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 1kyf_1_A DATA FIRST_RESID 692 DATA SEQUENCE GSPGIRLGSS EDNFARFVCK NNGVLFENQL LQIGLKSEFR QNLGRMFIFY DATA SEQUENCE GNKTSTQFLN FTPTLICADD LQTNLNLQTK PVDPTVDGGA QVQQVVNIEC DATA SEQUENCE ISDFTEAPVL NIQFRYGGTF QNVSVKLPIT LNKFFQPTEM ASQDFFQRWK DATA SEQUENCE QLSNPQQEVQ NIFKAKHPMD TEITKAKIIG FGSALLEEVD PNPANFVGAG DATA SEQUENCE IIHTKTTQIG CLLRLEPNLQ AQMYRLTLRT SKDTVSQRLC ELLSEQF 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 692 G HA2 0.000 nan 3.960 nan 0.000 0.244 692 G HA3 0.000 3.945 3.960 -0.025 0.000 0.244 692 G C 0.000 174.891 174.900 -0.015 0.000 0.946 692 G CA 0.000 45.089 45.100 -0.018 0.000 0.502 693 S N 0.576 116.265 115.700 -0.019 0.000 4.575 693 S HA -0.084 4.377 4.470 -0.015 0.000 0.533 693 S C -1.600 172.995 174.600 -0.007 0.000 0.829 693 S CA -0.491 57.699 58.200 -0.016 0.000 1.281 693 S CB -0.339 62.847 63.200 -0.022 0.000 1.614 693 S HN -0.205 8.090 8.310 -0.025 0.000 0.423 694 P HA 0.138 4.560 4.420 0.003 0.000 0.274 694 P C -0.477 176.825 177.300 0.005 0.000 1.246 694 P CA 0.023 63.124 63.100 0.001 0.000 0.795 694 P CB 0.846 32.547 31.700 0.001 0.000 1.006 695 G N -0.169 108.636 108.800 0.008 0.000 2.707 695 G HA2 -0.208 3.760 3.960 0.012 0.000 0.686 695 G HA3 -0.208 3.759 3.960 0.011 0.000 0.686 695 G C -0.516 174.394 174.900 0.017 0.000 1.315 695 G CA -0.874 44.234 45.100 0.012 0.000 0.832 695 G HN -0.076 8.219 8.290 0.008 0.000 0.573 696 I N 0.341 120.923 120.570 0.020 0.000 2.668 696 I HA -0.183 4.002 4.170 0.025 0.000 0.285 696 I C 1.151 177.287 176.117 0.032 0.000 1.168 696 I CA -0.110 61.205 61.300 0.025 0.000 1.424 696 I CB 0.388 38.403 38.000 0.025 0.000 1.377 696 I HN -0.104 8.118 8.210 0.019 0.000 0.560 697 R N 9.989 130.511 120.500 0.037 0.000 4.138 697 R HA 0.183 4.552 4.340 0.048 0.000 0.206 697 R C -1.431 174.904 176.300 0.059 0.000 1.667 697 R CA -1.364 54.766 56.100 0.049 0.000 1.481 697 R CB -2.708 27.623 30.300 0.052 0.000 1.388 697 R HN 0.436 nan 8.270 nan 0.000 0.776 698 L N -0.873 120.384 121.223 0.055 0.000 2.476 698 L HA 0.100 4.688 4.340 0.063 -0.210 0.269 698 L C -0.298 176.610 176.870 0.062 0.000 0.965 698 L CA 0.624 55.498 54.840 0.056 0.000 0.845 698 L CB 2.349 44.434 42.059 0.043 0.000 1.259 698 L HN -0.445 7.743 8.230 0.050 0.072 0.403 699 G N 5.252 114.099 108.800 0.079 0.000 2.143 699 G HA2 -0.389 3.642 3.960 0.118 0.000 0.248 699 G HA3 -0.389 3.618 3.960 0.079 0.000 0.248 699 G C -0.790 174.176 174.900 0.110 0.000 0.991 699 G CA 0.073 45.232 45.100 0.098 0.000 0.689 699 G HN 0.191 8.887 8.290 0.080 -0.359 0.522 700 S N -0.664 115.102 115.700 0.109 0.000 2.694 700 S HA 0.232 4.747 4.470 0.075 0.000 0.278 700 S C 1.281 175.953 174.600 0.120 0.000 1.152 700 S CA -0.989 57.267 58.200 0.093 0.000 1.010 700 S CB 1.914 65.155 63.200 0.068 0.000 1.104 700 S HN -0.330 8.273 8.310 0.108 -0.229 0.547 701 S N -3.028 112.719 115.700 0.077 0.000 2.603 701 S HA 0.124 4.768 4.470 0.076 -0.128 0.220 701 S C 0.516 175.176 174.600 0.100 0.000 0.967 701 S CA 1.019 59.260 58.200 0.068 0.000 0.920 701 S CB -0.163 63.047 63.200 0.017 0.000 0.773 701 S HN 0.315 8.657 8.310 0.053 0.000 0.529 702 E N -2.692 117.576 120.200 0.113 0.000 3.067 702 E HA 0.279 4.752 4.350 0.204 0.000 0.188 702 E C 0.258 176.974 176.600 0.194 0.000 0.964 702 E CA -0.852 55.637 56.400 0.147 0.000 1.286 702 E CB 0.451 30.160 29.700 0.015 0.000 1.051 702 E HN -0.364 7.983 8.360 0.106 0.077 0.465 703 D N 2.200 122.715 120.400 0.190 0.000 2.133 703 D HA -0.288 4.435 4.640 0.139 0.000 0.195 703 D C 0.724 177.144 176.300 0.199 0.000 0.997 703 D CA 3.502 57.603 54.000 0.169 0.000 0.840 703 D CB -0.086 40.804 40.800 0.151 0.000 0.947 703 D HN 0.104 8.593 8.370 0.198 0.000 0.452 704 N N -3.398 115.455 118.700 0.255 0.000 2.204 704 N HA 0.088 4.974 4.740 0.244 0.000 0.219 704 N C 0.538 176.287 175.510 0.399 0.000 1.151 704 N CA -0.546 52.683 53.050 0.299 0.000 0.867 704 N CB 0.059 38.752 38.487 0.343 0.000 1.043 704 N HN -0.045 8.495 8.380 0.267 0.000 0.516 705 F N 4.428 124.506 119.950 0.214 0.000 2.091 705 F HA -0.437 4.221 4.527 0.219 0.000 0.299 705 F C 0.953 176.901 175.800 0.247 0.000 1.103 705 F CA 4.158 62.287 58.000 0.214 0.000 1.228 705 F CB 0.322 39.399 39.000 0.128 0.000 0.984 705 F HN -0.757 7.817 8.300 0.456 0.000 0.477 706 A N -3.316 119.721 122.820 0.362 0.000 2.125 706 A HA -0.244 4.209 4.320 0.221 0.000 0.219 706 A C 1.828 179.442 177.584 0.050 0.000 1.156 706 A CA 2.214 54.373 52.037 0.204 0.000 0.671 706 A CB -0.948 18.168 19.000 0.194 0.000 0.794 706 A HN 0.454 8.847 8.150 0.406 0.000 0.459 707 R N -4.286 116.233 120.500 0.032 0.000 2.313 707 R HA -0.138 4.076 4.340 -0.209 0.000 0.199 707 R C -0.035 175.966 176.300 -0.498 0.000 0.958 707 R CA 1.514 57.478 56.100 -0.227 0.000 1.047 707 R CB -0.114 30.014 30.300 -0.287 0.000 0.955 707 R HN -0.558 7.751 8.270 0.151 0.052 0.481 708 F N -3.429 116.436 119.950 -0.141 0.000 2.735 708 F HA 0.334 4.907 4.527 -0.101 -0.106 0.304 708 F C 0.349 176.035 175.800 -0.189 0.000 1.119 708 F CA -0.290 57.614 58.000 -0.160 0.000 1.280 708 F CB 0.443 39.327 39.000 -0.194 0.000 0.994 708 F HN -0.428 7.819 8.300 0.051 0.083 0.520 709 V N 0.935 120.813 119.914 -0.059 0.000 2.500 709 V HA -0.149 3.930 4.120 -0.067 0.000 0.243 709 V C 0.633 176.731 176.094 0.006 0.000 1.039 709 V CA 3.333 65.618 62.300 -0.026 0.000 1.053 709 V CB 0.662 32.518 31.823 0.054 0.000 0.695 709 V HN -0.648 7.497 8.190 -0.076 0.000 0.463 710 C N -5.118 114.175 119.300 -0.012 0.000 3.038 710 C HA 0.158 4.781 4.460 0.059 -0.128 0.279 710 C C -1.472 173.491 174.990 -0.046 0.000 1.276 710 C CA -0.756 58.265 59.018 0.004 0.000 1.697 710 C CB -1.727 25.999 27.740 -0.023 0.000 2.032 710 C HN 0.149 8.344 8.230 -0.058 0.000 0.636 711 K N -2.955 117.399 120.400 -0.077 0.000 2.509 711 K HA 0.178 4.482 4.320 -0.027 0.000 0.266 711 K C -1.760 174.848 176.600 0.014 0.000 0.987 711 K CA -0.684 55.566 56.287 -0.063 0.000 0.868 711 K CB 2.582 35.001 32.500 -0.135 0.000 1.421 711 K HN -0.608 7.535 8.250 -0.095 0.050 0.444 712 N N -1.761 116.990 118.700 0.085 0.000 2.294 712 N HA 0.037 4.937 4.740 0.267 0.000 0.186 712 N C -1.066 174.609 175.510 0.275 0.000 1.107 712 N CA 0.121 53.299 53.050 0.212 0.000 0.884 712 N CB 1.291 39.905 38.487 0.212 0.000 1.030 712 N HN 0.367 8.780 8.380 0.055 0.000 0.482 713 N N -2.136 116.667 118.700 0.172 0.000 2.314 713 N HA 0.425 5.533 4.740 0.272 -0.205 0.304 713 N C -1.286 174.346 175.510 0.204 0.000 1.073 713 N CA -0.852 52.317 53.050 0.199 0.000 0.822 713 N CB 2.896 41.439 38.487 0.094 0.000 1.280 713 N HN -0.597 7.832 8.380 0.081 0.000 0.489 714 G N 0.134 109.139 108.800 0.342 0.000 2.362 714 G HA2 -0.140 3.914 3.960 0.157 0.000 0.288 714 G HA3 -0.140 3.961 3.960 0.236 0.000 0.288 714 G C -3.146 172.008 174.900 0.424 0.000 1.305 714 G CA -0.141 45.142 45.100 0.305 0.000 0.910 714 G HN -0.134 8.362 8.290 0.344 0.000 0.518 715 V N 1.110 121.242 119.914 0.363 0.000 2.368 715 V HA 0.101 4.450 4.120 0.200 -0.109 0.266 715 V C -0.198 176.095 176.094 0.332 0.000 1.045 715 V CA 0.114 62.573 62.300 0.265 0.000 0.899 715 V CB -0.277 31.636 31.823 0.149 0.000 1.006 715 V HN 0.235 8.598 8.190 0.288 0.000 0.470 716 L N 7.745 129.022 121.223 0.091 0.000 2.131 716 L HA -0.048 4.206 4.340 -0.144 0.000 0.206 716 L C -1.586 175.400 176.870 0.192 0.000 1.087 716 L CA 1.519 56.318 54.840 -0.068 0.000 0.767 716 L CB 1.620 43.505 42.059 -0.291 0.000 0.917 716 L HN 0.220 8.482 8.230 0.053 0.000 0.441 717 F N -4.866 115.116 119.950 0.053 0.000 2.628 717 F HA 0.221 4.801 4.527 0.088 0.000 0.309 717 F C -2.946 172.908 175.800 0.092 0.000 1.108 717 F CA -0.761 57.287 58.000 0.080 0.000 0.971 717 F CB 3.952 42.999 39.000 0.079 0.000 1.279 717 F HN -0.907 7.533 8.300 0.233 0.000 0.441 718 E N 7.844 127.599 120.200 -0.743 0.000 2.313 718 E HA 0.441 4.847 4.350 -0.243 -0.202 0.280 718 E C -1.916 174.295 176.600 -0.648 0.000 0.898 718 E CA -1.126 54.999 56.400 -0.459 0.000 0.803 718 E CB 2.170 31.777 29.700 -0.154 0.000 1.286 718 E HN 0.089 7.844 8.360 -1.010 0.000 0.401 719 N N 7.201 125.637 118.700 -0.440 0.000 2.717 719 N HA 0.323 4.925 4.740 -0.230 0.000 0.314 719 N C 0.295 175.792 175.510 -0.021 0.000 1.324 719 N CA -1.295 51.652 53.050 -0.171 0.000 0.902 719 N CB 0.544 39.062 38.487 0.050 0.000 1.126 719 N HN 0.208 8.439 8.380 -0.248 0.000 0.579 720 Q N -3.253 116.565 119.800 0.029 0.000 2.425 720 Q HA 0.023 4.376 4.340 0.021 0.000 0.204 720 Q C 0.114 176.146 176.000 0.055 0.000 0.933 720 Q CA 1.633 57.457 55.803 0.034 0.000 0.939 720 Q CB -0.097 28.661 28.738 0.034 0.000 1.044 720 Q HN 0.354 8.649 8.270 0.042 0.000 0.513 721 L N -4.834 116.447 121.223 0.097 0.000 2.467 721 L HA 0.138 4.530 4.340 0.086 0.000 0.213 721 L C -1.118 175.926 176.870 0.289 0.000 1.053 721 L CA 0.532 55.457 54.840 0.142 0.000 0.847 721 L CB 1.793 43.905 42.059 0.089 0.000 1.075 721 L HN -0.385 8.153 8.230 0.121 -0.235 0.479 722 L N -1.823 119.570 121.223 0.284 0.000 2.436 722 L HA 0.764 5.518 4.340 0.343 -0.209 0.268 722 L C -2.901 174.148 176.870 0.297 0.000 0.974 722 L CA -1.692 53.352 54.840 0.340 0.000 0.826 722 L CB 4.172 46.468 42.059 0.395 0.000 1.291 722 L HN -0.160 8.518 8.230 0.252 -0.296 0.406 723 Q N 5.903 125.850 119.800 0.244 0.000 2.293 723 Q HA 0.576 5.173 4.340 0.193 -0.141 0.261 723 Q C -1.594 174.561 176.000 0.257 0.000 0.960 723 Q CA -1.761 54.165 55.803 0.206 0.000 0.882 723 Q CB 3.440 32.246 28.738 0.113 0.000 1.275 723 Q HN 0.360 8.763 8.270 0.222 0.000 0.445 724 I N 6.979 127.717 120.570 0.281 0.000 2.354 724 I HA 0.742 5.202 4.170 0.107 -0.226 0.286 724 I C -1.080 175.104 176.117 0.113 0.000 1.007 724 I CA -1.648 59.758 61.300 0.177 0.000 1.167 724 I CB 1.038 39.168 38.000 0.217 0.000 1.320 724 I HN 0.732 9.132 8.210 0.318 0.000 0.458 725 G N 5.587 114.455 108.800 0.113 0.000 2.461 725 G HA2 0.848 5.031 3.960 0.141 0.000 0.329 725 G HA3 0.848 4.931 3.960 0.204 0.000 0.329 725 G C -2.465 172.563 174.900 0.214 0.000 1.170 725 G CA -2.031 43.172 45.100 0.173 0.000 0.935 725 G HN 0.392 8.752 8.290 0.116 0.000 0.492 726 L N -1.038 120.324 121.223 0.232 0.000 2.388 726 L HA 0.976 5.617 4.340 0.165 -0.202 0.264 726 L C -1.213 175.851 176.870 0.323 0.000 0.998 726 L CA -1.389 53.575 54.840 0.206 0.000 0.817 726 L CB 4.513 46.588 42.059 0.027 0.000 1.338 726 L HN 0.269 8.639 8.230 0.232 0.000 0.414 727 K N 0.111 120.718 120.400 0.344 0.000 2.513 727 K HA 0.397 4.857 4.320 0.232 0.000 0.251 727 K C -1.946 174.808 176.600 0.257 0.000 0.939 727 K CA -0.696 55.763 56.287 0.287 0.000 0.793 727 K CB 3.921 36.585 32.500 0.273 0.000 1.241 727 K HN 0.207 8.649 8.250 0.319 0.000 0.431 728 S N 2.416 118.222 115.700 0.178 0.000 2.595 728 S HA 0.902 5.574 4.470 0.042 -0.177 0.281 728 S C -1.564 173.039 174.600 0.006 0.000 1.117 728 S CA -1.166 57.069 58.200 0.058 0.000 0.873 728 S CB 3.492 66.734 63.200 0.071 0.000 1.108 728 S HN 0.130 8.545 8.310 0.175 0.000 0.477 729 E N -0.181 119.883 120.200 -0.227 0.000 2.331 729 E HA 0.324 4.683 4.350 0.016 0.000 0.275 729 E C -1.953 174.364 176.600 -0.472 0.000 0.895 729 E CA -0.966 55.344 56.400 -0.150 0.000 0.753 729 E CB 4.147 33.831 29.700 -0.026 0.000 1.216 729 E HN 0.021 8.150 8.360 -0.384 0.000 0.434 730 F N 0.918 120.875 119.950 0.011 0.000 2.565 730 F HA 0.562 5.246 4.527 0.029 -0.139 0.313 730 F C 0.618 176.451 175.800 0.055 0.000 1.091 730 F CA -0.972 57.029 58.000 0.003 0.000 0.915 730 F CB 2.807 41.727 39.000 -0.132 0.000 1.208 730 F HN 0.058 8.467 8.300 0.183 0.000 0.453 731 R N 5.191 125.850 120.500 0.265 0.000 2.566 731 R HA 0.299 4.765 4.340 0.210 0.000 0.271 731 R C -0.807 175.629 176.300 0.227 0.000 1.071 731 R CA 0.091 56.314 56.100 0.206 0.000 0.915 731 R CB 1.832 32.204 30.300 0.119 0.000 1.228 731 R HN 0.212 nan 8.270 nan 0.000 0.449 732 Q N 2.521 122.445 119.800 0.208 0.000 1.520 732 Q HA -0.456 3.918 4.340 0.056 0.000 0.380 732 Q C -1.436 174.761 176.000 0.329 0.000 0.930 732 Q CA 1.945 57.826 55.803 0.131 0.000 0.725 732 Q CB 0.211 28.936 28.738 -0.022 0.000 4.230 732 Q HN 0.390 8.784 8.270 0.208 0.000 0.635 733 N N -1.911 116.919 118.700 0.216 0.000 2.313 733 N HA -0.044 4.949 4.740 0.234 -0.113 0.207 733 N C -0.926 174.703 175.510 0.198 0.000 1.141 733 N CA 0.434 53.577 53.050 0.155 0.000 0.830 733 N CB -0.311 38.152 38.487 -0.040 0.000 1.008 733 N HN 0.012 8.453 8.380 0.102 0.000 0.481 734 L N -2.307 119.154 121.223 0.398 0.000 2.301 734 L HA 0.850 5.539 4.340 0.303 -0.168 0.264 734 L C -0.796 176.329 176.870 0.425 0.000 1.016 734 L CA -1.483 53.560 54.840 0.338 0.000 0.821 734 L CB 4.043 46.185 42.059 0.138 0.000 1.346 734 L HN -0.376 7.995 8.230 0.401 0.100 0.429 735 G N -0.907 108.006 108.800 0.190 0.000 2.684 735 G HA2 0.352 4.225 3.960 -0.340 0.000 0.290 735 G HA3 0.352 3.959 3.960 -0.588 0.000 0.290 735 G C -2.204 172.528 174.900 -0.281 0.000 1.425 735 G CA 0.332 45.269 45.100 -0.271 0.000 0.822 735 G HN 0.126 8.519 8.290 0.170 0.000 0.482 736 R N 3.016 123.256 120.500 -0.433 0.000 2.502 736 R HA 0.698 4.861 4.340 -0.295 0.000 0.300 736 R C -2.168 173.922 176.300 -0.350 0.000 0.984 736 R CA -0.126 55.777 56.100 -0.327 0.000 0.882 736 R CB 2.804 32.959 30.300 -0.243 0.000 1.180 736 R HN 0.247 nan 8.270 nan 0.000 0.444 737 M N 5.801 125.209 119.600 -0.321 0.000 2.181 737 M HA 0.262 4.816 4.480 -0.104 -0.136 0.323 737 M C -2.560 173.562 176.300 -0.296 0.000 1.004 737 M CA -0.291 54.889 55.300 -0.199 0.000 0.941 737 M CB 3.190 35.720 32.600 -0.116 0.000 1.579 737 M HN 0.600 8.699 8.290 -0.319 0.000 0.427 738 F N 6.208 126.037 119.950 -0.202 0.000 2.411 738 F HA 0.574 5.045 4.527 -0.395 -0.181 0.350 738 F C -0.474 174.977 175.800 -0.581 0.000 1.114 738 F CA -1.090 56.663 58.000 -0.411 0.000 1.135 738 F CB 1.199 39.956 39.000 -0.406 0.000 1.120 738 F HN 0.661 9.102 8.300 0.236 0.000 0.495 739 I N 1.916 122.158 120.570 -0.547 0.000 2.362 739 I HA 0.484 4.566 4.170 -0.430 -0.169 0.289 739 I C -1.199 174.389 176.117 -0.882 0.000 0.994 739 I CA -1.119 59.829 61.300 -0.586 0.000 1.158 739 I CB 1.911 39.643 38.000 -0.447 0.000 1.315 739 I HN 0.701 8.613 8.210 -0.496 0.000 0.451 740 F N 6.028 125.770 119.950 -0.346 0.000 2.388 740 F HA 0.422 4.981 4.527 -0.171 -0.134 0.358 740 F C -0.598 175.011 175.800 -0.318 0.000 1.122 740 F CA -1.838 56.015 58.000 -0.244 0.000 1.056 740 F CB 1.905 40.850 39.000 -0.093 0.000 1.155 740 F HN 0.671 8.724 8.300 -0.239 0.103 0.461 741 Y N 3.275 123.678 120.300 0.171 0.000 2.434 741 Y HA 0.394 5.186 4.550 0.167 -0.142 0.341 741 Y C -0.198 175.706 175.900 0.007 0.000 0.965 741 Y CA -1.599 56.561 58.100 0.101 0.000 1.205 741 Y CB 0.499 38.987 38.460 0.047 0.000 1.121 741 Y HN 0.767 9.116 8.280 0.114 0.000 0.507 742 G N 3.131 112.030 108.800 0.166 0.000 2.335 742 G HA2 0.191 4.308 3.960 0.007 0.000 0.314 742 G HA3 0.191 4.187 3.960 0.060 0.000 0.314 742 G C -2.281 172.639 174.900 0.032 0.000 1.129 742 G CA -1.687 43.447 45.100 0.058 0.000 0.912 742 G HN 0.876 9.293 8.290 0.211 0.000 0.443 743 N N 5.349 123.959 118.700 -0.149 0.000 2.415 743 N HA 0.220 4.962 4.740 -0.201 -0.123 0.246 743 N C 0.335 175.741 175.510 -0.172 0.000 1.078 743 N CA -1.496 51.345 53.050 -0.348 0.000 0.942 743 N CB 0.757 38.704 38.487 -0.900 0.000 1.140 743 N HN 0.119 8.387 8.380 -0.185 0.000 0.501 744 K N 6.435 126.819 120.400 -0.026 0.000 2.487 744 K HA -0.062 4.249 4.320 -0.015 0.000 0.192 744 K C 0.366 176.965 176.600 -0.002 0.000 1.027 744 K CA 0.771 57.059 56.287 0.000 0.000 1.054 744 K CB 0.230 32.758 32.500 0.045 0.000 0.824 744 K HN 0.326 8.613 8.250 0.061 0.000 0.510 745 T N -4.252 110.289 114.554 -0.022 0.000 2.893 745 T HA 0.252 4.644 4.350 0.070 0.000 0.279 745 T C -0.508 174.205 174.700 0.023 0.000 0.991 745 T CA -2.013 60.118 62.100 0.052 0.000 0.950 745 T CB 2.236 71.210 68.868 0.177 0.000 1.223 745 T HN -0.330 8.072 8.240 -0.089 -0.215 0.585 746 S N -0.925 114.824 115.700 0.081 0.000 2.572 746 S HA 0.232 4.706 4.470 0.007 0.000 0.228 746 S C 0.346 174.976 174.600 0.051 0.000 0.963 746 S CA -0.321 57.905 58.200 0.043 0.000 0.939 746 S CB -0.426 62.801 63.200 0.045 0.000 0.804 746 S HN 0.420 8.811 8.310 0.135 0.000 0.480 747 T N 3.773 118.389 114.554 0.104 0.000 2.907 747 T HA 0.172 4.554 4.350 0.054 0.000 0.292 747 T C -1.735 173.019 174.700 0.090 0.000 1.043 747 T CA -0.946 61.220 62.100 0.110 0.000 1.003 747 T CB 2.575 71.526 68.868 0.138 0.000 1.084 747 T HN -0.576 7.679 8.240 0.149 0.075 0.483 748 Q N 1.162 121.002 119.800 0.067 0.000 2.392 748 Q HA 0.005 4.489 4.340 -0.080 -0.193 0.262 748 Q C 0.194 176.383 176.000 0.316 0.000 1.003 748 Q CA 0.481 56.317 55.803 0.054 0.000 0.888 748 Q CB 0.908 29.683 28.738 0.062 0.000 1.260 748 Q HN 0.198 8.501 8.270 0.056 0.000 0.435 749 F N 0.696 120.736 119.950 0.150 0.000 2.394 749 F HA 0.441 5.356 4.527 0.391 -0.153 0.340 749 F C -0.104 175.816 175.800 0.199 0.000 1.105 749 F CA -2.906 55.242 58.000 0.247 0.000 1.124 749 F CB 0.312 39.388 39.000 0.126 0.000 1.145 749 F HN 0.065 8.350 8.300 -0.025 0.000 0.505 750 L N 0.054 121.534 121.223 0.428 0.000 2.322 750 L HA 0.393 4.871 4.340 0.229 0.000 0.269 750 L C -0.173 176.855 176.870 0.265 0.000 1.012 750 L CA -1.461 53.536 54.840 0.262 0.000 0.815 750 L CB 2.265 44.418 42.059 0.157 0.000 1.295 750 L HN 0.084 8.598 8.230 0.473 0.000 0.438 751 N N -4.038 114.775 118.700 0.190 0.000 2.721 751 N HA -0.422 4.391 4.740 0.121 0.000 0.249 751 N C -0.911 174.709 175.510 0.184 0.000 1.072 751 N CA 0.862 54.002 53.050 0.149 0.000 0.710 751 N CB -0.957 37.590 38.487 0.099 0.000 0.993 751 N HN 0.514 8.991 8.380 0.162 0.000 0.547 752 F N 2.385 122.393 119.950 0.095 0.000 2.494 752 F HA 0.025 4.764 4.527 0.122 -0.139 0.369 752 F C -0.595 175.190 175.800 -0.026 0.000 1.098 752 F CA 1.071 59.104 58.000 0.054 0.000 1.154 752 F CB 0.856 39.862 39.000 0.010 0.000 1.103 752 F HN -0.175 8.217 8.300 0.363 0.126 0.549 753 T N 10.265 124.588 114.554 -0.384 0.000 3.038 753 T HA 0.436 4.695 4.350 -0.152 0.000 0.344 753 T C -2.446 172.033 174.700 -0.367 0.000 1.054 753 T CA -2.360 59.589 62.100 -0.251 0.000 1.092 753 T CB 1.056 69.855 68.868 -0.115 0.000 1.031 753 T HN 0.624 8.531 8.240 -0.556 0.000 0.482 754 P HA 0.685 5.124 4.420 -0.299 -0.198 0.290 754 P C -0.711 176.520 177.300 -0.115 0.000 1.276 754 P CA -1.479 61.458 63.100 -0.272 0.000 0.808 754 P CB 0.673 32.212 31.700 -0.269 0.000 0.966 755 T N 0.185 114.688 114.554 -0.084 0.000 2.912 755 T HA 0.384 4.708 4.350 -0.042 0.000 0.299 755 T C -1.099 173.582 174.700 -0.032 0.000 1.052 755 T CA -1.719 60.349 62.100 -0.052 0.000 0.996 755 T CB 3.207 72.039 68.868 -0.060 0.000 1.070 755 T HN 0.667 8.850 8.240 -0.096 0.000 0.465 756 L N 4.043 125.252 121.223 -0.023 0.000 2.295 756 L HA 0.675 5.167 4.340 -0.010 -0.158 0.285 756 L C -0.347 176.509 176.870 -0.023 0.000 1.035 756 L CA -0.962 53.868 54.840 -0.016 0.000 0.806 756 L CB 1.386 43.436 42.059 -0.014 0.000 1.214 756 L HN 0.295 8.510 8.230 -0.025 0.000 0.426 757 I N 3.644 124.202 120.570 -0.020 0.000 2.498 757 I HA 0.253 4.407 4.170 -0.027 0.000 0.290 757 I C -1.271 174.835 176.117 -0.019 0.000 1.032 757 I CA -1.034 60.252 61.300 -0.023 0.000 1.073 757 I CB 4.007 41.991 38.000 -0.027 0.000 1.251 757 I HN 0.672 8.873 8.210 -0.015 0.000 0.426 758 C N 6.649 125.935 119.300 -0.024 0.000 2.322 758 C HA 0.280 4.730 4.460 -0.016 0.000 0.324 758 C C 0.191 175.169 174.990 -0.020 0.000 1.249 758 C CA -1.120 57.883 59.018 -0.024 0.000 1.453 758 C CB 0.428 28.142 27.740 -0.042 0.000 2.145 758 C HN 0.504 8.718 8.230 -0.027 0.000 0.466 759 A N 6.315 129.129 122.820 -0.011 0.000 2.475 759 A HA -0.000 4.312 4.320 -0.013 0.000 0.239 759 A C 0.337 177.916 177.584 -0.009 0.000 1.087 759 A CA -0.121 51.910 52.037 -0.009 0.000 0.779 759 A CB 0.677 19.676 19.000 -0.003 0.000 1.036 759 A HN 0.149 8.296 8.150 -0.005 0.000 0.506 760 D N -0.331 120.063 120.400 -0.009 0.000 2.103 760 D HA -0.381 4.250 4.640 -0.015 0.000 0.190 760 D C 1.784 178.080 176.300 -0.007 0.000 0.997 760 D CA 3.872 57.865 54.000 -0.010 0.000 0.833 760 D CB -0.359 40.436 40.800 -0.010 0.000 0.961 760 D HN 0.348 8.713 8.370 -0.009 0.000 0.447 761 D N -2.224 118.178 120.400 0.003 0.000 2.178 761 D HA -0.237 4.405 4.640 0.003 0.000 0.202 761 D C 1.810 178.115 176.300 0.008 0.000 0.974 761 D CA 2.651 56.657 54.000 0.009 0.000 0.841 761 D CB -0.169 40.644 40.800 0.022 0.000 0.953 761 D HN 0.132 8.505 8.370 0.005 0.000 0.478 762 L N 0.418 121.646 121.223 0.009 0.000 2.083 762 L HA -0.367 3.974 4.340 0.002 0.000 0.209 762 L C 1.562 178.397 176.870 -0.059 0.000 1.083 762 L CA 2.322 57.153 54.840 -0.014 0.000 0.752 762 L CB -0.390 41.666 42.059 -0.005 0.000 0.899 762 L HN -0.623 7.589 8.230 0.012 0.025 0.433 763 Q N -4.376 115.398 119.800 -0.044 0.000 2.133 763 Q HA -0.351 3.953 4.340 -0.059 0.000 0.208 763 Q C 1.630 177.596 176.000 -0.057 0.000 0.991 763 Q CA 3.080 58.853 55.803 -0.051 0.000 0.867 763 Q CB -0.228 28.489 28.738 -0.035 0.000 0.911 763 Q HN -0.424 7.827 8.270 -0.031 0.000 0.417 764 T N -7.405 107.124 114.554 -0.042 0.000 2.985 764 T HA -0.113 4.213 4.350 -0.040 0.000 0.266 764 T C 0.827 175.496 174.700 -0.052 0.000 1.076 764 T CA 1.495 63.572 62.100 -0.038 0.000 1.135 764 T CB 0.263 69.119 68.868 -0.021 0.000 0.890 764 T HN -0.457 7.640 8.240 -0.032 0.124 0.480 765 N N -1.120 117.543 118.700 -0.062 0.000 2.356 765 N HA 0.186 4.896 4.740 -0.051 0.000 0.178 765 N C -1.471 173.918 175.510 -0.203 0.000 1.075 765 N CA 0.842 53.847 53.050 -0.075 0.000 0.889 765 N CB 1.816 40.317 38.487 0.024 0.000 0.999 765 N HN -0.571 7.631 8.380 -0.059 0.142 0.464 766 L N -0.231 120.847 121.223 -0.242 0.000 2.438 766 L HA 0.431 4.715 4.340 -0.336 -0.145 0.270 766 L C -2.951 173.810 176.870 -0.182 0.000 0.972 766 L CA -0.471 54.181 54.840 -0.314 0.000 0.831 766 L CB 3.577 45.336 42.059 -0.499 0.000 1.273 766 L HN -0.403 7.717 8.230 -0.184 0.000 0.405 767 N N 4.599 123.212 118.700 -0.144 0.000 2.417 767 N HA 0.258 4.945 4.740 -0.087 0.000 0.274 767 N C -2.241 173.225 175.510 -0.073 0.000 0.987 767 N CA -1.120 51.874 53.050 -0.094 0.000 0.912 767 N CB 2.359 40.799 38.487 -0.078 0.000 1.177 767 N HN 0.389 8.674 8.380 -0.158 0.000 0.490 768 L N 4.081 125.267 121.223 -0.062 0.000 2.341 768 L HA 0.729 5.226 4.340 -0.043 -0.183 0.278 768 L C -0.478 176.364 176.870 -0.047 0.000 1.005 768 L CA -1.246 53.565 54.840 -0.048 0.000 0.818 768 L CB 2.243 44.276 42.059 -0.042 0.000 1.259 768 L HN 0.470 8.663 8.230 -0.063 0.000 0.418 769 Q N 3.136 122.906 119.800 -0.050 0.000 2.337 769 Q HA 0.433 4.747 4.340 -0.044 0.000 0.270 769 Q C -1.811 174.153 176.000 -0.059 0.000 1.043 769 Q CA -0.994 54.779 55.803 -0.050 0.000 0.794 769 Q CB 3.658 32.367 28.738 -0.048 0.000 1.281 769 Q HN 0.422 8.660 8.270 -0.053 0.000 0.446 770 T N 1.440 115.964 114.554 -0.050 0.000 2.792 770 T HA 0.450 4.870 4.350 -0.072 -0.113 0.303 770 T C -1.452 173.225 174.700 -0.038 0.000 1.310 770 T CA -1.888 60.180 62.100 -0.054 0.000 1.007 770 T CB 1.454 70.295 68.868 -0.045 0.000 1.335 770 T HN 0.127 8.342 8.240 -0.042 0.000 0.504 771 K N 2.546 122.926 120.400 -0.033 0.000 2.208 771 K HA 0.558 4.867 4.320 -0.017 0.000 0.247 771 K C -2.285 174.314 176.600 -0.002 0.000 0.953 771 K CA -2.844 53.432 56.287 -0.018 0.000 0.837 771 K CB 0.424 32.912 32.500 -0.020 0.000 1.131 771 K HN 0.269 8.494 8.250 -0.041 0.000 0.431 772 P HA -0.027 4.402 4.420 0.014 0.000 0.265 772 P C -0.952 176.367 177.300 0.033 0.000 1.187 772 P CA -0.046 63.064 63.100 0.016 0.000 0.766 772 P CB 0.298 32.006 31.700 0.014 0.000 0.820 773 V N 2.576 122.521 119.914 0.052 0.000 2.617 773 V HA 0.102 4.266 4.120 0.074 0.000 0.298 773 V C 0.170 176.311 176.094 0.079 0.000 1.048 773 V CA -0.667 61.682 62.300 0.081 0.000 0.964 773 V CB 1.300 33.197 31.823 0.124 0.000 1.004 773 V HN 0.123 8.341 8.190 0.048 0.000 0.466 774 D N 6.409 126.849 120.400 0.067 0.000 2.487 774 D HA 0.037 4.710 4.640 0.055 0.000 0.243 774 D C -1.057 175.297 176.300 0.090 0.000 1.154 774 D CA -1.520 52.515 54.000 0.059 0.000 0.876 774 D CB 0.790 41.612 40.800 0.036 0.000 1.161 774 D HN -0.045 8.361 8.370 0.060 0.000 0.478 775 P HA 0.115 4.869 4.420 0.230 -0.196 0.237 775 P C -0.883 176.519 177.300 0.169 0.000 1.178 775 P CA 0.583 63.781 63.100 0.163 0.000 0.766 775 P CB 1.238 33.010 31.700 0.120 0.000 0.876 776 T N 3.098 117.707 114.554 0.092 0.000 2.758 776 T HA 0.582 5.200 4.350 0.115 -0.199 0.285 776 T C -0.856 173.839 174.700 -0.008 0.000 0.981 776 T CA -0.070 62.072 62.100 0.069 0.000 0.965 776 T CB 1.861 70.759 68.868 0.049 0.000 0.927 776 T HN -0.237 8.310 8.240 0.069 -0.266 0.448 777 V N 9.335 129.217 119.914 -0.053 0.000 2.376 777 V HA 0.172 4.183 4.120 -0.180 0.000 0.287 777 V C -1.252 174.697 176.094 -0.241 0.000 1.015 777 V CA -2.321 59.853 62.300 -0.209 0.000 0.834 777 V CB 1.405 32.973 31.823 -0.425 0.000 1.001 777 V HN 0.414 8.616 8.190 0.019 0.000 0.428 778 D N 7.687 127.979 120.400 -0.179 0.000 2.400 778 D HA -0.123 4.441 4.640 -0.126 0.000 0.238 778 D C 0.415 176.568 176.300 -0.244 0.000 1.157 778 D CA 1.006 54.910 54.000 -0.160 0.000 0.889 778 D CB 0.734 41.474 40.800 -0.101 0.000 1.199 778 D HN 0.246 8.529 8.370 -0.145 0.000 0.436 779 G N -1.727 106.961 108.800 -0.187 0.000 2.414 779 G HA2 -0.338 3.631 3.960 -0.288 0.000 0.236 779 G HA3 -0.338 3.595 3.960 -0.116 -0.041 0.236 779 G C 0.347 175.157 174.900 -0.151 0.000 1.293 779 G CA 0.525 45.512 45.100 -0.189 0.000 0.869 779 G HN 0.231 8.443 8.290 -0.130 0.000 0.556 780 G N 3.924 112.631 108.800 -0.155 0.000 2.189 780 G HA2 -0.505 3.466 3.960 -0.091 0.000 0.267 780 G HA3 -0.505 3.406 3.960 -0.080 0.000 0.267 780 G C -0.848 173.988 174.900 -0.106 0.000 0.975 780 G CA -0.140 44.897 45.100 -0.105 0.000 0.644 780 G HN -0.066 8.113 8.290 -0.184 0.000 0.537 781 A N 0.070 122.803 122.820 -0.145 0.000 2.256 781 A HA 0.288 4.559 4.320 -0.083 0.000 0.318 781 A C -1.994 175.524 177.584 -0.111 0.000 1.103 781 A CA -1.275 50.693 52.037 -0.114 0.000 0.860 781 A CB 2.002 20.933 19.000 -0.116 0.000 1.182 781 A HN -0.466 7.493 8.150 -0.192 0.076 0.501 782 Q N 0.267 120.034 119.800 -0.056 0.000 2.337 782 Q HA 0.788 5.355 4.340 -0.006 -0.231 0.266 782 Q C -1.050 174.967 176.000 0.028 0.000 1.023 782 Q CA -1.527 54.278 55.803 0.003 0.000 0.829 782 Q CB 3.124 31.890 28.738 0.048 0.000 1.306 782 Q HN 0.125 8.368 8.270 -0.045 0.000 0.449 783 V N 4.769 124.715 119.914 0.054 0.000 2.715 783 V HA 0.450 4.620 4.120 0.085 0.000 0.310 783 V C -2.765 173.450 176.094 0.202 0.000 1.054 783 V CA -2.305 60.053 62.300 0.096 0.000 0.928 783 V CB 3.668 35.500 31.823 0.016 0.000 1.007 783 V HN 0.553 8.770 8.190 0.046 0.000 0.437 784 Q N 6.417 126.311 119.800 0.155 0.000 2.274 784 Q HA 0.733 5.212 4.340 -0.097 -0.198 0.260 784 Q C -1.397 174.639 176.000 0.060 0.000 0.974 784 Q CA -1.658 54.168 55.803 0.038 0.000 0.876 784 Q CB 2.611 31.395 28.738 0.078 0.000 1.297 784 Q HN 0.115 8.466 8.270 0.136 0.000 0.446 785 Q N 6.119 125.903 119.800 -0.027 0.000 2.353 785 Q HA 0.344 4.695 4.340 0.017 0.000 0.268 785 Q C -2.171 173.715 176.000 -0.190 0.000 1.045 785 Q CA -1.422 54.376 55.803 -0.009 0.000 0.811 785 Q CB 3.983 32.825 28.738 0.174 0.000 1.305 785 Q HN 0.575 8.744 8.270 -0.168 0.000 0.447 786 V N 6.273 126.055 119.914 -0.221 0.000 2.459 786 V HA 0.404 4.329 4.120 -0.581 -0.153 0.295 786 V C -1.336 174.594 176.094 -0.274 0.000 1.029 786 V CA -1.332 60.718 62.300 -0.416 0.000 0.874 786 V CB 2.014 33.542 31.823 -0.492 0.000 0.985 786 V HN 0.413 8.515 8.190 -0.146 0.000 0.438 787 V N 6.834 126.573 119.914 -0.291 0.000 2.378 787 V HA 0.308 4.489 4.120 -0.142 -0.146 0.288 787 V C -1.221 174.760 176.094 -0.188 0.000 1.016 787 V CA -1.687 60.505 62.300 -0.179 0.000 0.840 787 V CB 1.552 33.304 31.823 -0.119 0.000 0.994 787 V HN 0.796 8.761 8.190 -0.375 0.000 0.431 788 N N 7.948 126.563 118.700 -0.140 0.000 2.444 788 N HA 0.325 5.111 4.740 -0.136 -0.128 0.271 788 N C -1.142 174.333 175.510 -0.059 0.000 1.069 788 N CA -0.139 52.844 53.050 -0.111 0.000 0.965 788 N CB 1.500 39.931 38.487 -0.093 0.000 1.092 788 N HN 0.428 8.733 8.380 -0.125 0.000 0.476 789 I N 2.936 123.493 120.570 -0.021 0.000 2.433 789 I HA 0.435 4.756 4.170 0.026 -0.136 0.292 789 I C -1.555 174.607 176.117 0.076 0.000 1.001 789 I CA -0.970 60.365 61.300 0.058 0.000 1.119 789 I CB 3.205 41.317 38.000 0.186 0.000 1.289 789 I HN 0.538 8.726 8.210 -0.036 0.000 0.438 790 E N 7.100 127.302 120.200 0.003 0.000 2.246 790 E HA 0.569 5.050 4.350 -0.023 -0.145 0.266 790 E C -2.190 174.293 176.600 -0.194 0.000 0.880 790 E CA -2.137 54.227 56.400 -0.059 0.000 0.762 790 E CB 3.950 33.614 29.700 -0.061 0.000 1.180 790 E HN 0.552 8.897 8.360 -0.024 0.000 0.416 791 C N 8.945 128.012 119.300 -0.388 0.000 2.373 791 C HA 0.418 4.592 4.460 -0.476 0.000 0.354 791 C C 0.454 175.273 174.990 -0.285 0.000 1.249 791 C CA -0.892 57.802 59.018 -0.539 0.000 1.784 791 C CB -0.696 26.322 27.740 -1.204 0.000 2.408 791 C HN 0.848 8.845 8.230 -0.388 0.000 0.542 792 I N 8.529 128.982 120.570 -0.195 0.000 2.494 792 I HA -0.065 4.043 4.170 -0.103 0.000 0.250 792 I C -0.745 175.329 176.117 -0.071 0.000 1.112 792 I CA 0.082 61.315 61.300 -0.111 0.000 1.438 792 I CB 0.036 37.982 38.000 -0.090 0.000 1.111 792 I HN 0.428 8.410 8.210 -0.217 0.098 0.431 793 S N -5.061 110.614 115.700 -0.042 0.000 2.643 793 S HA 0.140 4.604 4.470 -0.011 0.000 0.270 793 S C -2.267 172.389 174.600 0.093 0.000 1.166 793 S CA -1.313 56.890 58.200 0.005 0.000 0.815 793 S CB 1.481 64.686 63.200 0.007 0.000 1.139 793 S HN -0.757 7.524 8.310 -0.048 0.000 0.472 794 D N 0.162 120.603 120.400 0.068 0.000 2.368 794 D HA -0.124 4.573 4.640 0.094 0.000 0.240 794 D C -1.290 175.107 176.300 0.162 0.000 1.169 794 D CA 0.409 54.450 54.000 0.068 0.000 0.906 794 D CB 0.312 41.083 40.800 -0.048 0.000 1.187 794 D HN -0.060 8.326 8.370 0.027 0.000 0.435 795 F N -6.708 113.230 119.950 -0.020 0.000 2.678 795 F HA 0.371 4.893 4.527 -0.007 0.000 0.308 795 F C -1.607 174.205 175.800 0.019 0.000 1.118 795 F CA -1.037 56.962 58.000 -0.001 0.000 0.959 795 F CB 1.365 40.367 39.000 0.004 0.000 1.305 795 F HN -0.360 7.728 8.300 -0.353 0.000 0.443 796 T N -0.679 113.913 114.554 0.063 0.000 3.056 796 T HA 0.105 4.394 4.350 -0.102 0.000 0.243 796 T C 0.028 174.800 174.700 0.120 0.000 0.995 796 T CA 0.486 62.589 62.100 0.005 0.000 1.091 796 T CB 0.954 69.824 68.868 0.004 0.000 0.990 796 T HN 0.493 8.840 8.240 0.178 0.000 0.464 797 E N 1.816 122.130 120.200 0.190 0.000 2.391 797 E HA 0.010 4.405 4.350 0.076 0.000 0.255 797 E C -0.954 175.793 176.600 0.245 0.000 1.187 797 E CA -0.110 56.377 56.400 0.145 0.000 0.941 797 E CB 0.776 30.534 29.700 0.096 0.000 1.010 797 E HN -0.167 8.316 8.360 0.205 0.000 0.458 798 A N 0.641 123.552 122.820 0.152 0.000 2.355 798 A HA 0.369 4.870 4.320 0.302 0.000 0.324 798 A C -2.441 175.215 177.584 0.120 0.000 1.117 798 A CA -2.628 49.536 52.037 0.211 0.000 0.785 798 A CB 0.568 19.720 19.000 0.253 0.000 1.254 798 A HN 0.139 8.332 8.150 0.072 0.000 0.453 799 P HA 0.056 4.609 4.420 0.029 -0.116 0.270 799 P C -1.528 175.807 177.300 0.057 0.000 1.223 799 P CA -0.789 62.344 63.100 0.055 0.000 0.785 799 P CB 0.483 32.209 31.700 0.042 0.000 0.923 800 V N 0.072 120.000 119.914 0.023 0.000 2.435 800 V HA 0.210 4.466 4.120 0.024 -0.122 0.290 800 V C -1.214 174.881 176.094 0.001 0.000 1.030 800 V CA -1.141 61.165 62.300 0.011 0.000 0.881 800 V CB 1.920 33.737 31.823 -0.010 0.000 0.983 800 V HN 0.532 8.728 8.190 0.011 0.000 0.445 801 L N 7.866 129.089 121.223 0.001 0.000 2.257 801 L HA 0.442 4.936 4.340 -0.002 -0.155 0.290 801 L C -2.361 174.483 176.870 -0.044 0.000 1.044 801 L CA -1.423 53.414 54.840 -0.006 0.000 0.810 801 L CB 1.414 43.486 42.059 0.021 0.000 1.193 801 L HN 0.682 8.916 8.230 0.008 0.000 0.425 802 N N 7.463 126.128 118.700 -0.058 0.000 2.421 802 N HA 0.568 5.414 4.740 -0.100 -0.167 0.285 802 N C -1.896 173.538 175.510 -0.128 0.000 1.027 802 N CA -0.908 52.087 53.050 -0.091 0.000 0.918 802 N CB 3.145 41.583 38.487 -0.082 0.000 1.152 802 N HN 0.442 8.793 8.380 -0.048 0.000 0.485 803 I N 4.891 125.366 120.570 -0.158 0.000 2.436 803 I HA 0.380 4.512 4.170 -0.330 -0.160 0.289 803 I C -1.703 174.308 176.117 -0.178 0.000 1.010 803 I CA -0.963 60.190 61.300 -0.246 0.000 1.098 803 I CB 2.534 40.382 38.000 -0.253 0.000 1.266 803 I HN 0.869 8.993 8.210 -0.143 0.000 0.434 804 Q N 5.833 125.502 119.800 -0.217 0.000 2.353 804 Q HA 1.041 5.497 4.340 -0.143 -0.202 0.268 804 Q C -0.917 175.050 176.000 -0.056 0.000 1.045 804 Q CA -1.769 53.956 55.803 -0.131 0.000 0.811 804 Q CB 3.492 32.173 28.738 -0.095 0.000 1.305 804 Q HN 0.002 8.090 8.270 -0.304 0.000 0.447 805 F N 0.572 120.410 119.950 -0.187 0.000 2.741 805 F HA 0.595 5.300 4.527 -0.070 -0.220 0.313 805 F C -1.499 174.280 175.800 -0.036 0.000 1.153 805 F CA -1.083 56.852 58.000 -0.107 0.000 0.931 805 F CB 1.473 40.421 39.000 -0.087 0.000 1.335 805 F HN 0.497 8.595 8.300 -0.336 0.000 0.460 806 R N 1.063 121.654 120.500 0.152 0.000 2.346 806 R HA 0.745 5.003 4.340 -0.137 0.000 0.311 806 R C -1.459 174.996 176.300 0.258 0.000 0.983 806 R CA -1.374 54.741 56.100 0.026 0.000 0.880 806 R CB 1.013 31.294 30.300 -0.033 0.000 1.100 806 R HN 0.303 nan 8.270 nan 0.000 0.453 807 Y N 3.097 123.404 120.300 0.012 0.000 2.329 807 Y HA 0.230 4.945 4.550 0.276 0.000 0.328 807 Y C -0.341 175.595 175.900 0.060 0.000 0.992 807 Y CA -0.317 57.877 58.100 0.156 0.000 1.151 807 Y CB 2.865 41.451 38.460 0.210 0.000 1.150 807 Y HN -0.125 8.188 8.280 0.055 0.000 0.450 808 G N 7.254 115.820 108.800 -0.392 0.000 2.258 808 G HA2 -0.469 3.308 3.960 -0.306 0.000 0.274 808 G HA3 -0.469 3.223 3.960 -0.446 0.000 0.274 808 G C -0.145 174.648 174.900 -0.178 0.000 1.021 808 G CA 0.527 45.419 45.100 -0.347 0.000 0.798 808 G HN 0.736 8.833 8.290 -0.322 0.000 0.507 809 G N -3.234 105.479 108.800 -0.145 0.000 2.179 809 G HA2 -0.461 3.388 3.960 -0.186 0.000 0.260 809 G HA3 -0.461 3.413 3.960 -0.144 0.000 0.260 809 G C -0.053 174.707 174.900 -0.233 0.000 0.977 809 G CA -0.052 44.944 45.100 -0.173 0.000 0.641 809 G HN 0.307 8.503 8.290 -0.121 0.021 0.533 810 T N -1.458 112.989 114.554 -0.178 0.000 2.929 810 T HA 0.273 4.515 4.350 -0.181 0.000 0.284 810 T C -0.531 174.024 174.700 -0.242 0.000 1.014 810 T CA -1.976 60.028 62.100 -0.160 0.000 1.051 810 T CB 2.170 71.025 68.868 -0.022 0.000 1.028 810 T HN -0.507 7.459 8.240 -0.130 0.196 0.485 811 F N 2.155 122.045 119.950 -0.100 0.000 2.424 811 F HA 0.177 4.594 4.527 -0.183 0.000 0.356 811 F C 0.270 175.915 175.800 -0.258 0.000 1.110 811 F CA 0.580 58.481 58.000 -0.166 0.000 1.161 811 F CB 0.175 39.101 39.000 -0.123 0.000 1.115 811 F HN 0.340 8.662 8.300 0.036 0.000 0.507 812 Q N 4.456 124.069 119.800 -0.312 0.000 2.322 812 Q HA 0.257 4.382 4.340 -0.358 0.000 0.265 812 Q C -1.671 174.040 176.000 -0.482 0.000 0.985 812 Q CA -1.741 53.700 55.803 -0.603 0.000 0.849 812 Q CB 2.768 30.642 28.738 -1.440 0.000 1.274 812 Q HN 0.308 8.357 8.270 -0.369 0.000 0.449 813 N N 2.784 121.329 118.700 -0.259 0.000 2.430 813 N HA 0.665 5.495 4.740 -0.168 -0.190 0.290 813 N C -1.239 174.206 175.510 -0.108 0.000 1.063 813 N CA -0.190 52.764 53.050 -0.159 0.000 0.883 813 N CB 2.496 40.912 38.487 -0.118 0.000 1.465 813 N HN 0.224 8.475 8.380 -0.214 0.000 0.493 814 V N 6.490 126.338 119.914 -0.111 0.000 2.656 814 V HA 0.270 4.306 4.120 -0.140 0.000 0.307 814 V C -1.914 174.066 176.094 -0.189 0.000 1.051 814 V CA -1.593 60.606 62.300 -0.168 0.000 0.893 814 V CB 3.773 35.439 31.823 -0.262 0.000 0.999 814 V HN 0.567 8.689 8.190 -0.113 0.000 0.426 815 S N 6.976 122.567 115.700 -0.182 0.000 2.561 815 S HA 0.822 5.412 4.470 -0.133 -0.200 0.303 815 S C -1.844 172.672 174.600 -0.139 0.000 1.110 815 S CA -0.592 57.527 58.200 -0.135 0.000 1.034 815 S CB 2.402 65.553 63.200 -0.080 0.000 1.010 815 S HN 0.302 8.511 8.310 -0.169 0.000 0.482 816 V N 4.268 124.115 119.914 -0.111 0.000 2.888 816 V HA 0.470 4.732 4.120 -0.007 -0.147 0.309 816 V C -2.202 173.908 176.094 0.026 0.000 1.114 816 V CA -2.338 59.935 62.300 -0.044 0.000 0.940 816 V CB 4.285 36.055 31.823 -0.088 0.000 1.021 816 V HN 0.497 8.628 8.190 -0.099 0.000 0.426 817 K N 6.719 127.172 120.400 0.089 0.000 2.350 817 K HA -0.008 4.506 4.320 0.098 -0.135 0.279 817 K C -0.960 175.798 176.600 0.263 0.000 1.027 817 K CA 0.493 56.869 56.287 0.150 0.000 0.969 817 K CB 0.501 33.051 32.500 0.084 0.000 0.954 817 K HN 0.219 8.526 8.250 0.095 0.000 0.474 818 L N 3.455 124.815 121.223 0.227 0.000 2.276 818 L HA 0.316 4.702 4.340 0.076 0.000 0.286 818 L C -1.566 175.440 176.870 0.226 0.000 1.061 818 L CA -3.664 51.269 54.840 0.155 0.000 0.807 818 L CB 2.082 44.194 42.059 0.087 0.000 1.177 818 L HN 0.261 8.607 8.230 0.194 0.000 0.429 819 P HA 0.132 4.256 4.420 -0.492 0.000 0.225 819 P C -1.670 175.613 177.300 -0.029 0.000 1.813 819 P CA -0.588 62.331 63.100 -0.303 0.000 1.013 819 P CB -1.919 29.457 31.700 -0.539 0.000 1.961 820 I N 4.121 124.788 120.570 0.161 0.000 2.307 820 I HA 0.098 4.365 4.170 0.161 0.000 0.289 820 I C -1.114 175.238 176.117 0.391 0.000 1.021 820 I CA -0.456 60.991 61.300 0.245 0.000 1.224 820 I CB -0.061 38.109 38.000 0.284 0.000 1.376 820 I HN -0.215 8.046 8.210 0.225 0.084 0.470 821 T N 1.209 115.879 114.554 0.193 0.000 2.916 821 T HA 0.379 4.858 4.350 0.216 0.000 0.292 821 T C 0.539 175.187 174.700 -0.086 0.000 1.055 821 T CA -2.653 59.508 62.100 0.102 0.000 1.009 821 T CB 3.300 72.173 68.868 0.008 0.000 1.118 821 T HN -0.281 7.956 8.240 -0.005 0.000 0.497 822 L N 1.746 122.729 121.223 -0.400 0.000 2.131 822 L HA -0.291 3.895 4.340 -0.256 0.000 0.210 822 L C 0.902 177.582 176.870 -0.316 0.000 1.092 822 L CA 2.898 57.497 54.840 -0.402 0.000 0.759 822 L CB -0.079 41.642 42.059 -0.563 0.000 0.903 822 L HN 0.720 8.677 8.230 -0.455 0.000 0.435 823 N N -3.943 114.463 118.700 -0.489 0.000 2.453 823 N HA -0.280 3.982 4.740 -0.796 0.000 0.183 823 N C 1.922 177.096 175.510 -0.560 0.000 1.041 823 N CA 2.636 55.274 53.050 -0.686 0.000 0.900 823 N CB -1.377 36.367 38.487 -1.237 0.000 0.961 823 N HN 0.207 8.300 8.380 -0.438 0.024 0.443 824 K N -0.523 119.435 120.400 -0.737 0.000 2.360 824 K HA -0.147 3.623 4.320 -0.917 0.000 0.201 824 K C 0.820 176.775 176.600 -1.075 0.000 1.046 824 K CA 1.396 56.965 56.287 -1.196 0.000 0.945 824 K CB -0.877 30.315 32.500 -2.180 0.000 0.750 824 K HN -0.477 7.325 8.250 -0.671 0.045 0.464 825 F N -2.960 116.834 119.950 -0.260 0.000 2.645 825 F HA 0.055 4.610 4.527 0.047 0.000 0.300 825 F C -0.573 175.206 175.800 -0.034 0.000 1.115 825 F CA -0.341 57.624 58.000 -0.058 0.000 1.355 825 F CB -0.205 38.794 39.000 -0.002 0.000 1.026 825 F HN -0.796 7.164 8.300 -0.464 0.062 0.536 826 F N 0.059 119.981 119.950 -0.047 0.000 2.443 826 F HA -0.022 4.641 4.527 -0.065 -0.174 0.353 826 F C -0.058 175.767 175.800 0.041 0.000 1.101 826 F CA 0.491 58.463 58.000 -0.047 0.000 1.226 826 F CB 1.434 40.368 39.000 -0.110 0.000 1.140 826 F HN -0.848 7.371 8.300 0.005 0.084 0.557 827 Q N 6.553 126.551 119.800 0.330 0.000 2.347 827 Q HA 0.465 4.949 4.340 0.241 0.000 0.262 827 Q C -2.146 173.949 176.000 0.159 0.000 0.980 827 Q CA -3.577 52.378 55.803 0.253 0.000 0.867 827 Q CB 2.434 31.366 28.738 0.322 0.000 1.242 827 Q HN 0.680 9.115 8.270 0.275 0.000 0.453 828 P HA 0.068 4.475 4.420 -0.099 -0.047 0.271 828 P C -0.891 176.430 177.300 0.035 0.000 1.216 828 P CA -0.378 62.713 63.100 -0.015 0.000 0.776 828 P CB 0.372 32.057 31.700 -0.025 0.000 0.881 829 T N 0.911 115.481 114.554 0.026 0.000 2.934 829 T HA 0.151 4.537 4.350 0.059 0.000 0.328 829 T C -0.592 174.136 174.700 0.047 0.000 1.068 829 T CA -1.948 60.184 62.100 0.054 0.000 1.018 829 T CB 1.420 70.332 68.868 0.074 0.000 1.009 829 T HN -0.095 8.143 8.240 -0.002 0.000 0.471 830 E N 7.701 127.924 120.200 0.039 0.000 2.373 830 E HA -0.009 4.356 4.350 0.025 0.000 0.267 830 E C -0.793 175.835 176.600 0.047 0.000 1.032 830 E CA 0.653 57.073 56.400 0.033 0.000 0.889 830 E CB 0.650 30.365 29.700 0.025 0.000 0.984 830 E HN 0.300 8.684 8.360 0.039 0.000 0.425 831 M N -1.377 118.252 119.600 0.049 0.000 2.732 831 M HA 0.238 4.750 4.480 0.053 0.000 0.272 831 M C -1.890 174.440 176.300 0.050 0.000 1.203 831 M CA -0.997 54.339 55.300 0.061 0.000 0.841 831 M CB 3.069 35.723 32.600 0.090 0.000 1.685 831 M HN -0.259 8.053 8.290 0.037 0.000 0.492 832 A N -0.455 122.399 122.820 0.056 0.000 2.332 832 A HA 0.237 4.576 4.320 0.032 0.000 0.258 832 A C 0.576 178.206 177.584 0.077 0.000 1.087 832 A CA -0.706 51.362 52.037 0.052 0.000 0.802 832 A CB 1.560 20.594 19.000 0.056 0.000 1.042 832 A HN 0.349 8.535 8.150 0.060 0.000 0.489 833 S N 0.567 116.308 115.700 0.068 0.000 2.383 833 S HA -0.435 4.042 4.470 0.011 0.000 0.229 833 S C 1.950 176.698 174.600 0.248 0.000 1.030 833 S CA 3.287 61.553 58.200 0.109 0.000 1.002 833 S CB -0.539 62.740 63.200 0.131 0.000 0.829 833 S HN 0.633 8.975 8.310 0.053 0.000 0.467 834 Q N -0.233 119.693 119.800 0.210 0.000 2.084 834 Q HA -0.240 4.281 4.340 0.301 0.000 0.202 834 Q C 1.777 177.895 176.000 0.197 0.000 0.978 834 Q CA 3.782 59.719 55.803 0.223 0.000 0.844 834 Q CB -0.588 28.232 28.738 0.137 0.000 0.898 834 Q HN 0.497 8.849 8.270 0.155 0.012 0.426 835 D N -0.639 119.848 120.400 0.144 0.000 2.144 835 D HA -0.265 4.434 4.640 0.099 0.000 0.200 835 D C 1.602 177.963 176.300 0.102 0.000 0.978 835 D CA 2.748 56.814 54.000 0.111 0.000 0.833 835 D CB -0.635 40.217 40.800 0.087 0.000 0.961 835 D HN -0.661 7.788 8.370 0.131 0.000 0.470 836 F N -0.272 119.648 119.950 -0.051 0.000 2.069 836 F HA -0.382 4.097 4.527 -0.081 0.000 0.298 836 F C 0.963 176.678 175.800 -0.142 0.000 1.113 836 F CA 3.395 61.297 58.000 -0.164 0.000 1.214 836 F CB 0.617 39.383 39.000 -0.389 0.000 0.978 836 F HN -0.514 7.911 8.300 0.207 0.000 0.474 837 F N -2.940 117.153 119.950 0.239 0.000 2.234 837 F HA -0.480 4.150 4.527 0.172 0.000 0.299 837 F C 2.153 178.020 175.800 0.112 0.000 1.087 837 F CA 4.024 62.124 58.000 0.167 0.000 1.340 837 F CB -0.174 38.916 39.000 0.149 0.000 1.031 837 F HN -0.268 8.153 8.300 0.202 0.000 0.500 838 Q N -0.152 119.782 119.800 0.224 0.000 2.084 838 Q HA -0.358 4.074 4.340 0.154 0.000 0.202 838 Q C 2.162 178.208 176.000 0.076 0.000 0.978 838 Q CA 2.583 58.468 55.803 0.138 0.000 0.844 838 Q CB -0.484 28.314 28.738 0.101 0.000 0.898 838 Q HN -0.363 8.042 8.270 0.224 0.000 0.426 839 R N 0.189 120.692 120.500 0.004 0.000 2.090 839 R HA -0.121 4.203 4.340 -0.027 0.000 0.228 839 R C 2.460 178.725 176.300 -0.059 0.000 1.110 839 R CA 1.019 57.087 56.100 -0.053 0.000 0.973 839 R CB -0.106 30.126 30.300 -0.113 0.000 0.869 839 R HN -0.103 nan 8.270 nan 0.000 0.440 840 W N 1.276 122.380 121.300 -0.328 0.000 2.321 840 W HA -0.364 4.121 4.660 -0.291 0.000 0.306 840 W C 0.287 176.766 176.519 -0.067 0.000 1.217 840 W CA 2.617 59.813 57.345 -0.249 0.000 1.257 840 W CB 0.399 29.719 29.460 -0.234 0.000 1.145 840 W HN 0.025 8.158 8.180 -0.079 0.000 0.509 841 K N -6.571 113.927 120.400 0.163 0.000 2.458 841 K HA -0.050 4.308 4.320 0.064 0.000 0.194 841 K C 0.717 177.324 176.600 0.013 0.000 1.024 841 K CA 0.685 57.031 56.287 0.099 0.000 1.108 841 K CB -0.412 32.198 32.500 0.184 0.000 0.846 841 K HN -0.824 7.535 8.250 0.222 0.025 0.518 842 Q N -2.521 117.264 119.800 -0.025 0.000 2.360 842 Q HA -0.050 4.278 4.340 -0.019 0.000 0.202 842 Q C 0.375 176.330 176.000 -0.075 0.000 0.915 842 Q CA -0.299 55.482 55.803 -0.037 0.000 0.943 842 Q CB 0.767 29.488 28.738 -0.029 0.000 1.064 842 Q HN -0.723 7.344 8.270 -0.029 0.186 0.511 843 L N 0.753 121.896 121.223 -0.133 0.000 2.540 843 L HA -0.232 4.023 4.340 -0.142 0.000 0.276 843 L C -0.023 176.786 176.870 -0.101 0.000 1.212 843 L CA 1.033 55.780 54.840 -0.155 0.000 0.893 843 L CB 0.449 42.353 42.059 -0.258 0.000 1.138 843 L HN -0.821 7.254 8.230 -0.160 0.059 0.491 844 S N 6.084 121.738 115.700 -0.078 0.000 2.931 844 S HA 0.072 4.512 4.470 -0.050 0.000 0.251 844 S C 0.663 175.234 174.600 -0.048 0.000 1.078 844 S CA -0.304 57.864 58.200 -0.053 0.000 0.835 844 S CB 0.711 63.889 63.200 -0.037 0.000 0.798 844 S HN 0.357 8.620 8.310 -0.080 0.000 0.495 845 N N 4.967 123.638 118.700 -0.049 0.000 2.427 845 N HA 0.254 4.973 4.740 -0.034 0.000 0.269 845 N C -0.629 174.851 175.510 -0.050 0.000 1.235 845 N CA -2.677 50.347 53.050 -0.043 0.000 0.934 845 N CB -0.025 38.438 38.487 -0.040 0.000 1.121 845 N HN -0.157 8.191 8.380 -0.052 0.000 0.480 846 P HA -0.213 4.176 4.420 -0.052 0.000 0.221 846 P C 0.801 178.077 177.300 -0.041 0.000 1.145 846 P CA 1.802 64.876 63.100 -0.042 0.000 0.795 846 P CB 0.153 31.837 31.700 -0.026 0.000 0.775 847 Q N -4.331 115.447 119.800 -0.035 0.000 2.451 847 Q HA -0.075 4.251 4.340 -0.024 0.000 0.206 847 Q C 1.198 177.176 176.000 -0.037 0.000 0.947 847 Q CA 0.766 56.552 55.803 -0.029 0.000 0.937 847 Q CB -0.850 27.874 28.738 -0.022 0.000 1.025 847 Q HN -0.533 7.868 8.270 -0.034 -0.152 0.511 848 Q N -2.653 117.114 119.800 -0.054 0.000 2.403 848 Q HA -0.082 4.227 4.340 -0.051 0.000 0.203 848 Q C -1.095 174.853 176.000 -0.085 0.000 0.932 848 Q CA 0.765 56.528 55.803 -0.065 0.000 0.945 848 Q CB 0.824 29.516 28.738 -0.076 0.000 1.045 848 Q HN -0.398 7.647 8.270 -0.058 0.190 0.511 849 E N 0.205 120.354 120.200 -0.084 0.000 2.145 849 E HA 0.704 5.199 4.350 -0.113 -0.212 0.270 849 E C -1.221 175.360 176.600 -0.032 0.000 0.906 849 E CA -1.578 54.768 56.400 -0.091 0.000 0.761 849 E CB 2.416 32.046 29.700 -0.117 0.000 1.116 849 E HN -0.916 7.341 8.360 -0.072 0.060 0.408 850 V N 7.840 127.752 119.914 -0.004 0.000 2.577 850 V HA 0.304 4.438 4.120 0.023 0.000 0.303 850 V C -1.869 174.264 176.094 0.064 0.000 1.042 850 V CA -1.312 61.004 62.300 0.027 0.000 0.872 850 V CB 2.815 34.654 31.823 0.026 0.000 0.998 850 V HN 0.742 8.927 8.190 -0.008 0.000 0.423 851 Q N 4.848 124.693 119.800 0.075 0.000 2.394 851 Q HA 0.902 5.524 4.340 0.131 -0.203 0.273 851 Q C -1.161 174.912 176.000 0.121 0.000 1.089 851 Q CA -1.500 54.369 55.803 0.111 0.000 0.812 851 Q CB 4.114 32.919 28.738 0.112 0.000 1.353 851 Q HN 0.285 8.592 8.270 0.061 0.000 0.438 852 N N 3.207 122.012 118.700 0.174 0.000 2.430 852 N HA 0.278 5.123 4.740 0.175 0.000 0.290 852 N C -2.203 173.513 175.510 0.343 0.000 1.063 852 N CA -0.356 52.831 53.050 0.227 0.000 0.883 852 N CB 2.884 41.483 38.487 0.186 0.000 1.465 852 N HN 0.550 9.047 8.380 0.195 0.000 0.493 853 I N 5.285 126.014 120.570 0.265 0.000 2.330 853 I HA 0.695 5.174 4.170 0.145 -0.222 0.289 853 I C -0.809 175.459 176.117 0.252 0.000 1.001 853 I CA -0.643 60.769 61.300 0.187 0.000 1.193 853 I CB 0.707 38.763 38.000 0.094 0.000 1.345 853 I HN 0.246 8.584 8.210 0.212 0.000 0.461 854 F N 4.699 124.709 119.950 0.098 0.000 2.626 854 F HA 0.521 5.092 4.527 0.072 0.000 0.311 854 F C -2.241 173.632 175.800 0.121 0.000 1.088 854 F CA -2.426 55.633 58.000 0.098 0.000 0.949 854 F CB 2.792 41.852 39.000 0.101 0.000 1.322 854 F HN 0.489 8.699 8.300 -0.150 0.000 0.461 855 K N 1.144 121.680 120.400 0.227 0.000 2.298 855 K HA 0.081 4.538 4.320 0.018 -0.126 0.280 855 K C -0.016 176.730 176.600 0.243 0.000 1.032 855 K CA -0.577 55.785 56.287 0.125 0.000 0.958 855 K CB 0.465 33.024 32.500 0.100 0.000 0.978 855 K HN 0.295 8.713 8.250 0.280 0.000 0.472 856 A N 4.161 127.071 122.820 0.151 0.000 2.511 856 A HA -0.101 4.513 4.320 0.490 0.000 0.242 856 A C -0.126 177.556 177.584 0.164 0.000 1.069 856 A CA 0.246 52.452 52.037 0.282 0.000 0.763 856 A CB 0.117 19.238 19.000 0.201 0.000 1.001 856 A HN 0.162 8.332 8.150 0.034 0.000 0.498 857 K N 2.517 122.980 120.400 0.105 0.000 2.352 857 K HA -0.031 4.234 4.320 -0.093 0.000 0.194 857 K C -0.673 175.723 176.600 -0.340 0.000 1.038 857 K CA 0.931 57.111 56.287 -0.178 0.000 1.023 857 K CB 0.600 32.887 32.500 -0.356 0.000 0.840 857 K HN 0.411 8.642 8.250 0.205 0.142 0.519 858 H N -1.837 117.335 119.070 0.170 0.000 2.946 858 H HA 0.288 4.897 4.556 0.089 0.000 0.365 858 H C -2.550 172.864 175.328 0.144 0.000 1.197 858 H CA -3.040 53.082 56.048 0.123 0.000 1.131 858 H CB 0.175 29.992 29.762 0.092 0.000 1.849 858 H HN -0.672 7.697 8.280 0.149 0.000 0.555 859 P HA 0.018 4.517 4.420 0.132 0.000 0.264 859 P C 0.077 177.499 177.300 0.204 0.000 1.183 859 P CA 0.260 63.459 63.100 0.164 0.000 0.763 859 P CB 0.571 32.339 31.700 0.114 0.000 0.807 860 M N 3.434 123.132 119.600 0.163 0.000 3.709 860 M HA -0.031 4.636 4.480 0.312 0.000 0.202 860 M C -0.549 175.844 176.300 0.155 0.000 1.360 860 M CA -0.288 55.127 55.300 0.191 0.000 1.600 860 M CB -1.107 31.528 32.600 0.057 0.000 1.061 860 M HN 0.096 8.455 8.290 0.115 0.000 0.575 861 D N 2.144 122.634 120.400 0.150 0.000 2.312 861 D HA 0.101 4.800 4.640 0.098 0.000 0.252 861 D C 0.771 177.151 176.300 0.134 0.000 1.150 861 D CA -0.012 54.056 54.000 0.114 0.000 0.870 861 D CB 2.073 42.922 40.800 0.081 0.000 1.153 861 D HN -0.608 7.786 8.370 0.165 0.075 0.457 862 T N 7.129 121.769 114.554 0.143 0.000 2.708 862 T HA -0.402 4.136 4.350 0.313 0.000 0.266 862 T C 1.304 176.097 174.700 0.155 0.000 1.037 862 T CA 4.618 66.844 62.100 0.211 0.000 1.146 862 T CB 0.096 69.072 68.868 0.180 0.000 0.865 862 T HN 0.310 8.621 8.240 0.119 0.000 0.435 863 E N 0.510 120.768 120.200 0.096 0.000 2.158 863 E HA -0.129 4.270 4.350 0.081 0.000 0.191 863 E C 2.401 179.020 176.600 0.032 0.000 0.982 863 E CA 2.357 58.796 56.400 0.065 0.000 0.823 863 E CB -0.651 29.076 29.700 0.046 0.000 0.766 863 E HN -0.454 8.050 8.360 0.086 -0.092 0.468 864 I N 0.275 120.863 120.570 0.029 0.000 2.315 864 I HA -0.418 3.741 4.170 -0.017 0.000 0.248 864 I C 1.805 177.920 176.117 -0.004 0.000 1.117 864 I CA 4.017 65.317 61.300 0.001 0.000 1.404 864 I CB -0.371 37.630 38.000 0.003 0.000 1.071 864 I HN 0.062 8.606 8.210 0.044 -0.307 0.419 865 T N 3.179 117.741 114.554 0.014 0.000 2.746 865 T HA -0.496 3.957 4.350 0.172 0.000 0.267 865 T C 1.671 176.234 174.700 -0.228 0.000 1.039 865 T CA 5.399 67.463 62.100 -0.060 0.000 1.142 865 T CB -0.381 68.326 68.868 -0.269 0.000 0.866 865 T HN -0.207 8.057 8.240 0.041 0.000 0.444 866 K N 0.872 121.164 120.400 -0.179 0.000 2.032 866 K HA -0.332 3.894 4.320 -0.156 0.000 0.209 866 K C 2.132 178.705 176.600 -0.045 0.000 1.048 866 K CA 3.463 59.699 56.287 -0.085 0.000 0.927 866 K CB -0.173 32.366 32.500 0.066 0.000 0.712 866 K HN -0.539 7.654 8.250 -0.096 0.000 0.441 867 A N -1.454 121.347 122.820 -0.030 0.000 1.933 867 A HA -0.239 4.071 4.320 -0.016 0.000 0.218 867 A C 2.208 179.770 177.584 -0.036 0.000 1.175 867 A CA 3.120 55.141 52.037 -0.027 0.000 0.628 867 A CB -0.853 18.128 19.000 -0.032 0.000 0.814 867 A HN -0.306 7.828 8.150 -0.026 0.000 0.444 868 K N -1.248 119.121 120.400 -0.053 0.000 2.057 868 K HA -0.296 3.971 4.320 -0.090 0.000 0.206 868 K C 2.532 179.136 176.600 0.007 0.000 1.050 868 K CA 3.488 59.730 56.287 -0.076 0.000 0.935 868 K CB -0.003 32.374 32.500 -0.204 0.000 0.715 868 K HN -0.386 7.832 8.250 -0.053 0.000 0.439 869 I N -0.276 120.307 120.570 0.021 0.000 2.252 869 I HA -0.464 3.758 4.170 0.087 0.000 0.245 869 I C 1.856 178.008 176.117 0.059 0.000 1.102 869 I CA 4.224 65.551 61.300 0.045 0.000 1.385 869 I CB -0.008 37.974 38.000 -0.030 0.000 1.064 869 I HN -0.367 7.836 8.210 -0.012 0.000 0.414 870 I N -0.243 120.338 120.570 0.018 0.000 2.226 870 I HA -0.429 3.739 4.170 -0.003 0.000 0.245 870 I C 2.476 178.607 176.117 0.022 0.000 1.100 870 I CA 3.749 65.055 61.300 0.009 0.000 1.374 870 I CB -0.112 37.889 38.000 0.002 0.000 1.057 870 I HN -0.265 7.946 8.210 0.003 0.000 0.413 871 G N -1.820 106.999 108.800 0.031 0.000 2.422 871 G HA2 -0.255 3.715 3.960 0.016 0.000 0.218 871 G HA3 -0.255 3.876 3.960 0.015 -0.161 0.218 871 G C 1.612 176.559 174.900 0.078 0.000 1.140 871 G CA 1.542 46.661 45.100 0.032 0.000 0.775 871 G HN -0.301 8.001 8.290 0.021 0.000 0.545 872 F N 2.416 122.341 119.950 -0.042 0.000 2.171 872 F HA -0.232 4.290 4.527 -0.008 0.000 0.300 872 F C 0.146 175.981 175.800 0.058 0.000 1.090 872 F CA 1.830 59.831 58.000 0.001 0.000 1.293 872 F CB 1.136 40.153 39.000 0.028 0.000 1.013 872 F HN -0.401 7.921 8.300 0.227 0.114 0.486 873 G N -4.564 104.243 108.800 0.013 0.000 2.485 873 G HA2 -0.218 3.712 3.960 -0.049 0.000 0.181 873 G HA3 -0.218 3.742 3.960 0.001 0.000 0.181 873 G C -1.315 173.330 174.900 -0.425 0.000 0.999 873 G CA -0.443 44.596 45.100 -0.101 0.000 0.721 873 G HN -0.549 7.781 8.290 0.067 0.000 0.486 874 S N 0.510 115.779 115.700 -0.718 0.000 2.624 874 S HA -0.036 3.826 4.470 -1.013 0.000 0.263 874 S C -0.178 174.249 174.600 -0.289 0.000 1.287 874 S CA -0.424 57.300 58.200 -0.794 0.000 0.990 874 S CB 1.484 64.248 63.200 -0.726 0.000 0.950 874 S HN -0.618 7.397 8.310 -0.492 0.000 0.561 875 A N -0.476 122.234 122.820 -0.183 0.000 2.425 875 A HA 0.102 4.384 4.320 -0.063 0.000 0.242 875 A C -1.031 176.518 177.584 -0.058 0.000 1.077 875 A CA 0.173 52.164 52.037 -0.077 0.000 0.781 875 A CB 0.826 19.807 19.000 -0.033 0.000 1.020 875 A HN -0.057 7.976 8.150 -0.196 0.000 0.494 876 L N 1.839 123.045 121.223 -0.029 0.000 2.277 876 L HA 0.431 4.902 4.340 -0.005 -0.134 0.284 876 L C -1.014 175.842 176.870 -0.023 0.000 1.028 876 L CA -0.696 54.140 54.840 -0.006 0.000 0.835 876 L CB 0.779 42.852 42.059 0.024 0.000 1.215 876 L HN 0.083 8.298 8.230 -0.024 0.000 0.425 877 L N 8.256 129.441 121.223 -0.065 0.000 2.272 877 L HA 0.307 4.601 4.340 -0.077 0.000 0.289 877 L C -0.806 175.987 176.870 -0.129 0.000 1.032 877 L CA -0.986 53.787 54.840 -0.112 0.000 0.810 877 L CB 0.305 42.245 42.059 -0.199 0.000 1.205 877 L HN 0.579 8.766 8.230 -0.072 0.000 0.422 878 E N 3.676 123.820 120.200 -0.094 0.000 2.250 878 E HA 0.143 4.426 4.350 -0.111 0.000 0.269 878 E C -0.129 176.409 176.600 -0.103 0.000 1.018 878 E CA -0.724 55.620 56.400 -0.093 0.000 0.873 878 E CB 1.253 30.920 29.700 -0.056 0.000 1.134 878 E HN 0.195 8.511 8.360 -0.073 0.000 0.403 879 E N -2.621 117.519 120.200 -0.100 0.000 2.513 879 E HA -0.235 4.072 4.350 -0.072 0.000 0.257 879 E C -0.679 175.873 176.600 -0.080 0.000 1.098 879 E CA 0.988 57.343 56.400 -0.075 0.000 0.752 879 E CB -1.606 28.067 29.700 -0.046 0.000 1.324 879 E HN 0.388 8.684 8.360 -0.107 0.000 0.403 880 V N -4.771 115.054 119.914 -0.147 0.000 2.870 880 V HA 0.004 4.092 4.120 -0.053 0.000 0.232 880 V C 0.127 176.193 176.094 -0.047 0.000 1.161 880 V CA 1.158 63.351 62.300 -0.178 0.000 1.204 880 V CB 0.763 32.248 31.823 -0.563 0.000 1.003 880 V HN -0.386 7.669 8.190 -0.177 0.028 0.499 881 D N 0.938 121.247 120.400 -0.152 0.000 2.371 881 D HA 0.109 4.764 4.640 0.024 0.000 0.256 881 D C -0.771 175.487 176.300 -0.069 0.000 1.193 881 D CA -1.729 52.226 54.000 -0.075 0.000 0.881 881 D CB 1.616 42.327 40.800 -0.148 0.000 1.143 881 D HN -0.123 8.098 8.370 -0.248 0.000 0.473 882 P HA -0.118 4.269 4.420 -0.055 0.000 0.225 882 P C -0.611 176.641 177.300 -0.079 0.000 1.148 882 P CA 0.724 63.787 63.100 -0.060 0.000 0.779 882 P CB 0.232 31.895 31.700 -0.061 0.000 0.780 883 N N 0.008 118.653 118.700 -0.092 0.000 2.401 883 N HA 0.182 4.864 4.740 -0.096 0.000 0.255 883 N C -0.283 175.136 175.510 -0.152 0.000 1.110 883 N CA -3.033 49.952 53.050 -0.109 0.000 0.949 883 N CB 0.798 39.223 38.487 -0.103 0.000 1.110 883 N HN -0.349 8.247 8.380 -0.088 -0.269 0.490 884 P HA -0.002 4.303 4.420 -0.190 0.000 0.237 884 P C -0.884 176.255 177.300 -0.268 0.000 1.178 884 P CA 0.863 63.854 63.100 -0.183 0.000 0.766 884 P CB 0.386 32.008 31.700 -0.129 0.000 0.876 885 A N -2.942 119.724 122.820 -0.256 0.000 2.169 885 A HA -0.043 4.079 4.320 -0.330 0.000 0.212 885 A C -0.261 177.018 177.584 -0.508 0.000 1.153 885 A CA 0.281 52.129 52.037 -0.316 0.000 0.756 885 A CB 0.321 19.213 19.000 -0.179 0.000 0.813 885 A HN -0.387 7.874 8.150 -0.201 -0.233 0.471 886 N N -1.953 116.478 118.700 -0.449 0.000 2.476 886 N HA 0.078 4.699 4.740 -0.332 -0.081 0.275 886 N C -0.855 174.268 175.510 -0.645 0.000 1.190 886 N CA -0.184 52.618 53.050 -0.414 0.000 0.977 886 N CB 1.351 39.721 38.487 -0.194 0.000 1.200 886 N HN -0.782 7.343 8.380 -0.347 0.047 0.515 887 F N -1.627 118.268 119.950 -0.092 0.000 2.532 887 F HA 0.152 4.615 4.527 -0.106 0.000 0.321 887 F C -1.497 174.223 175.800 -0.133 0.000 1.089 887 F CA -0.738 57.199 58.000 -0.105 0.000 0.926 887 F CB 3.146 42.092 39.000 -0.090 0.000 1.168 887 F HN 0.346 8.669 8.300 0.038 0.000 0.459 888 V N 0.557 120.463 119.914 -0.013 0.000 2.735 888 V HA 0.729 4.957 4.120 -0.091 -0.162 0.310 888 V C -1.143 174.906 176.094 -0.075 0.000 1.061 888 V CA -1.726 60.487 62.300 -0.144 0.000 0.913 888 V CB 3.531 35.071 31.823 -0.473 0.000 1.005 888 V HN 0.501 8.691 8.190 -0.000 0.000 0.428 889 G N 3.372 112.180 108.800 0.015 0.000 2.574 889 G HA2 0.830 4.974 3.960 -0.003 0.000 0.299 889 G HA3 0.830 4.815 3.960 0.042 0.000 0.299 889 G C -3.105 171.889 174.900 0.157 0.000 1.298 889 G CA -1.314 43.812 45.100 0.043 0.000 0.952 889 G HN 0.448 8.779 8.290 0.068 0.000 0.477 890 A N -0.843 122.027 122.820 0.083 0.000 2.517 890 A HA 1.061 5.704 4.320 0.196 -0.205 0.297 890 A C -2.256 175.332 177.584 0.007 0.000 1.050 890 A CA -1.094 51.026 52.037 0.138 0.000 0.694 890 A CB 3.396 22.534 19.000 0.229 0.000 1.277 890 A HN -0.265 7.885 8.150 0.000 0.000 0.400 891 G N -0.260 108.594 108.800 0.090 0.000 2.495 891 G HA2 0.716 4.841 3.960 0.083 0.000 0.294 891 G HA3 0.716 4.699 3.960 -0.007 -0.027 0.294 891 G C -3.270 171.812 174.900 0.304 0.000 1.397 891 G CA 0.394 45.571 45.100 0.127 0.000 0.790 891 G HN 0.349 8.745 8.290 0.176 0.000 0.486 892 I N -1.041 119.674 120.570 0.241 0.000 2.406 892 I HA 0.559 4.915 4.170 0.020 -0.173 0.290 892 I C -0.948 175.048 176.117 -0.201 0.000 0.999 892 I CA -1.156 60.133 61.300 -0.018 0.000 1.124 892 I CB 3.294 41.176 38.000 -0.196 0.000 1.289 892 I HN 0.188 8.542 8.210 0.239 0.000 0.441 893 I N 7.453 127.842 120.570 -0.301 0.000 2.396 893 I HA 0.038 4.108 4.170 -0.404 -0.142 0.289 893 I C -0.884 175.080 176.117 -0.255 0.000 1.056 893 I CA -1.534 59.541 61.300 -0.375 0.000 1.365 893 I CB -0.898 36.857 38.000 -0.410 0.000 1.407 893 I HN 0.382 8.461 8.210 -0.218 0.000 0.509 894 H N 9.504 128.598 119.070 0.040 0.000 2.488 894 H HA 0.826 5.581 4.556 0.025 -0.184 0.322 894 H C -0.004 175.311 175.328 -0.021 0.000 1.078 894 H CA -1.139 54.935 56.048 0.044 0.000 1.260 894 H CB 1.642 31.465 29.762 0.101 0.000 1.425 894 H HN 0.230 8.542 8.280 0.053 0.000 0.471 895 T N -1.034 113.570 114.554 0.084 0.000 2.901 895 T HA 0.381 4.762 4.350 -0.113 -0.099 0.293 895 T C -0.372 174.319 174.700 -0.015 0.000 1.084 895 T CA -2.996 59.083 62.100 -0.034 0.000 1.008 895 T CB 3.009 71.847 68.868 -0.049 0.000 1.170 895 T HN -0.235 8.231 8.240 0.125 -0.151 0.509 896 K N 2.134 122.503 120.400 -0.052 0.000 2.063 896 K HA -0.252 4.050 4.320 -0.030 0.000 0.208 896 K C 1.251 177.842 176.600 -0.016 0.000 1.048 896 K CA 2.984 59.249 56.287 -0.035 0.000 0.928 896 K CB 0.435 32.906 32.500 -0.048 0.000 0.713 896 K HN 0.482 8.681 8.250 -0.085 0.000 0.442 897 T N -7.762 106.783 114.554 -0.016 0.000 3.037 897 T HA 0.037 4.383 4.350 -0.007 0.000 0.252 897 T C 0.554 175.256 174.700 0.003 0.000 1.073 897 T CA 0.246 62.342 62.100 -0.008 0.000 1.091 897 T CB 1.042 69.903 68.868 -0.012 0.000 0.935 897 T HN -0.538 7.665 8.240 -0.023 0.023 0.488 898 T N -0.131 114.429 114.554 0.010 0.000 3.041 898 T HA 0.204 4.565 4.350 0.019 0.000 0.321 898 T C -2.295 172.426 174.700 0.035 0.000 1.184 898 T CA -1.523 60.587 62.100 0.016 0.000 1.050 898 T CB 1.870 70.738 68.868 0.000 0.000 1.159 898 T HN -0.618 7.627 8.240 0.008 0.000 0.469 899 Q N 3.577 123.407 119.800 0.050 0.000 2.325 899 Q HA 0.611 5.151 4.340 0.063 -0.162 0.262 899 Q C -0.373 175.625 176.000 -0.003 0.000 0.968 899 Q CA -1.631 54.207 55.803 0.060 0.000 0.877 899 Q CB 1.550 30.372 28.738 0.141 0.000 1.253 899 Q HN 0.212 8.509 8.270 0.045 0.000 0.448 900 I N 4.916 125.454 120.570 -0.053 0.000 2.355 900 I HA 0.246 4.397 4.170 -0.031 0.000 0.288 900 I C -0.470 175.621 176.117 -0.044 0.000 0.999 900 I CA -1.040 60.230 61.300 -0.051 0.000 1.163 900 I CB 1.346 39.304 38.000 -0.069 0.000 1.316 900 I HN 0.582 8.740 8.210 -0.087 0.000 0.454 901 G N 6.013 114.806 108.800 -0.012 0.000 2.403 901 G HA2 0.334 4.314 3.960 0.034 0.000 0.259 901 G HA3 0.334 4.304 3.960 0.016 0.000 0.259 901 G C -1.749 173.176 174.900 0.043 0.000 1.244 901 G CA -0.568 44.544 45.100 0.020 0.000 0.849 901 G HN -0.223 8.059 8.290 -0.012 0.000 0.532 902 C N 3.482 122.854 119.300 0.120 0.000 2.535 902 C HA 0.545 5.208 4.460 0.120 -0.131 0.319 902 C C -1.258 173.862 174.990 0.217 0.000 1.171 902 C CA -0.518 58.609 59.018 0.182 0.000 1.394 902 C CB 1.939 29.874 27.740 0.326 0.000 1.990 902 C HN 0.391 8.708 8.230 0.144 0.000 0.466 903 L N 2.485 123.835 121.223 0.213 0.000 2.386 903 L HA 0.898 5.619 4.340 0.368 -0.160 0.271 903 L C -1.761 175.375 176.870 0.444 0.000 0.993 903 L CA -1.323 53.721 54.840 0.340 0.000 0.819 903 L CB 3.186 45.403 42.059 0.264 0.000 1.294 903 L HN 0.636 8.965 8.230 0.166 0.000 0.414 904 L N -1.182 120.325 121.223 0.473 0.000 2.415 904 L HA 0.998 5.808 4.340 0.449 -0.201 0.256 904 L C -0.628 176.427 176.870 0.308 0.000 1.010 904 L CA -0.993 54.081 54.840 0.389 0.000 0.826 904 L CB 2.516 44.732 42.059 0.262 0.000 1.405 904 L HN 0.458 8.967 8.230 0.465 0.000 0.410 905 R N 2.463 123.117 120.500 0.258 0.000 2.533 905 R HA 0.750 5.128 4.340 0.064 0.000 0.288 905 R C -2.692 173.681 176.300 0.122 0.000 1.039 905 R CA -0.345 55.832 56.100 0.130 0.000 0.909 905 R CB 2.961 33.310 30.300 0.081 0.000 1.195 905 R HN 0.336 nan 8.270 nan 0.000 0.438 906 L N 6.621 127.901 121.223 0.095 0.000 2.343 906 L HA 0.580 5.112 4.340 0.070 -0.149 0.278 906 L C -2.621 174.330 176.870 0.135 0.000 0.996 906 L CA -0.242 54.648 54.840 0.083 0.000 0.831 906 L CB 3.399 45.433 42.059 -0.041 0.000 1.232 906 L HN 0.742 9.031 8.230 0.098 0.000 0.413 907 E N 7.741 128.005 120.200 0.106 0.000 2.101 907 E HA 0.609 5.166 4.350 0.037 -0.185 0.260 907 E C -2.497 174.129 176.600 0.043 0.000 0.897 907 E CA -3.382 53.052 56.400 0.056 0.000 0.744 907 E CB 1.208 30.918 29.700 0.016 0.000 1.140 907 E HN 0.453 8.874 8.360 0.101 0.000 0.419 908 P HA 0.018 4.144 4.420 -0.489 0.000 0.275 908 P C -1.270 175.894 177.300 -0.225 0.000 1.227 908 P CA -0.417 62.556 63.100 -0.212 0.000 0.781 908 P CB 0.581 32.222 31.700 -0.098 0.000 0.906 909 N N 3.784 122.283 118.700 -0.334 0.000 2.626 909 N HA 0.233 4.873 4.740 -0.166 0.000 0.242 909 N C 0.206 175.576 175.510 -0.233 0.000 1.005 909 N CA -1.839 51.078 53.050 -0.222 0.000 0.905 909 N CB 0.533 38.912 38.487 -0.180 0.000 1.128 909 N HN 0.375 8.457 8.380 -0.497 0.000 0.512 910 L N 4.501 125.621 121.223 -0.172 0.000 2.093 910 L HA -0.125 4.108 4.340 -0.179 0.000 0.208 910 L C 1.422 178.227 176.870 -0.108 0.000 1.085 910 L CA 2.591 57.345 54.840 -0.142 0.000 0.755 910 L CB 0.197 42.201 42.059 -0.091 0.000 0.904 910 L HN 0.604 8.748 8.230 -0.144 0.000 0.435 911 Q N -3.388 116.358 119.800 -0.089 0.000 2.187 911 Q HA -0.155 4.152 4.340 -0.056 0.000 0.199 911 Q C 1.268 177.226 176.000 -0.069 0.000 0.957 911 Q CA 1.984 57.747 55.803 -0.066 0.000 0.857 911 Q CB -0.185 28.522 28.738 -0.053 0.000 0.929 911 Q HN -0.229 8.068 8.270 -0.091 -0.082 0.453 912 A N -2.007 120.759 122.820 -0.089 0.000 2.169 912 A HA -0.030 4.252 4.320 -0.062 0.000 0.212 912 A C -0.477 177.047 177.584 -0.100 0.000 1.153 912 A CA -0.013 51.974 52.037 -0.083 0.000 0.756 912 A CB 0.302 19.253 19.000 -0.083 0.000 0.813 912 A HN -0.623 7.731 8.150 -0.102 -0.265 0.471 913 Q N -5.223 114.496 119.800 -0.136 0.000 2.463 913 Q HA -0.410 3.817 4.340 -0.188 0.000 0.299 913 Q C -1.317 174.563 176.000 -0.199 0.000 1.353 913 Q CA 0.771 56.482 55.803 -0.154 0.000 0.828 913 Q CB -2.570 26.125 28.738 -0.072 0.000 1.157 913 Q HN -0.363 7.641 8.270 -0.140 0.182 0.436 914 M N -1.992 117.419 119.600 -0.315 0.000 2.658 914 M HA 0.610 5.071 4.480 -0.278 -0.148 0.295 914 M C -2.337 173.591 176.300 -0.620 0.000 1.248 914 M CA -0.655 54.438 55.300 -0.346 0.000 0.843 914 M CB 5.412 37.887 32.600 -0.207 0.000 1.749 914 M HN -0.554 7.537 8.290 -0.333 0.000 0.464 915 Y N 0.269 120.224 120.300 -0.574 0.000 2.499 915 Y HA 0.622 5.112 4.550 -0.373 -0.164 0.347 915 Y C 0.151 175.786 175.900 -0.442 0.000 0.987 915 Y CA -1.045 56.698 58.100 -0.596 0.000 1.044 915 Y CB 3.093 40.969 38.460 -0.974 0.000 1.245 915 Y HN 0.775 8.710 8.280 -0.574 0.000 0.461 916 R N 5.255 125.738 120.500 -0.029 0.000 2.310 916 R HA 0.598 4.984 4.340 0.076 0.000 0.324 916 R C -2.097 174.280 176.300 0.129 0.000 0.955 916 R CA -0.820 55.315 56.100 0.058 0.000 0.830 916 R CB 1.609 31.941 30.300 0.054 0.000 1.154 916 R HN 0.459 nan 8.270 nan 0.000 0.458 917 L N 7.876 129.230 121.223 0.217 0.000 2.322 917 L HA 0.841 5.457 4.340 0.164 -0.177 0.281 917 L C -2.111 174.879 176.870 0.201 0.000 1.014 917 L CA -0.758 54.209 54.840 0.213 0.000 0.815 917 L CB 3.576 45.806 42.059 0.284 0.000 1.247 917 L HN 0.617 9.008 8.230 0.268 0.000 0.421 918 T N 9.619 124.304 114.554 0.219 0.000 2.812 918 T HA 0.507 5.141 4.350 0.201 -0.163 0.282 918 T C -1.939 172.922 174.700 0.268 0.000 0.990 918 T CA -0.559 61.694 62.100 0.256 0.000 0.960 918 T CB 1.851 70.951 68.868 0.385 0.000 0.948 918 T HN 0.610 8.982 8.240 0.220 0.000 0.438 919 L N 5.964 127.290 121.223 0.172 0.000 2.307 919 L HA 0.612 5.231 4.340 0.201 -0.159 0.284 919 L C 0.153 177.030 176.870 0.012 0.000 1.023 919 L CA -1.030 53.893 54.840 0.137 0.000 0.810 919 L CB 1.530 43.657 42.059 0.114 0.000 1.231 919 L HN 0.726 9.038 8.230 0.136 0.000 0.423 920 R N 5.217 125.690 120.500 -0.045 0.000 2.451 920 R HA 0.663 4.881 4.340 -0.203 0.000 0.307 920 R C -0.776 175.466 176.300 -0.097 0.000 0.965 920 R CA -0.236 55.732 56.100 -0.219 0.000 0.865 920 R CB 1.890 31.810 30.300 -0.634 0.000 1.174 920 R HN 0.435 nan 8.270 nan 0.000 0.455 921 T N -1.170 113.337 114.554 -0.078 0.000 2.812 921 T HA 0.738 5.224 4.350 -0.027 -0.152 0.294 921 T C -0.372 174.294 174.700 -0.056 0.000 1.159 921 T CA -2.035 60.042 62.100 -0.038 0.000 1.008 921 T CB 2.418 71.282 68.868 -0.005 0.000 1.289 921 T HN -0.049 8.135 8.240 -0.093 0.000 0.514 922 S N -2.225 113.451 115.700 -0.041 0.000 2.650 922 S HA 0.049 4.489 4.470 -0.050 0.000 0.219 922 S C 0.212 174.790 174.600 -0.037 0.000 0.960 922 S CA 0.906 59.082 58.200 -0.041 0.000 0.925 922 S CB 0.038 63.220 63.200 -0.030 0.000 0.775 922 S HN 0.140 8.432 8.310 -0.031 0.000 0.525 923 K N 1.825 122.202 120.400 -0.038 0.000 2.581 923 K HA 0.293 4.594 4.320 -0.032 0.000 0.249 923 K C -0.482 176.098 176.600 -0.035 0.000 0.966 923 K CA -0.640 55.626 56.287 -0.035 0.000 0.811 923 K CB 2.621 35.100 32.500 -0.034 0.000 1.223 923 K HN -0.682 7.480 8.250 -0.039 0.065 0.438 924 D N 7.567 127.949 120.400 -0.031 0.000 2.133 924 D HA -0.382 4.359 4.640 -0.030 -0.119 0.192 924 D C 1.550 177.835 176.300 -0.025 0.000 1.001 924 D CA 3.335 57.319 54.000 -0.028 0.000 0.844 924 D CB -0.897 39.888 40.800 -0.024 0.000 0.944 924 D HN 0.575 8.927 8.370 -0.030 0.000 0.447 925 T N -5.833 108.705 114.554 -0.027 0.000 2.915 925 T HA -0.223 4.113 4.350 -0.024 0.000 0.269 925 T C 1.302 175.977 174.700 -0.042 0.000 1.071 925 T CA 2.362 64.445 62.100 -0.029 0.000 1.132 925 T CB -0.304 68.549 68.868 -0.025 0.000 0.878 925 T HN -0.222 8.003 8.240 -0.026 0.000 0.479 926 V N 0.218 120.103 119.914 -0.048 0.000 2.379 926 V HA -0.255 3.811 4.120 -0.089 0.000 0.245 926 V C 1.598 177.673 176.094 -0.033 0.000 1.044 926 V CA 2.557 64.817 62.300 -0.066 0.000 1.036 926 V CB -0.109 31.666 31.823 -0.080 0.000 0.664 926 V HN -0.564 7.574 8.190 -0.044 0.026 0.453 927 S N 0.950 116.641 115.700 -0.015 0.000 2.370 927 S HA -0.356 4.133 4.470 0.033 0.000 0.226 927 S C 2.184 176.795 174.600 0.018 0.000 1.033 927 S CA 3.909 62.115 58.200 0.010 0.000 1.011 927 S CB -0.630 62.566 63.200 -0.006 0.000 0.852 927 S HN -0.323 7.973 8.310 -0.024 0.000 0.457 928 Q N 1.279 121.079 119.800 -0.001 0.000 2.020 928 Q HA -0.286 4.058 4.340 0.007 0.000 0.202 928 Q C 2.011 178.011 176.000 -0.000 0.000 0.982 928 Q CA 2.836 58.639 55.803 -0.000 0.000 0.838 928 Q CB -0.188 28.544 28.738 -0.009 0.000 0.899 928 Q HN -0.278 7.986 8.270 -0.010 0.000 0.423 929 R N 0.157 120.646 120.500 -0.018 0.000 2.092 929 R HA -0.112 4.216 4.340 -0.020 0.000 0.231 929 R C 2.576 178.892 176.300 0.027 0.000 1.119 929 R CA 1.392 57.476 56.100 -0.026 0.000 0.970 929 R CB -0.843 29.401 30.300 -0.094 0.000 0.864 929 R HN 0.273 nan 8.270 nan 0.000 0.440 930 L N -0.933 120.327 121.223 0.062 0.000 2.093 930 L HA -0.273 4.250 4.340 0.304 0.000 0.208 930 L C 1.652 178.628 176.870 0.177 0.000 1.085 930 L CA 2.174 57.143 54.840 0.216 0.000 0.755 930 L CB 0.002 42.215 42.059 0.256 0.000 0.904 930 L HN -0.191 8.057 8.230 0.030 0.000 0.435 931 C N 0.843 120.195 119.300 0.087 0.000 2.429 931 C HA -0.477 4.005 4.460 0.036 0.000 0.277 931 C C 1.870 176.848 174.990 -0.020 0.000 1.262 931 C CA 3.605 62.645 59.018 0.036 0.000 1.733 931 C CB -1.930 25.834 27.740 0.041 0.000 2.010 931 C HN -0.127 8.149 8.230 0.076 0.000 0.483 932 E N 0.091 120.287 120.200 -0.007 0.000 2.058 932 E HA -0.460 3.852 4.350 -0.064 0.000 0.194 932 E C 2.495 179.081 176.600 -0.023 0.000 0.997 932 E CA 3.217 59.599 56.400 -0.030 0.000 0.801 932 E CB -0.209 29.485 29.700 -0.009 0.000 0.746 932 E HN -0.509 7.858 8.360 0.012 0.000 0.450 933 L N -1.949 119.307 121.223 0.055 0.000 2.027 933 L HA -0.312 4.091 4.340 0.104 0.000 0.206 933 L C 2.072 178.944 176.870 0.003 0.000 1.074 933 L CA 2.814 57.725 54.840 0.119 0.000 0.745 933 L CB 0.082 42.329 42.059 0.312 0.000 0.898 933 L HN -0.397 7.882 8.230 0.081 0.000 0.433 934 L N -3.078 118.062 121.223 -0.138 0.000 2.093 934 L HA -0.233 3.791 4.340 -0.527 0.000 0.208 934 L C 2.295 179.066 176.870 -0.165 0.000 1.085 934 L CA 2.335 56.945 54.840 -0.383 0.000 0.755 934 L CB -0.096 41.594 42.059 -0.615 0.000 0.904 934 L HN -0.310 7.885 8.230 -0.058 0.000 0.435 935 S N 0.357 115.913 115.700 -0.240 0.000 2.399 935 S HA -0.277 3.767 4.470 -0.710 0.000 0.231 935 S C 1.921 176.249 174.600 -0.453 0.000 1.022 935 S CA 3.806 61.647 58.200 -0.598 0.000 0.983 935 S CB -0.734 62.009 63.200 -0.761 0.000 0.803 935 S HN -0.211 7.972 8.310 -0.212 0.000 0.480 936 E N -1.807 118.251 120.200 -0.237 0.000 2.338 936 E HA -0.208 4.064 4.350 -0.130 0.000 0.197 936 E C 1.349 177.899 176.600 -0.084 0.000 1.007 936 E CA 1.965 58.292 56.400 -0.122 0.000 0.849 936 E CB -0.765 28.911 29.700 -0.040 0.000 0.774 936 E HN -0.374 7.842 8.360 -0.200 0.024 0.506 937 Q N -3.946 115.734 119.800 -0.200 0.000 2.425 937 Q HA 0.090 4.309 4.340 -0.202 0.000 0.204 937 Q C -0.672 175.036 176.000 -0.487 0.000 0.933 937 Q CA 0.366 55.932 55.803 -0.394 0.000 0.939 937 Q CB 1.017 29.336 28.738 -0.698 0.000 1.044 937 Q HN -0.409 7.544 8.270 -0.216 0.186 0.513 938 F N 0.000 120.011 119.950 0.101 0.000 2.286 938 F HA 0.000 4.643 4.527 0.194 0.000 0.279 938 F CA 0.000 58.087 58.000 0.146 0.000 1.383 938 F CB 0.000 38.843 39.000 -0.261 0.000 1.145 938 F HN 0.000 8.298 8.300 0.088 0.055 0.574