NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3065 8.2644 123.5813 50.8443 20.9306 177.1764 2 K 4.0358 7.8543 116.4687 54.2594 33.9808 172.4376 3 T 3.8869 7.9701 116.3210 60.8048 68.8587 170.2047 4 I 4.2186 7.5375 123.2115 60.0553 41.5954 173.4886 5 K 4.6267 8.6131 129.2484 56.6201 33.0781 176.1374 6 I 5.1745 8.9267 123.1195 60.2299 41.8772 174.5226 7 T 4.6508 8.4610 119.8590 62.3014 72.8479 175.3869 8 Q 3.8045 8.9137 124.1134 57.7380 29.0974 179.3224 9 T 3.5410 8.4972 110.8733 63.0327 67.6532 171.5941 10 R 4.3793 8.3119 116.9548 55.0167 33.5884 174.0977 11 S 4.2059 8.8915 119.3884 59.0464 62.7848 173.3608 12 A 4.7703 8.2764 125.9900 52.1132 18.3448 178.2748 13 I 3.9160 6.9524 121.0512 65.3395 37.6190 178.7233 14 G 3.7496 7.8738 112.4551 47.8058 0.0000 173.9157 15 R 4.0561 7.2706 117.8407 56.2772 30.6687 176.8488 16 L 4.1336 8.5009 120.4841 54.8081 43.4591 176.8812 17 P 4.3436 0.0000 0.0000 65.4565 31.3968 179.1360 18 K 4.0104 7.9681 117.0115 59.6022 31.9735 178.5581 19 H 4.2483 8.2343 116.0169 59.0797 28.6187 177.3901 20 K 3.8661 7.9505 119.6229 59.7776 32.0407 178.9503 21 A 3.8824 8.3570 121.0901 55.9010 18.1560 179.9746 22 T 3.8418 8.3593 114.1868 66.7287 68.6412 176.8139 23 L 3.9373 8.4142 121.2843 57.9284 41.5755 179.3356 24 L 4.0028 8.7339 120.4688 58.3499 41.8956 179.3289 25 G 3.1492 7.9368 104.1565 47.6412 0.0000 174.9184 26 L 4.2662 8.3206 120.1380 54.9541 41.7608 177.5117 27 G 3.8910 8.6608 107.5369 46.1709 0.0000 173.4085 28 L 4.3540 7.6395 119.7565 54.1112 42.1832 177.3758 29 R 4.1967 8.6159 122.8024 58.3621 31.1288 176.5005 30 R 4.5377 7.5038 114.1563 54.4305 34.0777 173.9129 31 I 3.7873 8.3546 112.7066 62.8920 37.2774 175.9147 32 G 3.8039 8.9006 113.8906 46.8731 0.0000 174.6775 33 H 4.1774 7.8611 119.3835 58.0460 30.3019 171.4947 34 T 4.2607 9.1410 121.6862 63.6566 68.4380 171.5327 35 V 4.4206 7.7507 123.2829 60.8737 35.0295 172.0709 36 E 5.1555 8.6215 120.7006 54.8414 31.3061 175.8300 37 R 4.7926 8.4017 122.1542 54.0118 34.6776 174.8643 38 E 4.4771 8.6832 120.3727 55.6781 30.3485 176.8461 39 D 4.5992 8.1083 122.1279 54.0682 41.0346 176.4954 40 T 4.1759 7.4120 114.6256 61.0999 68.7851 173.1154 41 P 4.3264 0.0000 0.0000 64.9270 30.6959 178.9548 42 A 3.9649 8.1632 120.7621 55.2048 18.3832 179.6850 43 I 3.7773 7.6308 111.1682 63.9563 37.9743 177.8450 44 R 4.0465 8.2335 120.6462 59.3622 29.5080 178.7245 45 G 3.6140 7.9030 104.7410 47.7696 0.0000 175.4698 46 M 4.2131 7.6502 119.9461 58.3618 31.5706 178.6288 47 I 3.6220 8.0935 120.3737 64.5893 37.2720 177.9090 48 N 4.3060 8.2022 117.4195 56.6631 38.6082 176.7030 49 A 4.2274 7.7932 120.5655 53.8050 18.7536 178.4070 50 V 3.8308 6.9391 108.9311 60.9634 32.0952 177.8062 51 S 4.0457 7.9230 118.6779 61.5332 62.6088 176.6261 52 F 4.4717 7.6925 113.9286 58.4732 37.8149 174.6583 53 M 4.9850 7.4130 119.7954 54.4356 31.1782 175.7417 54 V 4.6833 7.5827 110.3883 61.1367 36.6172 173.9148 55 K 4.6846 9.0158 126.2811 54.4411 34.7573 174.9065 56 V 4.7742 8.3934 126.3807 60.0144 33.7074 174.4370 57 E 4.6183 8.9352 125.3372 54.4608 31.6949 176.3601 58 E 4.2381 8.6909 122.7431 56.4752 29.9357 175.7973 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 A 8.26 4.31 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.85 4.04 0.00 1.76 1.81 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.54 7.81 3 T 7.97 3.89 4.23 0.00 0.00 0.00 0.00 0.00 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 4 I 7.54 4.22 1.86 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 1.33 1.03 0.96 0.00 0.00 5 K 8.61 4.63 0.00 1.82 1.68 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.45 7.81 6 I 8.93 5.17 1.84 0.00 0.00 0.83 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 1.11 0.87 0.00 0.00 7 T 8.46 4.65 4.22 0.00 0.00 0.00 0.00 0.00 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 8 Q 8.91 3.80 0.00 2.36 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 5.90 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 9 T 8.50 3.54 4.38 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 1.23 0.00 0.00 10 R 8.31 4.38 0.00 1.75 1.79 0.00 3.52 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 11 S 8.89 4.21 0.00 3.88 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.28 4.77 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 13 I 6.95 3.92 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.10 0.92 0.00 0.00 14 G 7.87 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.27 4.06 0.00 2.09 2.08 0.00 3.34 0.00 0.00 3.44 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 16 L 8.50 4.13 0.00 1.49 1.56 0.85 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.34 0.00 2.16 2.09 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 18 K 7.97 4.01 0.00 1.77 1.87 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.52 7.81 19 H 8.23 4.25 0.00 3.48 3.45 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.95 3.87 0.00 1.94 1.89 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.14 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.50 1.53 7.81 21 A 8.36 3.88 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 22 T 8.36 3.84 4.47 0.00 0.00 0.00 0.00 0.00 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 23 L 8.41 3.94 0.00 1.80 1.74 0.87 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.73 4.00 0.00 1.67 1.87 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.94 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.32 4.27 0.00 1.81 1.72 0.88 0.90 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 27 G 8.66 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 0.00 0.00 0.00 28 L 7.64 4.35 0.00 1.65 1.64 0.89 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.62 4.20 0.00 1.42 1.84 0.00 3.32 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.39 0.00 30 R 7.50 4.54 0.00 1.81 1.77 0.00 3.13 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 31 I 8.35 3.79 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.53 0.95 0.00 0.00 32 G 8.90 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.86 4.18 0.00 3.23 3.31 0.00 6.03 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 9.14 4.26 4.19 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 0.00 0.00 0.00 1.20 0.00 0.00 35 V 7.75 4.42 1.95 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 0.76 0.00 0.00 0.90 0.00 0.00 36 E 8.62 5.16 0.00 1.83 1.88 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 2.19 2.28 0.00 37 R 8.40 4.79 0.00 1.70 1.75 0.00 3.15 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 38 E 8.68 4.48 0.00 1.83 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 39 D 8.11 4.60 0.00 2.61 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.41 4.18 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 1.31 0.00 0.00 41 P 0.00 4.33 0.00 2.19 2.09 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 42 A 8.16 3.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.63 3.78 1.86 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 1.76 1.15 0.98 0.00 0.00 44 R 8.23 4.05 0.00 2.04 2.14 0.00 3.13 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 45 G 7.90 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 M 7.65 4.21 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 47 I 8.09 3.62 2.01 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 1.37 1.33 0.87 0.00 0.00 48 N 8.20 4.31 0.00 2.84 2.98 0.00 0.00 7.12 7.90 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 49 A 7.79 4.23 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 50 V 6.94 3.83 1.62 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 0.61 0.00 0.00 0.87 0.00 0.00 51 S 7.92 4.05 0.00 3.99 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 7.69 4.47 0.00 3.17 3.27 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 53 M 7.41 4.99 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.37 0.00 54 V 7.58 4.68 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.87 0.00 0.00 55 K 9.02 4.68 0.00 1.79 1.61 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.33 7.81 56 V 8.39 4.77 2.05 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 0.78 0.00 0.00 0.96 0.00 0.00 57 E 8.94 4.62 0.00 1.93 1.88 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 2.23 2.25 0.00 58 E 8.69 4.24 0.00 1.92 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00