NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3854 8.2493 123.5822 52.0480 19.8797 176.0543 2 V 4.3237 8.2071 121.2938 57.9413 34.1625 172.1356 3 Q 3.9584 9.2528 121.0648 56.8178 29.7980 178.3834 4 Q 4.3635 8.5793 117.7778 56.7203 29.9913 175.8926 5 N 5.0468 7.6955 113.2830 50.4640 41.8765 174.0271 6 K 3.9303 8.6039 122.8824 56.2609 32.7506 174.9266 7 P 4.5692 0.0000 0.0000 62.0680 32.4378 176.7587 8 T 4.2111 8.1488 111.2572 61.3888 71.0948 175.9056 9 R 3.9104 8.5275 119.8375 59.4189 29.2751 178.7954 10 S 4.0362 8.1101 113.3896 61.4417 62.3047 176.1355 11 K 3.9251 8.1461 122.0946 59.1369 31.8820 178.4955 12 R 3.9502 8.1926 119.4253 59.4424 29.7618 178.3056 13 G 3.8257 7.6730 103.7731 48.3171 0.0000 174.8365 14 M 4.1659 8.2548 121.6583 58.1272 31.8317 178.5397 15 R 3.9379 8.0281 117.5784 59.8564 30.4706 177.8904 16 R 4.4804 8.1991 116.4375 56.1663 29.8344 178.3981 17 S 4.1618 8.1924 115.4356 61.2619 62.9067 174.9823 18 H 4.7427 7.9500 115.0568 55.7091 28.4179 175.0512 19 D 4.5715 8.4670 119.6290 54.8274 40.8357 176.2638 20 A 4.2274 7.5918 122.5892 51.6487 19.1488 177.5658 21 L 4.3777 8.1923 120.8665 54.5553 42.8113 176.3717 22 T 4.5288 8.0104 116.1239 61.4111 70.3671 174.9158 23 A 4.1194 8.3808 128.8911 52.1130 18.9559 177.3218 24 V 3.6140 8.0294 121.1169 64.2870 32.2338 178.5274 25 T 3.6605 7.8560 112.3900 62.5169 68.8283 172.2820 26 S 4.6334 8.0742 117.3391 58.4742 63.0289 173.1919 27 L 4.9786 7.7024 119.8402 54.2337 43.2518 174.8879 28 S 4.6900 8.4836 113.7375 57.1557 67.0794 172.3400 29 V 4.8257 8.1430 118.4939 61.0468 33.5984 174.6151 30 D 4.6389 8.8912 126.2047 53.1877 41.8822 177.5040 31 K 3.7918 8.7407 125.6155 59.9953 32.3531 177.9446 32 T 4.1409 7.8398 115.8400 64.1084 69.0285 174.1826 33 S 4.4044 7.1746 113.8416 55.4720 65.4557 173.2045 34 G 3.2273 8.0917 108.9457 44.9723 0.0000 173.9910 35 E 3.4628 8.0289 118.9423 56.3000 26.7490 175.4649 36 K 5.4993 8.4674 124.5412 55.4511 33.8204 175.7363 37 H 4.5727 7.9342 114.4294 55.0468 31.1162 173.5559 38 L 4.4402 8.0976 119.9324 54.3212 42.6418 176.6624 39 R 3.9146 7.9706 123.3332 58.6523 30.3476 175.7580 40 H 5.0896 9.1618 118.9512 56.8180 26.1926 173.9530 41 H 4.8213 8.5007 116.1309 53.4059 31.3803 173.7460 42 I 3.8581 8.1657 123.9940 62.1463 37.7317 175.7280 43 T 4.4267 8.8259 113.8768 60.2153 70.3544 175.7014 44 A 4.0075 8.7819 124.6549 55.8300 18.1272 178.9211 45 D 4.5241 8.8718 112.6516 55.3950 41.2396 176.8719 46 G 3.8249 8.5220 108.1519 46.4124 0.0000 172.7549 47 Y 4.8343 8.1009 115.5149 56.3326 40.8325 175.7186 48 Y 4.7852 8.5402 123.1660 57.7012 40.7897 174.9666 49 R 3.4368 8.7105 128.5426 57.1242 26.6632 177.2350 50 G 3.7893 9.2847 107.9729 45.7492 0.0000 168.1986 51 R 3.9066 8.4897 126.4515 55.7334 30.9509 176.1393 52 K 3.7977 8.3780 127.0854 54.9837 30.6448 176.1679 53 V 3.7203 7.6454 118.2069 60.2433 32.7967 176.2250 54 I 2.9448 8.3372 114.3586 62.4834 33.9799 175.1084 55 A 3.9029 8.5425 129.3030 54.2732 18.6060 177.2576 56 K 4.1710 7.3351 119.0556 56.6010 32.2615 176.2457 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 8.21 4.32 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 0.70 0.00 0.00 0.93 0.00 0.00 3 Q 9.25 3.96 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 4 Q 8.58 4.36 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 5 N 7.70 5.05 0.00 2.64 2.67 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 8.60 3.93 0.00 1.71 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.47 7.81 7 P 0.00 4.57 0.00 2.08 1.96 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 8 T 8.15 4.21 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 8.53 3.91 0.00 2.02 2.24 0.00 3.14 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 10 S 8.11 4.04 0.00 3.90 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 11 K 8.15 3.93 0.00 1.91 1.88 0.00 1.59 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.49 7.81 12 R 8.19 3.95 0.00 1.92 2.17 0.00 3.17 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 13 G 7.67 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 M 8.25 4.17 0.00 2.05 2.22 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 2.73 2.57 0.00 15 R 8.03 3.94 0.00 1.84 2.26 0.00 3.26 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 16 R 8.20 4.48 0.00 2.05 1.93 0.00 3.20 0.00 0.00 3.32 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 17 S 8.19 4.16 0.00 3.84 4.20 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 4.74 0.00 3.17 3.36 0.00 5.70 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.47 4.57 0.00 2.94 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 20 A 7.59 4.23 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 4.38 0.00 1.65 1.62 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.01 4.53 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 8.38 4.12 1.24 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 0.00 0.00 0.00 24 V 8.03 3.61 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 1.07 0.00 0.00 0.93 0.00 0.00 25 T 7.86 3.66 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 26 S 8.07 4.63 0.00 3.91 3.90 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 27 L 7.70 4.98 0.00 1.71 1.60 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.48 4.69 0.00 3.77 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 8.14 4.83 2.06 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 0.90 0.00 0.00 0.91 0.00 0.00 30 D 8.89 4.64 0.00 2.78 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.74 3.79 0.00 1.87 1.91 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.44 7.81 32 T 7.84 4.14 4.28 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 1.13 0.00 0.00 33 S 7.17 4.40 0.00 3.45 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 3.23 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 0.00 35 E 8.03 3.46 0.00 2.08 2.13 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 2.32 2.29 0.00 36 K 8.47 5.50 0.00 1.65 1.75 0.00 1.85 0.00 0.00 2.41 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.28 7.81 37 H 7.93 4.57 0.00 3.29 3.43 0.00 5.65 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.10 4.44 0.00 1.53 1.57 0.64 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.97 3.91 0.00 1.85 1.90 0.00 3.34 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.49 0.00 40 H 9.16 5.09 0.00 3.50 3.50 0.00 5.76 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.50 4.82 0.00 3.41 3.24 0.00 5.89 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.17 3.86 1.82 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.66 0.91 0.00 0.00 43 T 8.83 4.43 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 1.35 0.00 0.00 44 A 8.78 4.01 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 45 D 8.87 4.52 0.00 3.05 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 46 G 8.52 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 0.00 0.00 0.00 47 Y 8.10 4.83 0.00 3.12 2.99 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 48 Y 8.54 4.79 0.00 2.90 2.82 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 49 R 8.71 3.44 0.00 1.78 1.81 0.00 2.94 0.00 0.00 2.96 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.50 0.00 50 G 9.28 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 3.91 0.00 2.07 1.99 0.00 3.20 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 52 K 8.38 3.80 0.00 1.56 1.63 0.00 1.01 0.00 0.00 0.61 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.17 1.27 7.81 53 V 7.65 3.72 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 0.79 0.00 0.00 0.99 0.00 0.00 54 I 8.34 2.94 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.98 0.89 0.00 0.00 55 A 8.54 3.90 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 7.34 4.17 0.00 1.62 1.70 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.34 7.81