NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3862 8.2493 123.5822 52.0604 19.8974 176.0419 2 V 4.3356 8.1641 121.2473 57.8026 34.2280 172.3222 3 Q 3.8882 9.3891 120.3344 57.0718 29.6331 178.6440 4 Q 4.2271 8.7066 119.7249 57.4938 29.5283 175.9257 5 N 5.0508 7.6435 112.7477 50.4838 41.7471 174.0474 6 K 4.1337 8.5352 122.5322 56.0264 32.6821 175.1323 7 P 4.4851 0.0000 0.0000 62.2852 32.1894 176.3712 8 T 4.1767 8.2066 111.3064 61.1138 69.3527 175.8138 9 R 3.9116 8.5635 120.2078 59.4253 29.1537 178.8490 10 S 4.1373 7.7674 113.0028 60.8486 62.2972 175.8236 11 K 3.9877 8.3256 123.0482 59.2084 31.9424 178.1034 12 R 3.9083 8.2735 118.4305 59.6051 29.5332 177.9749 13 G 3.9665 7.6882 104.7316 48.4926 0.0000 174.8701 14 M 4.1991 7.9286 121.5264 57.9497 31.7506 178.8847 15 R 3.9631 8.2058 118.1801 59.1949 30.4738 177.8681 16 R 4.4665 7.9055 115.9708 56.4131 30.0570 178.1816 17 S 3.9760 7.7939 115.3757 60.9029 63.0268 174.6128 18 H 4.7961 7.8465 117.1524 55.5942 29.4521 175.1926 19 D 4.5589 8.7094 119.5256 55.4705 40.7004 176.3759 20 A 4.3562 7.4466 122.4854 51.1988 19.4797 177.5149 21 L 4.3637 8.1925 120.9036 54.6100 42.7803 176.3861 22 T 4.5022 8.0374 116.2527 61.7051 70.1904 175.0665 23 A 4.2395 8.2757 128.4342 51.8555 19.5801 177.9215 24 V 3.6019 8.3894 120.2488 66.1461 31.8850 179.5486 25 T 3.4945 7.8812 107.0051 62.4784 69.1364 172.0763 26 S 4.7815 7.9382 115.8725 57.8668 63.3302 173.7634 27 L 4.7805 7.7942 118.6655 55.2150 42.1474 175.3778 28 S 4.6895 8.3996 113.2053 56.9923 66.9679 172.9505 29 V 4.5498 8.1721 120.0115 61.6484 31.9917 174.9030 30 D 4.6052 9.0568 127.0942 53.4401 41.8877 177.0549 31 K 3.9490 8.9236 126.1693 60.3404 32.8288 177.9955 32 T 4.0746 7.6186 113.1249 64.2681 68.9077 174.6735 33 S 4.8509 8.3807 114.3190 55.1740 66.7071 174.6685 34 G 3.3963 8.9438 108.5740 46.4879 0.0000 173.2728 35 E 3.5241 9.2821 129.7483 56.2917 27.7545 174.7944 36 K 5.0852 8.5780 121.8294 55.0373 33.5591 176.1561 37 H 4.5373 7.7356 113.8922 55.2621 30.1182 174.0267 38 L 4.2665 7.6949 120.8986 54.1149 42.2217 176.7379 39 R 4.0124 7.6279 120.7107 58.6869 30.2418 175.9989 40 H 4.7266 9.0451 119.2529 56.8113 26.1347 174.0183 41 H 4.7044 7.9461 115.2127 53.3191 31.6196 174.0248 42 I 3.7879 7.9392 123.4057 61.8421 37.6321 176.2967 43 T 4.3161 8.9236 114.8597 60.6161 69.8574 175.4904 44 A 3.9031 8.7130 125.6928 55.5716 18.3232 178.6228 45 D 4.5554 8.4862 113.3633 54.9043 41.6663 177.2405 46 G 4.0624 8.9418 109.7525 45.7383 0.0000 173.0784 47 Y 4.6913 8.1904 116.8474 56.8679 39.7640 175.1824 48 Y 4.9588 8.8902 122.7418 58.1740 40.4721 174.5764 49 R 3.9814 8.9736 128.9810 57.0041 27.3859 177.5896 50 G 3.9094 8.6782 108.7841 45.6557 0.0000 172.8065 51 R 3.6116 8.8944 121.4460 56.6737 28.0489 176.9472 52 K 3.7000 8.2646 125.8095 55.7346 30.2090 177.3648 53 V 3.6390 7.7181 117.4594 61.6318 32.6797 176.5251 54 I 2.9864 8.3333 114.2713 62.7893 33.6166 173.7542 55 A 4.0389 8.5363 129.5191 54.7796 18.4809 177.5161 56 K 4.1595 7.8334 117.8630 56.6586 32.3046 176.6587 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 8.25 4.39 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 2 V 8.16 4.34 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 0.71 0.00 0.00 0.93 0.00 0.00 3 Q 9.39 3.89 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.06 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 4 Q 8.71 4.23 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 5 N 7.64 5.05 0.00 2.64 2.68 0.00 0.00 6.83 7.61 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 6 K 8.54 4.13 0.00 1.71 1.73 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.47 7.81 7 P 0.00 4.49 0.00 2.08 1.96 0.00 3.73 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 8 T 8.21 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 1.21 0.00 0.00 9 R 8.56 3.91 0.00 2.02 2.25 0.00 3.12 0.00 0.00 3.26 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 10 S 7.77 4.14 0.00 3.95 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 11 K 8.33 3.99 0.00 1.89 1.88 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.48 7.81 12 R 8.27 3.91 0.00 1.91 2.08 0.00 3.27 0.00 0.00 3.34 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 13 G 7.69 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 14 M 7.93 4.20 0.00 2.09 2.25 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 2.88 2.54 0.00 15 R 8.21 3.96 0.00 1.92 2.17 0.00 3.26 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 16 R 7.91 4.47 0.00 2.06 1.93 0.00 3.19 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.63 0.00 17 S 7.79 3.98 0.00 3.95 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 18 H 7.85 4.80 0.00 3.19 3.33 0.00 5.62 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 19 D 8.71 4.56 0.00 2.80 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.45 4.36 1.23 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 0.00 0.00 0.00 21 L 8.19 4.36 0.00 1.65 1.62 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.04 4.50 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 23 A 8.28 4.24 1.23 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 0.00 0.00 0.00 24 V 8.39 3.60 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 0.99 0.00 0.00 0.92 0.00 0.00 25 T 7.88 3.49 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 1.26 0.00 0.00 26 S 7.94 4.78 0.00 4.06 3.82 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 0.00 0.00 0.00 27 L 7.79 4.78 0.00 1.83 1.61 0.91 0.55 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 28 S 8.40 4.69 0.00 3.88 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.17 4.55 2.09 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 0.89 0.00 0.00 0.93 0.00 0.00 30 D 9.06 4.61 0.00 2.72 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 31 K 8.92 3.95 0.00 1.88 1.94 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.47 7.81 32 T 7.62 4.07 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 33 S 8.38 4.85 0.00 3.44 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 34 G 8.94 3.40 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 0.00 35 E 9.28 3.52 0.00 2.13 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 2.29 2.25 0.00 36 K 8.58 5.09 0.00 1.76 1.76 0.00 1.87 0.00 0.00 2.41 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.39 7.81 37 H 7.74 4.54 0.00 3.38 3.42 0.00 5.65 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.69 4.27 0.00 1.58 1.54 0.68 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.63 4.01 0.00 1.94 1.87 0.00 3.36 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.38 0.00 40 H 9.05 4.73 0.00 3.40 3.42 0.00 5.94 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 7.95 4.70 0.00 3.30 3.14 0.00 5.86 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.94 3.79 1.79 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.67 0.89 0.00 0.00 43 T 8.92 4.32 4.33 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 1.32 0.00 0.00 44 A 8.71 3.90 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 45 D 8.49 4.56 0.00 3.12 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.94 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 0.00 0.00 0.00 47 Y 8.19 4.69 0.00 3.13 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.89 4.96 0.00 2.90 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.97 3.98 0.00 1.63 1.80 0.00 2.76 0.00 0.00 2.50 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.50 0.00 50 G 8.68 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.89 3.61 0.00 1.89 1.93 0.00 3.23 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 52 K 8.26 3.70 0.00 1.02 1.57 0.00 1.21 0.00 0.00 0.61 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.16 1.24 7.81 53 V 7.72 3.64 2.09 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 0.86 0.00 0.00 1.03 0.00 0.00 54 I 8.33 2.99 1.82 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 1.32 0.62 0.87 0.00 0.00 55 A 8.54 4.04 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 56 K 7.83 4.16 0.00 1.74 1.71 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.40 7.81