NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.1758 8.3101 121.7898 54.6611 34.5091 176.0319 20 A 4.2280 7.4629 128.5200 48.9434 18.3537 172.1469 21 K 3.8078 8.4378 119.2636 56.2287 33.4756 176.1018 22 V 3.5305 8.6317 125.1408 65.7692 31.5081 178.1315 23 K 4.2016 7.6825 118.2915 58.7369 32.3965 177.6693 24 A 4.2170 8.4306 122.4537 55.0847 18.6477 179.9294 25 T 4.0417 7.2404 107.4194 63.9220 67.8763 173.4890 26 L 4.3824 8.5801 121.5544 54.0612 46.2755 174.9676 27 G 4.3376 7.9498 108.9961 44.0850 0.0000 172.3545 28 E 4.1075 8.8984 120.5563 57.0377 29.7334 176.4311 29 F 4.9949 8.5164 117.5593 55.1194 41.0084 173.2449 30 D 4.4734 8.6347 122.3787 53.4995 41.8392 176.3985 31 L 4.8876 8.0073 127.4389 55.6396 41.0041 177.2613 32 R 4.3635 8.6621 119.5809 58.2774 31.3900 174.4540 33 D 4.2930 8.1455 117.6325 54.1618 39.2272 175.6787 34 Y 4.0474 8.0956 121.6968 58.1658 38.2496 177.5436 35 R 4.3528 7.8345 119.9561 57.9868 31.7051 177.4871 36 N 4.7249 7.3401 116.9012 51.8054 34.8635 175.4157 37 V 3.5526 7.9580 119.1878 65.5333 31.7965 177.3120 38 E 3.9182 8.2042 116.7513 59.6750 29.4540 179.5140 39 V 3.5325 7.9107 117.8312 65.8913 31.7101 177.7002 40 L 4.0483 7.3444 115.8729 58.3913 41.3892 179.8450 41 K 4.0258 9.6568 117.4594 58.8968 32.2273 175.9492 42 R 4.4495 7.1634 118.4952 56.5007 29.0772 175.7540 43 F 5.4166 8.1440 112.1226 55.8118 39.9578 176.1508 44 L 4.4978 8.4291 121.0295 55.3825 43.4563 178.8414 45 S 3.1947 7.2091 115.8977 56.9387 66.0474 173.1590 46 E 5.2141 7.3956 131.2072 55.9461 31.9230 177.6622 47 T 4.5922 7.3658 114.2430 62.3393 68.7223 175.3873 48 G 3.9803 8.3961 111.8221 45.3293 0.0000 173.6897 49 K 3.7186 7.5824 119.1820 56.7036 31.9876 174.1321 50 I 4.1102 8.6715 126.8799 60.9238 36.5129 174.6291 51 L 3.7601 7.6953 122.3543 52.1451 42.7057 175.6142 52 P 4.5906 0.0000 0.0000 61.7734 32.3403 177.1493 53 R 3.8539 8.7197 119.7418 59.9597 30.1016 179.2438 54 R 4.1675 7.9055 111.7820 56.7862 29.5357 176.0122 55 R 4.7577 9.4783 120.4551 57.7272 37.7400 177.5571 56 T 3.8604 7.9503 108.1722 62.7481 68.6239 175.5364 57 G 4.0438 7.7373 108.1038 46.0339 0.0000 174.7452 58 L 4.4420 7.7919 120.2405 54.0167 43.0532 176.0195 59 S 4.7038 8.0671 111.8071 57.3865 66.5184 175.0451 60 A 3.1278 7.9180 116.4404 53.3658 19.7287 178.5491 61 K 3.9482 9.1076 118.4296 58.7528 33.2186 178.0036 62 E 3.8628 8.3001 117.5244 59.6782 29.3253 178.9943 63 Q 3.9049 8.9485 120.1683 59.4021 28.8754 178.2332 64 R 4.1519 8.0399 119.8118 57.8569 30.1563 178.2005 65 I 3.6188 7.5570 112.0592 64.6711 37.4933 177.0072 66 L 3.8413 7.6363 121.5980 58.0666 41.6801 178.6296 67 A 3.9237 7.6538 119.3899 55.3384 18.3305 179.2060 68 K 3.7518 8.2936 118.4994 59.8980 31.4185 178.7070 69 T 4.0276 8.2381 109.5738 64.7893 68.5001 176.7104 70 I 3.6863 8.0527 123.8613 64.1430 37.1697 177.6421 71 K 3.6954 8.4421 118.8617 59.9630 32.0528 178.9832 72 R 3.8208 7.8472 117.3433 59.5464 29.9347 178.9681 73 A 4.0343 9.0104 118.9847 55.3136 18.4931 179.3562 74 R 4.1249 8.8380 116.9112 58.5824 30.2054 179.1737 75 I 4.0955 7.4601 119.3458 64.3238 37.4644 178.0573 76 L 4.2534 7.7354 116.6097 55.1905 41.0330 179.4051 77 G 4.1138 8.1071 106.9183 45.8837 0.0000 175.1218 78 L 4.0974 7.7128 119.2157 57.1056 42.1641 177.5256 79 L 4.7711 7.5774 116.8410 52.0336 44.2685 173.8320 80 P 4.8834 0.0000 0.0000 62.1762 32.6869 176.1528 81 F 4.2170 8.7923 118.5278 60.2002 39.4415 175.2822 82 T 4.7183 7.0622 112.0725 61.4407 69.9300 171.6705 83 E 4.8366 8.1758 116.2823 55.2794 31.2872 176.2140 84 K 4.0644 8.7750 121.9263 56.4524 32.8094 176.3260 85 L 4.2712 8.1782 122.4982 54.5773 42.9115 176.0794 86 V 4.1129 8.0723 123.2681 61.7556 33.2977 172.9081 87 R 3.5340 8.6013 130.1484 56.3370 29.1508 175.4984 88 K 4.1495 8.5329 124.5062 56.5105 32.2179 176.0156 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 19 K 8.31 4.18 0.00 1.72 1.76 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.51 7.81 20 A 7.46 4.23 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 21 K 8.44 3.81 0.00 1.81 1.86 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.42 7.81 22 V 8.63 3.53 2.26 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 1.21 0.00 0.00 1.04 0.00 0.00 23 K 7.68 4.20 0.00 2.09 1.88 0.00 2.04 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.55 7.81 24 A 8.43 4.22 1.36 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 0.00 0.00 0.00 25 T 7.24 4.04 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 1.12 0.00 0.00 26 L 8.58 4.38 0.00 1.07 1.11 0.05 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.95 4.34 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 0.00 28 E 8.90 4.11 0.00 2.02 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 2.36 2.37 0.00 29 F 8.52 4.99 0.00 3.13 2.97 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 30 D 8.63 4.47 0.00 2.62 2.58 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 31 L 8.01 4.89 0.00 1.77 1.30 0.82 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.66 4.36 0.00 1.65 2.09 0.00 3.35 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 33 D 8.15 4.29 0.00 2.66 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.10 4.05 0.00 3.10 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 35 R 7.83 4.35 0.00 1.70 1.92 0.00 3.13 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.28 0.00 36 N 7.34 4.72 0.00 3.11 2.96 0.00 0.00 6.95 7.55 0.00 0.00 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 7.96 3.55 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 0.95 0.00 0.00 0.92 0.00 0.00 38 E 8.20 3.92 0.00 1.89 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 0.00 2.30 2.32 0.00 39 V 7.91 3.53 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 1.00 0.00 0.00 0.94 0.00 0.00 40 L 7.34 4.05 0.00 1.95 1.81 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.66 4.03 0.00 1.84 1.79 0.00 1.66 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.52 7.81 42 R 7.16 4.45 0.00 1.48 1.41 0.00 3.07 0.00 0.00 3.11 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 43 F 8.14 5.42 0.00 3.30 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 44 L 8.43 4.50 0.00 1.60 1.61 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.21 3.19 0.00 4.02 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 46 E 7.40 5.21 0.00 1.94 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 2.04 2.07 0.00 47 T 7.37 4.59 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 1.33 0.00 0.00 48 G 8.40 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.58 3.72 0.00 1.80 1.84 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.47 7.81 50 I 8.67 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 1.42 0.73 0.89 0.00 0.00 51 L 7.70 3.76 0.00 1.71 1.60 1.05 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.59 0.00 2.21 2.16 0.00 3.74 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 2.05 1.98 0.00 53 R 8.72 3.85 0.00 1.87 2.05 0.00 3.11 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 54 R 7.91 4.17 0.00 1.80 1.96 0.00 3.24 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 1.64 1.66 0.00 55 R 9.48 4.76 0.00 1.91 1.91 0.00 3.32 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 56 T 7.95 3.86 4.03 0.00 0.00 0.00 0.00 0.00 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 57 G 7.74 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.79 4.44 0.00 1.57 1.63 0.68 1.13 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 59 S 8.07 4.70 0.00 3.96 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 60 A 7.92 3.13 1.20 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 0.00 0.00 61 K 9.11 3.95 0.00 1.78 1.84 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.49 7.81 62 E 8.30 3.86 0.00 2.24 1.96 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 2.37 2.36 0.00 63 Q 8.95 3.90 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 64 R 8.04 4.15 0.00 2.10 1.85 0.00 3.21 0.00 0.00 3.21 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 65 I 7.56 3.62 2.06 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.68 0.89 0.00 0.00 66 L 7.64 3.84 0.00 1.62 1.76 0.88 0.53 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 67 A 7.65 3.92 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 68 K 8.29 3.75 0.00 1.85 1.96 0.00 1.51 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.52 7.81 69 T 8.24 4.03 4.39 0.00 0.00 0.00 0.00 0.00 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 70 I 8.05 3.69 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.12 0.91 0.00 0.00 71 K 8.44 3.70 0.00 1.94 1.86 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.69 7.81 72 R 7.85 3.82 0.00 1.92 1.85 0.00 3.08 0.00 0.00 2.87 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.91 0.00 73 A 9.01 4.03 1.42 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 0.00 0.00 0.00 74 R 8.84 4.12 0.00 1.62 0.74 0.00 2.90 0.00 0.00 2.58 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.28 0.00 75 I 7.46 4.10 2.10 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.89 0.94 0.00 0.00 76 L 7.74 4.25 0.00 1.87 1.74 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.11 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.71 4.10 0.00 1.72 1.79 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.58 4.77 0.00 1.58 1.46 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.88 0.00 2.36 2.06 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 81 F 8.79 4.22 0.00 3.07 3.16 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 0.00 0.00 0.00 0.00 82 T 7.06 4.72 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 1.28 0.00 0.00 83 E 8.18 4.84 0.00 2.15 2.01 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 2.15 2.31 0.00 84 K 8.78 4.06 0.00 1.78 1.81 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.39 7.81 85 L 8.18 4.27 0.00 1.59 1.56 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.07 4.11 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 0.86 0.00 0.00 0.94 0.00 0.00 87 R 8.60 3.53 0.00 1.95 1.91 0.00 3.28 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 88 K 8.53 4.15 0.00 1.75 1.66 0.00 1.88 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.36 7.81