NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2785 8.2493 123.5802 51.7381 20.1610 178.2249 3 K 4.1287 7.9412 120.4342 57.9877 29.5567 174.7407 4 H 3.9120 7.8271 124.0073 56.4836 30.1353 174.5795 5 P 4.7115 0.0000 0.0000 61.2979 32.7198 175.3684 6 V 4.2576 7.5634 123.3534 61.3013 33.5048 173.1264 7 P 3.8700 0.0000 0.0000 60.2840 32.8256 175.7890 8 K 4.4023 9.4072 120.4672 53.2140 32.2687 174.9290 9 K 4.9263 7.8940 120.1348 53.7372 33.3965 174.9398 10 K 4.3123 7.8847 122.8582 56.3278 33.5418 175.5566 11 T 4.5336 8.0022 115.1501 61.6864 70.8231 175.1194 12 S 4.1504 8.9697 119.4153 58.0630 60.7370 177.5513 13 K 4.2826 7.3058 124.2784 55.4623 34.4050 176.8154 14 S 3.6534 8.2812 109.2604 61.9426 63.3620 176.4704 15 K 4.0059 6.6766 120.3632 60.1653 32.7567 178.6862 16 R 3.6404 7.5567 116.0448 58.9629 30.2083 177.9136 17 D 4.3752 8.6343 118.7256 58.0176 41.2007 178.8972 18 M 3.9277 8.4372 119.1419 58.8389 31.8001 178.4041 19 R 3.7842 8.0121 115.9233 60.0026 30.1753 177.2854 20 R 3.7886 8.0473 118.0337 59.9448 30.2987 177.9075 21 S 4.0093 8.4095 112.9597 62.3043 62.4709 176.3273 22 H 4.3735 8.3103 123.4112 57.7654 30.1417 174.4933 23 H 4.1969 8.4626 116.7976 55.8780 27.3792 173.8291 24 A 4.7444 8.1211 126.9600 49.7425 20.9930 176.1305 25 L 4.1841 8.4193 123.6510 54.8397 42.3678 177.5430 26 T 4.3430 8.1258 112.2366 59.5348 69.4792 172.8374 27 A 3.8857 8.5901 129.8129 51.8304 19.0870 175.3580 28 P 4.1975 0.0000 0.0000 63.9034 31.3145 177.4311 29 N 3.8830 9.2703 120.9220 55.4058 38.9055 176.5428 30 L 3.4956 7.5040 112.5877 55.2044 41.4446 173.7920 31 T 4.7700 8.3957 118.1493 60.3569 71.2570 173.0202 32 E 4.5028 8.9435 125.2971 56.6605 30.4963 176.3237 33 C 3.8168 8.2993 119.3529 58.3716 29.2488 171.5143 34 P 4.5704 0.0000 0.0000 64.8785 32.0871 175.6421 35 Q 4.4736 7.3392 116.4364 56.2513 32.2921 174.7280 36 C 4.2441 8.3552 113.5823 57.9987 40.1229 174.2886 37 H 3.8551 7.6104 110.8723 56.9266 25.1866 173.5140 38 G 4.0149 7.4910 112.7113 45.8152 0.0000 169.6185 39 K 4.9195 8.6698 118.9862 55.3026 33.6718 176.6295 40 K 4.6497 8.9421 121.6764 54.4446 37.7022 175.9062 41 L 4.4476 9.0462 121.3380 55.5100 41.4529 176.0949 42 S 3.9191 7.7362 116.1887 58.1511 63.4544 174.5056 43 H 4.5230 9.7906 121.7618 55.8489 26.2056 174.4325 44 H 5.5989 8.1866 114.7487 52.4741 32.5688 173.1691 45 I 3.6052 8.3036 116.3014 61.9072 37.8371 174.0988 46 C 4.6516 7.8706 116.2184 58.5477 32.1437 172.7872 47 P 4.6919 0.0000 0.0000 61.3431 29.0554 173.9400 48 N 4.6376 7.5830 122.4654 54.9846 45.7800 175.8874 49 C 4.7430 8.8241 119.7975 57.4275 42.0141 174.8474 50 G 4.9628 8.4323 122.4452 48.3477 0.0000 172.9694 51 Y 5.3421 7.2276 122.6043 58.1384 36.8743 174.9760 52 Y 4.2001 9.2125 125.3077 58.5058 34.1967 170.6371 53 D 4.8384 7.4004 121.6580 54.1155 44.3078 176.6330 54 G 4.0451 7.1528 108.3519 43.6633 0.0000 173.3166 55 R 4.5622 8.2580 123.0862 55.3784 28.8019 176.8336 56 Q 4.5307 9.5780 116.6009 53.6752 30.8118 177.0564 57 V 4.3902 7.3881 121.1980 63.1332 35.8246 168.5773 58 L 4.1968 6.9268 119.9250 55.8481 44.8732 175.2741 59 A 4.1001 8.5623 125.3680 54.2925 19.0421 176.3650 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 2 A 8.25 4.28 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 7.94 4.13 0.00 1.95 1.88 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.46 7.81 4 H 7.83 3.91 0.00 3.14 3.25 0.00 5.87 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.71 0.00 2.17 2.08 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 6 V 7.56 4.26 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 0.89 0.00 0.00 0.93 0.00 0.00 7 P 0.00 3.87 0.00 2.25 2.09 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 8 K 9.41 4.40 0.00 1.72 1.76 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.32 1.36 7.81 9 K 7.89 4.93 0.00 1.84 1.90 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.23 1.15 7.81 10 K 7.88 4.31 0.00 1.69 1.75 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.52 7.81 11 T 8.00 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 12 S 8.97 4.15 0.00 3.85 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.31 4.28 0.00 1.87 1.81 0.00 1.83 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.48 7.81 14 S 8.28 3.65 0.00 4.05 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.68 4.01 0.00 1.94 1.92 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.53 7.81 16 R 7.56 3.64 0.00 2.08 1.89 0.00 3.14 0.00 0.00 3.33 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 17 D 8.63 4.38 0.00 2.93 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.44 3.93 0.00 1.95 2.13 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 3.00 0.00 19 R 8.01 3.78 0.00 1.76 2.26 0.00 3.25 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 20 R 8.05 3.79 0.00 1.83 2.03 0.00 3.33 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 21 S 8.41 4.01 0.00 4.07 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.31 4.37 0.00 3.26 3.42 0.00 5.78 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.46 4.20 0.00 3.31 3.31 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.12 4.74 1.22 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 0.00 0.00 0.00 25 L 8.42 4.18 0.00 1.66 1.61 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.13 4.34 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 1.24 0.00 0.00 27 A 8.59 3.89 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 28 P 0.00 4.20 0.00 2.22 2.24 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 2.08 2.02 0.00 29 N 9.27 3.88 0.00 2.76 2.94 0.00 0.00 7.37 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.50 3.50 0.00 1.74 1.96 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.40 4.77 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 32 E 8.94 4.50 0.00 1.88 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 33 C 8.30 3.82 0.00 2.91 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 34 P 0.00 4.57 0.00 2.18 2.07 0.00 3.81 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.84 0.00 35 Q 7.34 4.47 0.00 2.01 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 7.10 0.00 0.00 0.00 0.00 0.00 1.97 2.29 0.00 36 C 8.36 4.24 0.00 2.91 3.13 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 37 H 7.61 3.86 0.00 3.13 3.44 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.49 4.01 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 0.00 0.00 0.00 39 K 8.67 4.92 0.00 1.64 1.73 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.45 7.81 40 K 8.94 4.65 0.00 1.59 1.61 0.00 1.58 0.00 0.00 1.73 0.00 0.00 2.77 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.37 7.81 41 L 9.05 4.45 0.00 1.62 1.65 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 42 S 7.74 3.92 0.00 4.11 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 43 H 9.79 4.52 0.00 3.48 3.86 0.00 5.84 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.19 5.60 0.00 3.15 3.29 0.00 5.85 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.30 3.61 1.99 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.23 1.26 0.00 0.00 46 C 7.87 4.65 0.00 2.93 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 47 P 0.00 4.69 0.00 2.18 2.10 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 48 N 7.58 4.64 0.00 2.63 2.78 0.00 0.00 7.20 7.66 0.00 0.00 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 C 8.82 4.74 0.00 2.97 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 50 G 8.43 4.96 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 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.23 5.34 0.00 2.87 2.62 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 0.00 0.00 0.00 0.00 52 Y 9.21 4.20 0.00 3.14 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.40 4.84 0.00 2.64 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.15 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.26 4.56 0.00 1.74 1.93 0.00 3.23 0.00 0.00 3.31 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.69 0.00 56 Q 9.58 4.53 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.05 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 57 V 7.39 4.39 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 0.80 0.00 0.00 1.02 0.00 0.00 58 L 6.93 4.20 0.00 1.65 1.47 0.93 0.71 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 59 A 8.56 4.10 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