NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 V 4.0447 8.0393 114.0565 61.7176 32.4944 174.1726 30 T 4.0654 8.2660 114.6737 60.6006 69.9793 172.0632 31 D 4.4798 8.6387 123.0896 53.7230 42.7723 176.3646 32 A 4.2530 8.2355 125.3818 52.0802 19.2487 177.2985 33 T 4.7762 7.9848 110.7607 58.9663 73.5319 175.1471 34 L 4.0904 8.4422 119.8870 58.0723 41.5430 179.9881 35 G 3.6707 8.1089 105.0926 47.7323 0.0000 175.5569 36 S 4.1008 7.8451 115.3392 61.2392 62.4115 176.3891 37 V 3.5660 8.3682 121.3159 66.0831 31.2409 177.4032 38 Y 3.8449 8.2575 119.5536 60.7570 38.5355 178.0267 39 S 4.3106 8.3138 113.5520 60.1882 63.4521 175.0117 40 E 4.5857 8.2958 119.5099 56.4841 30.5300 175.4759 41 I 4.3826 7.3256 117.5163 62.1429 40.5895 177.3540 42 I 4.2326 8.2650 121.8388 64.0936 37.2454 178.6980 43 S 3.8010 7.8010 114.0468 60.8790 62.1966 174.4749 44 P 4.4256 0.0000 0.0000 65.2656 31.0508 178.8065 45 V 3.5695 7.9580 117.6543 65.7094 31.4175 177.9895 46 K 3.9054 7.9818 119.4730 59.5418 31.9472 178.5816 47 D 4.3629 7.8862 118.8570 57.3634 40.6006 178.5272 48 C 4.1295 7.9664 117.3489 62.7695 28.0463 176.1449 49 I 3.6643 7.8976 121.4686 64.4060 36.7174 178.5160 50 L 3.9530 7.9900 119.7341 58.0513 41.4492 179.7255 51 T 3.8140 8.0317 115.7422 66.6505 68.3114 176.9264 52 V 3.5416 8.0589 120.1494 65.8445 31.6110 177.8946 53 A 3.8932 8.2783 120.9772 54.9376 17.9410 179.5401 54 K 3.5759 7.7428 117.1226 59.3300 32.6494 178.5814 55 A 3.7525 7.6428 121.0385 55.0667 18.0784 179.6595 56 V 3.5368 7.6429 116.0387 66.2154 31.6170 178.1866 57 S 4.2687 7.5025 112.6433 61.7296 62.9055 175.1951 58 F 4.7529 7.7483 121.7330 57.5491 38.7805 174.5860 59 N 5.2283 7.6058 116.7785 51.3427 44.4089 169.2274 60 P 4.8545 0.0000 0.0000 62.9265 37.9462 175.6444 61 G 4.1787 9.3765 101.2524 43.8241 0.0000 172.8035 62 G 4.1284 7.5857 106.4426 43.9686 0.0000 173.2980 63 K 4.1501 8.3854 121.6309 58.2879 32.3383 179.1530 64 D 4.2842 7.9788 119.0934 57.5806 40.9341 178.0730 65 N 4.3241 8.1129 116.3646 56.5626 38.5655 177.3425 66 T 3.8508 7.8831 116.5501 66.9568 68.5688 176.1470 67 D 4.3675 8.0920 120.3032 57.2416 40.7401 178.7996 68 A 3.9763 7.9242 121.4238 55.0163 18.3191 179.7542 69 V 3.5154 7.8175 116.7542 66.1771 31.5585 178.1704 70 E 3.9152 8.1046 118.1629 59.4117 29.3723 179.4521 71 V 3.5746 8.0873 118.6049 66.1381 31.6111 178.1037 72 L 4.0219 8.3581 119.0867 57.9721 41.4169 179.6588 73 T 3.8806 8.1368 115.9194 66.6797 68.3764 176.6108 74 E 3.9760 8.3564 120.5930 59.0899 29.4321 179.1022 75 L 3.9272 8.0024 120.3587 58.4201 42.3253 178.9117 76 N 4.3487 8.2437 116.3178 56.6332 38.4790 177.6338 77 T 4.0717 8.0874 117.1959 66.4885 68.4732 176.9701 78 K 4.0087 8.2440 120.6583 59.3862 32.0264 179.6546 79 V 3.6608 8.0064 118.6417 65.8911 31.2136 177.9881 80 E 3.9786 8.6860 118.3596 59.1535 29.5382 179.0935 81 R 4.0130 8.0303 118.5934 59.3137 30.1825 178.3225 82 A 3.9796 8.0295 120.3959 55.2453 18.2150 179.4671 83 A 4.1229 8.1523 117.7176 54.3486 18.5952 178.6939 84 L 4.3139 7.7679 116.5667 54.0580 41.7408 178.5466 85 N 4.3662 8.4013 117.7889 53.5730 39.8229 173.7794 86 Q 4.3337 7.9570 123.1151 57.1037 30.8108 172.6974 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 29 V 8.04 4.04 2.08 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 0.92 0.00 0.00 0.93 0.00 0.00 30 T 8.27 4.07 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 31 D 8.64 4.48 0.00 2.64 2.63 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 A 8.24 4.25 1.25 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 33 T 7.98 4.78 4.25 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 1.22 0.00 0.00 34 L 8.44 4.09 0.00 1.73 1.78 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.11 3.67 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 36 S 7.85 4.10 0.00 3.87 4.12 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 37 V 8.37 3.57 2.27 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 1.03 0.00 0.00 1.03 0.00 0.00 38 Y 8.26 3.84 0.00 3.11 3.00 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 39 S 8.31 4.31 0.00 4.11 4.13 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 40 E 8.30 4.59 0.00 2.02 1.97 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 2.23 2.30 0.00 41 I 7.33 4.38 2.03 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 1.39 0.70 0.88 0.00 0.00 42 I 8.26 4.23 1.72 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.78 0.91 0.00 0.00 43 S 7.80 3.80 0.00 3.15 3.56 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 44 P 0.00 4.43 0.00 2.14 2.03 0.00 3.65 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 45 V 7.96 3.57 2.36 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 1.05 0.00 0.00 0.96 0.00 0.00 46 K 7.98 3.91 0.00 1.81 1.94 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.62 7.81 47 D 7.89 4.36 0.00 2.95 2.68 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 48 C 7.97 4.13 0.00 3.15 2.95 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 49 I 7.90 3.66 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.86 0.89 0.00 0.00 50 L 7.99 3.95 0.00 1.80 1.68 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.03 3.81 4.36 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 1.19 0.00 0.00 52 V 8.06 3.54 2.16 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 1.08 0.00 0.00 0.99 0.00 0.00 53 A 8.28 3.89 1.34 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 54 K 7.74 3.58 0.00 1.69 1.85 0.00 1.67 0.00 0.00 1.37 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 0.74 7.81 55 A 7.64 3.75 1.33 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 56 V 7.64 3.54 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 0.86 0.00 0.00 0.94 0.00 0.00 57 S 7.50 4.27 0.00 4.08 3.89 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 58 F 7.75 4.75 0.00 3.23 2.87 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 59 N 7.61 5.23 0.00 2.70 2.71 0.00 0.00 6.69 8.02 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 60 P 0.00 4.85 0.00 2.14 1.69 0.00 3.80 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 1.87 1.94 0.00 61 G 9.38 4.18 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 62 G 7.59 4.13 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 63 K 8.39 4.15 0.00 1.83 1.80 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.65 1.52 7.81 64 D 7.98 4.28 0.00 2.76 2.69 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 65 N 8.11 4.32 0.00 2.71 2.84 0.00 0.00 7.02 7.05 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 66 T 7.88 3.85 4.40 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 1.20 0.00 0.00 67 D 8.09 4.37 0.00 2.91 2.71 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 68 A 7.92 3.98 1.37 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 69 V 7.82 3.52 2.25 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 1.08 0.00 0.00 0.95 0.00 0.00 70 E 8.10 3.92 0.00 2.21 1.97 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 2.52 0.00 71 V 8.09 3.57 2.07 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 1.02 0.00 0.00 0.94 0.00 0.00 72 L 8.36 4.02 0.00 1.73 1.68 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.14 3.88 4.42 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 1.20 0.00 0.00 74 E 8.36 3.98 0.00 2.13 1.99 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 2.32 2.62 0.00 75 L 8.00 3.93 0.00 1.75 1.84 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.24 4.35 0.00 2.99 2.84 0.00 0.00 7.11 6.56 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 77 T 8.09 4.07 4.35 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 1.21 0.00 0.00 78 K 8.24 4.01 0.00 1.97 1.85 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.58 7.81 79 V 8.01 3.66 2.07 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 1.11 0.00 0.00 0.99 0.00 0.00 80 E 8.69 3.98 0.00 2.18 2.02 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 2.39 2.38 0.00 81 R 8.03 4.01 0.00 2.03 2.11 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 82 A 8.03 3.98 1.38 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 83 A 8.15 4.12 1.40 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 84 L 7.77 4.31 0.00 1.91 1.69 0.93 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 85 N 8.40 4.37 0.00 2.82 2.95 0.00 0.00 6.91 6.63 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 86 Q 7.96 4.33 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.32 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00