NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1133 8.0093 120.7866 61.0431 39.1774 174.5115 2 T 4.4370 8.2829 117.0066 59.5011 70.8764 171.8563 3 A 4.6808 8.7659 126.0537 50.5311 23.3208 177.2249 4 K 4.3264 8.2784 118.8509 55.0481 33.0410 175.7606 5 P 4.3633 0.0000 0.0000 61.9958 31.8691 176.5657 6 A 4.0488 8.4786 123.4250 52.8814 18.6464 178.4087 7 K 4.2179 8.6729 121.9425 58.9763 32.7035 177.8139 8 T 4.6025 7.3430 107.3423 58.0625 68.4087 170.8113 9 P 4.0858 0.0000 0.0000 64.2738 32.2289 176.2958 10 T 5.2535 8.4393 118.3845 61.0788 69.0404 175.1481 11 S 4.3964 8.3917 122.0580 57.2556 65.3200 172.9110 12 P 4.1803 0.0000 0.0000 65.7372 30.9409 178.9012 13 K 3.9305 7.9342 117.7944 59.5441 32.2032 178.5754 14 E 3.9623 7.9835 118.4428 59.6021 29.3760 179.4310 15 Q 3.9565 8.4562 118.1603 58.7999 28.6604 178.6313 16 A 3.9783 8.1207 121.8785 55.0798 18.3235 179.7995 17 I 3.7190 7.7281 118.4662 64.5093 37.1451 178.9480 18 G 3.5803 8.2367 106.6875 47.5171 0.0000 175.4941 19 L 3.8479 8.3030 123.1165 58.0322 42.0659 179.2337 20 S 4.0318 8.0718 115.1529 61.6319 62.8063 176.9513 21 V 3.6294 8.0076 120.9594 66.1873 31.3904 178.1707 22 T 4.0412 8.2627 115.6198 66.8773 68.3745 176.5614 23 F 4.2142 8.9357 120.0428 60.7752 38.8708 177.8382 24 L 4.1453 8.5347 119.0320 57.7374 41.1772 179.6852 25 S 4.1473 8.2631 113.4546 60.9473 61.5269 176.2283 26 F 4.3108 8.0576 120.4496 60.0788 39.0428 178.0731 27 L 4.3654 8.2634 118.6747 57.5805 41.3352 179.4687 28 L 4.0438 8.2834 119.1716 57.4513 41.7016 177.7296 29 P 4.2861 0.0000 0.0000 65.5962 31.2819 178.6084 30 A 4.2031 7.6957 119.0455 55.1782 18.2947 179.8361 31 G 3.6896 8.4989 104.5501 47.6389 0.0000 175.6353 32 W 4.1845 8.7074 131.0180 60.2934 30.5810 178.2246 33 V 3.8303 7.9941 116.5717 66.2985 31.1872 177.6310 34 L 4.1486 8.4177 119.0602 57.9373 41.1683 179.0198 35 Y 3.9499 8.0175 118.8880 60.5869 38.9425 176.6072 36 H 4.1537 7.5531 115.4145 55.4483 28.6489 176.9271 37 L 3.8498 6.9859 123.9424 58.3255 41.4292 179.3572 38 D 4.2788 7.7137 117.8631 57.3620 40.5450 178.4346 39 N 4.2974 7.6830 115.6079 55.9347 38.4966 176.6172 40 Y 4.5815 7.0362 117.1720 60.8350 38.4074 177.3120 41 K 4.3200 8.0036 118.4206 58.1041 32.8219 177.0244 42 K 4.4315 7.3876 120.4560 54.5122 32.7771 175.9419 43 S 4.3033 8.2861 119.9387 58.9897 63.7230 175.9807 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 I 8.01 4.11 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.35 0.91 0.00 0.00 2 T 8.28 4.44 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 3 A 8.77 4.68 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.28 4.33 0.00 1.76 1.75 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.46 7.81 5 P 0.00 4.36 0.00 2.04 1.98 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 6 A 8.48 4.05 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.67 4.22 0.00 1.76 1.88 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.42 7.81 8 T 7.34 4.60 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 9 P 0.00 4.09 0.00 2.05 2.06 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.26 0.00 10 T 8.44 5.25 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 11 S 8.39 4.40 0.00 4.04 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.18 0.00 2.16 2.14 0.00 3.59 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 13 K 7.93 3.93 0.00 1.77 1.79 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.46 7.81 14 E 7.98 3.96 0.00 2.22 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 15 Q 8.46 3.96 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 16 A 8.12 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.73 3.72 2.05 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.81 0.91 0.00 0.00 18 G 8.24 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.30 3.85 0.00 1.70 1.65 0.65 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.07 4.03 0.00 3.89 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.01 3.63 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.02 0.00 0.00 22 T 8.26 4.04 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 23 F 8.94 4.21 0.00 3.16 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.53 4.15 0.00 1.90 1.79 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.26 4.15 0.00 4.02 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.06 4.31 0.00 3.31 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.26 4.37 0.00 1.78 1.78 0.97 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.28 4.04 0.00 1.78 1.75 0.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.29 0.00 2.17 2.08 0.00 3.80 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 30 A 7.70 4.20 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.50 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 W 8.71 4.18 0.00 3.54 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.99 3.83 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.39 0.00 0.00 34 L 8.42 4.15 0.00 2.00 1.75 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.02 3.95 0.00 2.92 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 7.55 4.15 0.00 2.26 2.13 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 6.99 3.85 0.00 1.72 1.64 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.71 4.28 0.00 2.57 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 7.68 4.30 0.00 2.36 2.76 0.00 0.00 6.91 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 7.04 4.58 0.00 3.06 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.00 4.32 0.00 1.82 1.92 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.63 7.81 42 K 7.39 4.43 0.00 1.61 1.67 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.41 7.81 43 S 8.29 4.30 0.00 3.98 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00