.060 56.065 55.300 -0.492 0.000 1.143 875 M CB 0.585 32.631 32.600 -0.923 0.000 1.498 875 M HN 0.187 7.899 8.290 -0.963 0.000 0.445 876 A N 1.031 123.897 122.820 0.076 0.000 2.313 876 A HA 0.097 4.463 4.320 0.076 0.000 0.261 876 A C -0.355 177.262 177.584 0.057 0.000 1.090 876 A CA -0.777 51.310 52.037 0.083 0.000 0.807 876 A CB 0.726 19.745 19.000 0.032 0.000 1.055 876 A HN 0.239 8.423 8.150 0.057 0.000 0.492 877 Q N 0.486 119.963 119.800 -0.538 0.000 2.247 877 Q HA -0.121 3.535 4.340 -1.140 0.000 0.288 877 Q C -1.424 174.407 176.000 -0.282 0.000 1.079 877 Q CA -1.050 54.241 55.803 -0.854 0.000 0.932 877 Q CB 0.134 28.261 28.738 -1.019 0.000 1.133 877 Q HN 0.319 8.222 8.270 -0.611 0.000 0.377 878 P HA 0.036 4.293 4.420 -0.272 0.000 0.269 878 P C -0.140 177.037 177.300 -0.205 0.000 1.215 878 P CA -0.340 62.604 63.100 -0.259 0.000 0.780 878 P CB 0.675 32.156 31.700 -0.365 0.000 0.898 879 A N 1.307 123.984 122.820 -0.238 0.000 1.940 879 A HA -0.142 3.970 4.320 -0.347 0.000 0.219 879 A C 0.348 177.633 177.584 -0.499 0.000 1.176 879 A CA 2.271 54.057 52.037 -0.418 0.000 0.631 879 A CB -0.043 18.592 19.000 -0.609 0.000 0.814 879 A HN 0.312 8.330 8.150 -0.219 0.000 0.446 880 F N -5.021 114.910 119.950 -0.031 0.000 2.664 880 F HA 0.027 4.568 4.527 0.023 0.000 0.303 880 F C -0.900 174.991 175.800 0.152 0.000 1.092 880 F CA -0.519 57.510 58.000 0.048 0.000 1.305 880 F CB 0.481 39.511 39.000 0.050 0.000 1.054 880 F HN -0.949 7.383 8.300 0.090 0.022 0.565 881 A N 1.477 124.378 122.820 0.135 0.000 2.309 881 A HA 0.263 4.461 4.320 -0.203 0.000 0.290 881 A C -2.149 175.356 177.584 -0.132 0.000 1.206 881 A CA -2.317 49.656 52.037 -0.108 0.000 0.850 881 A CB -0.779 18.090 19.000 -0.217 0.000 1.118 881 A HN -0.642 7.364 8.150 0.031 0.162 0.523 882 P HA 0.029 4.418 4.420 -0.052 0.000 0.268 882 P C 0.179 177.433 177.300 -0.078 0.000 1.208 882 P CA -0.823 62.224 63.100 -0.087 0.000 0.777 882 P CB 1.097 32.755 31.700 -0.069 0.000 0.875 883 K N 2.453 122.838 120.400 -0.025 0.000 2.103 883 K HA -0.387 3.961 4.320 0.048 0.000 0.207 883 K C 1.682 178.319 176.600 0.062 0.000 1.048 883 K CA 3.085 59.390 56.287 0.030 0.000 0.930 883 K CB -0.227 32.289 32.500 0.026 0.000 0.716 883 K HN 0.418 8.654 8.250 -0.023 0.000 0.444 884 N N -3.627 115.102 118.700 0.049 0.000 2.331 884 N HA -0.207 4.609 4.740 0.127 0.000 0.180 884 N C 1.703 177.292 175.510 0.133 0.000 1.019 884 N CA 2.405 55.530 53.050 0.126 0.000 0.881 884 N CB -0.739 37.854 38.487 0.176 0.000 0.972 884 N HN 0.200 8.585 8.380 0.028 0.012 0.435 885 I N -0.075 120.488 120.570 -0.012 0.000 2.353 885 I HA -0.360 3.803 4.170 -0.013 0.000 0.248 885 I C 1.485 177.532 176.117 -0.118 0.000 1.119 885 I CA 1.165 62.387 61.300 -0.131 0.000 1.417 885 I CB -1.213 36.455 38.000 -0.553 0.000 1.078 885 I HN -0.818 7.352 8.210 -0.067 0.000 0.421 886 Y N 1.348 121.520 120.300 -0.214 0.000 2.274 886 Y HA -0.389 4.037 4.550 -0.207 0.000 0.290 886 Y C 1.422 177.203 175.900 -0.198 0.000 1.145 886 Y CA 2.496 60.484 58.100 -0.186 0.000 1.203 886 Y CB -0.589 37.800 38.460 -0.118 0.000 0.984 886 Y HN -0.436 7.790 8.280 0.044 0.081 0.533 887 S N -0.879 114.704 115.700 -0.194 0.000 2.423 887 S HA -0.242 4.155 4.470 -0.380 -0.155 0.231 887 S C 1.889 176.273 174.600 -0.359 0.000 1.014 887 S CA 3.254 61.278 58.200 -0.292 0.000 0.965 887 S CB -0.817 62.283 63.200 -0.167 0.000 0.785 887 S HN -0.462 7.702 8.310 -0.054 0.113 0.495 888 I N 2.063 122.471 120.570 -0.270 0.000 2.202 888 I HA -0.531 3.468 4.170 -0.284 0.000 0.242 888 I C 1.365 177.224 176.117 -0.431 0.000 1.091 888 I CA 3.460 64.607 61.300 -0.255 0.000 1.368 888 I CB -0.239 37.744 38.000 -0.029 0.000 1.058 888 I HN -0.873 7.120 8.210 -0.168 0.116 0.410 889 M N -0.846 118.402 119.600 -0.587 0.000 2.073 889 M HA -0.635 3.156 4.480 -1.148 0.000 0.258 889 M C 2.377 177.801 176.300 -1.460 0.000 1.070 889 M CA 4.456 59.059 55.300 -1.161 0.000 1.103 889 M CB -0.328 31.582 32.600 -1.151 0.000 1.321 889 M HN -0.761 7.248 8.290 -0.468 0.000 0.405 890 Q N -2.442 116.749 119.800 -1.014 0.000 2.096 890 Q HA -0.334 3.699 4.340 -0.512 0.000 0.204 890 Q C 3.073 178.807 176.000 -0.443 0.000 0.982 890 Q CA 2.818 58.234 55.803 -0.645 0.000 0.850 890 Q CB -0.215 28.189 28.738 -0.556 0.000 0.901 890 Q HN -0.370 7.322 8.270 -0.965 0.000 0.422 891 A N -0.345 122.221 122.820 -0.422 0.000 1.933 891 A HA -0.250 3.947 4.320 -0.206 0.000 0.218 891 A C 2.054 179.483 177.584 -0.260 0.000 1.175 891 A CA 2.874 54.743 52.037 -0.280 0.000 0.628 891 A CB -0.568 18.270 19.000 -0.269 0.000 0.814 891 A HN -0.413 7.461 8.150 -0.460 0.000 0.444 892 C N -3.096 115.956 119.300 -0.414 0.000 2.419 892 C HA -0.228 4.122 4.460 -0.183 0.000 0.281 892 C C 0.735 175.567 174.990 -0.263 0.000 1.336 892 C CA 5.028 63.840 59.018 -0.343 0.000 1.770 892 C CB -0.304 27.164 27.740 -0.452 0.000 1.929 892 C HN -0.215 7.605 8.230 -0.542 0.085 0.509 893 W N -3.621 117.404 121.300 -0.459 0.000 3.223 893 W HA 0.046 3.862 4.660 -1.406 0.000 0.389 893 W C -1.012 175.360 176.519 -0.245 0.000 1.118 893 W CA -2.707 54.136 57.345 -0.837 0.000 1.902 893 W CB -1.944 26.924 29.460 -0.986 0.000 1.094 893 W HN -0.732 7.011 8.180 -0.479 0.150 0.666 894 A N 0.585 123.474 122.820 0.114 0.000 2.546 894 A HA -0.125 4.253 4.320 0.096 0.000 0.243 894 A C 0.184 177.948 177.584 0.300 0.000 1.063 894 A CA 0.337 52.462 52.037 0.146 0.000 0.757 894 A CB 0.808 19.866 19.000 0.097 0.000 0.991 894 A HN -0.749 7.367 8.150 0.044 0.060 0.503 895 L N 1.405 122.763 121.223 0.226 0.000 2.093 895 L HA -0.265 4.288 4.340 0.355 0.000 0.208 895 L C 0.264 177.218 176.870 0.140 0.000 1.085 895 L CA 1.483 56.459 54.840 0.227 0.000 0.755 895 L CB 0.209 42.344 42.059 0.127 0.000 0.904 895 L HN 0.244 8.558 8.230 0.140 0.000 0.435 896 E N -0.802 119.448 120.200 0.083 0.000 2.180 896 E HA 0.224 4.619 4.350 0.077 0.000 0.283 896 E C -0.941 175.753 176.600 0.156 0.000 1.061 896 E CA -2.966 53.491 56.400 0.095 0.000 0.861 896 E CB 0.079 29.825 29.700 0.076 0.000 1.056 896 E HN -0.480 7.900 8.360 0.033 0.000 0.407 897 P HA -0.173 4.328 4.420 0.135 0.000 0.216 897 P C 0.562 177.913 177.300 0.085 0.000 1.150 897 P CA 2.244 65.407 63.100 0.106 0.000 0.843 897 P CB 0.330 32.064 31.700 0.058 0.000 0.787 898 T N -5.634 108.966 114.554 0.078 0.000 3.160 898 T HA -0.190 4.154 4.350 -0.010 0.000 0.257 898 T C 0.693 175.370 174.700 -0.038 0.000 1.147 898 T CA 1.395 63.501 62.100 0.010 0.000 1.064 898 T CB -0.605 68.251 68.868 -0.019 0.000 0.949 898 T HN -0.491 8.056 8.240 0.094 -0.250 0.526 899 H N 0.314 119.379 119.070 -0.008 0.000 2.592 899 H HA 0.140 4.678 4.556 -0.030 0.000 0.265 899 H C -0.092 175.214 175.328 -0.038 0.000 0.955 899 H CA 1.708 57.743 56.048 -0.020 0.000 1.175 899 H CB 0.684 30.442 29.762 -0.008 0.000 1.433 899 H HN -0.456 7.786 8.280 0.229 0.175 0.537 900 R N -0.223 120.315 120.500 0.063 0.000 2.615 900 R HA 0.094 4.578 4.340 -0.019 -0.156 0.270 900 R C -1.745 174.506 176.300 -0.082 0.000 1.081 900 R CA -1.786 54.308 56.100 -0.010 0.000 1.154 900 R CB -0.079 30.229 30.300 0.012 0.000 1.063 900 R HN -0.824 7.455 8.270 0.078 0.038 0.519 901 P HA 0.115 4.589 4.420 -0.129 -0.131 0.274 901 P C -0.644 176.534 177.300 -0.204 0.000 1.246 901 P CA -0.780 62.228 63.100 -0.154 0.000 0.795 901 P CB 1.002 32.601 31.700 -0.168 0.000 1.006 902 T N -4.567 109.886 114.554 -0.167 0.000 2.847 902 T HA 0.213 4.408 4.350 -0.257 0.000 0.279 902 T C 1.416 175.991 174.700 -0.207 0.000 0.984 902 T CA -2.511 59.478 62.100 -0.186 0.000 0.988 902 T CB 2.277 71.104 68.868 -0.068 0.000 1.040 902 T HN -0.289 8.141 8.240 -0.122 -0.264 0.528 903 F N -0.403 119.496 119.950 -0.085 0.000 2.234 903 F HA -0.309 4.097 4.527 -0.202 0.000 0.299 903 F C 2.030 177.776 175.800 -0.089 0.000 1.087 903 F CA 4.775 62.691 58.000 -0.139 0.000 1.340 903 F CB -0.183 38.724 39.000 -0.154 0.000 1.031 903 F HN 0.640 8.912 8.300 -0.046 0.000 0.500 904 Q N -1.582 118.289 119.800 0.118 0.000 2.172 904 Q HA -0.286 4.109 4.340 0.091 0.000 0.200 904 Q C 2.082 178.118 176.000 0.060 0.000 0.964 904 Q CA 2.986 58.838 55.803 0.082 0.000 0.855 904 Q CB -0.955 27.823 28.738 0.066 0.000 0.918 904 Q HN 0.038 8.357 8.270 0.106 0.015 0.444 905 Q N -0.114 119.703 119.800 0.030 0.000 2.172 905 Q HA -0.209 4.156 4.340 0.042 0.000 0.200 905 Q C 2.794 178.830 176.000 0.060 0.000 0.964 905 Q CA 2.796 58.614 55.803 0.025 0.000 0.855 905 Q CB 0.079 28.802 28.738 -0.025 0.000 0.918 905 Q HN -0.704 7.571 8.270 0.009 0.000 0.444 906 I N 0.413 121.008 120.570 0.042 0.000 2.202 906 I HA -0.468 3.782 4.170 0.133 0.000 0.242 906 I C 1.552 177.764 176.117 0.158 0.000 1.091 906 I CA 3.978 65.337 61.300 0.099 0.000 1.368 906 I CB -0.112 37.900 38.000 0.020 0.000 1.058 906 I HN -0.583 7.632 8.210 0.007 0.000 0.410 907 C N -0.766 118.601 119.300 0.112 0.000 2.393 907 C HA -0.529 3.996 4.460 0.108 0.000 0.276 907 C C 1.909 176.958 174.990 0.098 0.000 1.215 907 C CA 5.729 64.809 59.018 0.103 0.000 1.743 907 C CB -0.682 27.109 27.740 0.085 0.000 2.044 907 C HN 0.001 8.288 8.230 0.094 0.000 0.464 908 S N 0.254 116.014 115.700 0.101 0.000 2.383 908 S HA -0.254 4.254 4.470 0.062 0.000 0.227 908 S C 1.630 176.300 174.600 0.116 0.000 1.026 908 S CA 2.814 61.068 58.200 0.089 0.000 0.981 908 S CB -1.158 62.090 63.200 0.082 0.000 0.818 908 S HN -0.299 8.070 8.310 0.100 0.000 0.472 909 F N 4.864 124.822 119.950 0.015 0.000 2.146 909 F HA -0.145 4.386 4.527 0.006 0.000 0.298 909 F C 1.475 177.289 175.800 0.024 0.000 1.096 909 F CA 2.956 60.962 58.000 0.011 0.000 1.275 909 F CB 0.171 39.172 39.000 0.001 0.000 1.008 909 F HN -0.677 7.797 8.300 0.290 0.000 0.480 910 L N -2.510 118.717 121.223 0.007 0.000 2.131 910 L HA -0.443 3.795 4.340 -0.170 0.000 0.210 910 L C 2.006 178.816 176.870 -0.100 0.000 1.092 910 L CA 2.621 57.423 54.840 -0.064 0.000 0.759 910 L CB -0.401 41.717 42.059 0.099 0.000 0.903 910 L HN -0.093 8.231 8.230 0.157 0.000 0.435 911 Q N -0.765 119.000 119.800 -0.059 0.000 2.049 911 Q HA -0.314 3.992 4.340 -0.057 0.000 0.198 911 Q C 2.675 178.620 176.000 -0.092 0.000 0.971 911 Q CA 3.392 59.160 55.803 -0.057 0.000 0.833 911 Q CB 0.358 29.085 28.738 -0.019 0.000 0.896 911 Q HN -0.198 7.959 8.270 -0.018 0.102 0.434 912 E N -0.628 119.503 120.200 -0.115 0.000 2.204 912 E HA -0.225 4.079 4.350 -0.076 0.000 0.195 912 E C 1.628 178.107 176.600 -0.201 0.000 0.990 912 E CA 2.481 58.806 56.400 -0.125 0.000 0.821 912 E CB -0.312 29.336 29.700 -0.086 0.000 0.750 912 E HN -0.214 8.086 8.360 -0.099 0.000 0.477 913 Q N -3.956 115.647 119.800 -0.329 0.000 2.247 913 Q HA 0.028 4.199 4.340 -0.283 0.000 0.205 913 Q C -0.961 174.943 176.000 -0.160 0.000 0.896 913 Q CA -0.121 55.488 55.803 -0.324 0.000 0.950 913 Q CB 0.310 28.721 28.738 -0.545 0.000 1.054 913 Q HN -0.465 7.454 8.270 -0.375 0.126 0.482 914 A N 0.000 122.754 122.820 -0.111 0.000 2.254 914 A HA 0.000 4.297 4.320 -0.038 0.000 0.244 914 A CA 0.000 52.005 52.037 -0.054 0.000 0.836 914 A CB 0.000 18.973 19.000 -0.045 0.000 0.831 914 A HN 0.000 7.907 8.150 -0.116 0.174 0.486