NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2431 8.2493 123.5817 52.3328 19.9145 175.6416 2 T 4.2519 8.2345 109.8170 59.6694 69.3396 167.8356 3 V 4.2055 8.0008 124.9054 63.3732 34.5287 176.3012 4 V 4.2427 7.3941 118.8231 60.5039 32.9162 175.6889 5 S 4.3981 8.1450 115.8766 57.5742 66.6101 175.5060 6 G 3.9109 8.6452 114.6890 45.4060 0.0000 172.2612 7 Q 4.4071 8.2836 116.9740 53.8702 31.9367 175.3148 8 K 4.3013 8.7220 122.1942 54.7848 32.9791 175.5980 9 Q 4.3359 8.5335 125.9214 54.3188 29.6503 175.0167 10 D 4.7198 8.4471 127.0970 52.4129 40.6709 176.8401 11 R 4.1455 8.3349 121.1703 55.7712 30.4236 176.0490 12 Q 4.3948 8.4332 118.6443 56.9109 31.5286 173.3570 13 G 4.0701 8.8970 110.3093 44.4899 0.0000 173.4887 14 G 4.6692 7.4405 122.0655 45.1725 0.0000 172.8500 15 E 4.6871 6.9558 124.0153 54.1784 31.0872 172.8757 16 R 4.2922 7.2190 120.3888 55.8024 33.3422 172.8012 17 R 4.5337 8.3626 120.5609 54.6857 31.8210 176.3199 18 R 4.1885 8.2474 125.6805 55.4682 29.9955 175.7840 19 S 4.1309 8.1349 114.0584 58.7752 62.4539 173.6433 20 Q 2.9974 8.5702 132.2970 55.7372 27.1339 174.2738 21 L 3.7819 7.8358 120.4285 54.9298 42.4004 175.7974 22 D 4.3817 8.4349 126.0793 54.0837 41.6333 177.0736 23 R 4.1638 8.6483 125.8306 58.4059 30.4922 175.9388 24 D 5.4204 7.9781 117.0693 55.0138 42.7663 175.1343 25 Q 4.7532 7.9309 117.5689 54.3320 32.4146 174.1741 26 C 4.5930 8.6561 119.8441 57.3518 33.7460 174.0352 27 A 4.9158 8.3587 129.2361 52.6743 19.1556 176.4105 28 Y 4.4323 7.9026 118.4255 60.1857 40.7454 175.8354 29 C 4.4022 8.3322 112.7399 58.0318 30.9628 174.4063 30 K 4.4982 8.2691 117.5106 57.7635 28.7020 175.3751 31 E 4.2766 7.9781 119.8092 55.0811 30.4864 175.0290 32 K 4.5759 9.4034 124.9311 55.0625 34.2123 174.5873 33 G 3.6030 7.7152 117.3063 45.1985 0.0000 173.4049 34 H 5.1400 7.6669 114.2015 53.1176 31.4771 173.3300 35 W 4.8147 8.5450 119.8229 55.2907 30.7645 177.5076 36 A 4.1758 8.5270 123.0684 55.4603 17.9091 179.9733 37 K 4.2369 8.2558 113.0818 58.4292 32.2413 176.8325 38 D 4.8095 8.4156 117.9206 53.5747 42.3316 174.5828 39 C 4.0273 8.0828 119.2305 58.3561 31.6242 172.2801 40 P 4.4602 0.0000 0.0000 63.6132 31.1998 176.5593 41 K 4.2841 7.6474 119.4758 57.2976 32.9347 176.7728 42 K 4.0015 7.2649 117.8670 55.7522 32.4372 174.9454 43 P 4.4997 0.0000 0.0000 62.2281 32.1299 176.2673 44 R 4.1518 8.2465 118.7385 56.5863 30.6300 175.5268 45 G 4.1596 7.8820 107.3405 43.7544 0.0000 170.6991 46 P 4.3801 0.0000 0.0000 62.6388 31.8472 176.7716 47 R 4.3955 7.9298 116.2824 55.8208 31.0892 173.3387 48 G 4.2534 8.1977 111.8201 42.1095 0.0000 169.1002 49 P 4.5161 0.0000 0.0000 62.2968 32.2643 175.8904 50 R 4.7401 8.1019 118.2973 53.7641 32.9756 174.6398 51 P 4.1491 0.0000 0.0000 64.9435 31.6606 175.7842 52 Q 3.0518 7.9420 117.8700 56.5701 26.5101 172.1637 53 T 4.2610 7.9058 116.9960 61.2613 68.4855 174.9542 54 S 4.2664 8.5257 117.9465 58.2461 63.1933 172.1583 55 L 3.5230 8.8580 133.2926 54.4139 42.7472 174.0737 56 L 3.9574 8.4476 123.0469 55.6686 42.9648 174.1461 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 4.24 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 T 8.23 4.25 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 3 V 8.00 4.21 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 0.83 0.00 0.00 0.93 0.00 0.00 4 V 7.39 4.24 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 0.88 0.00 0.00 0.93 0.00 0.00 5 S 8.15 4.40 0.00 3.82 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.65 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 7 Q 8.28 4.41 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 8 K 8.72 4.30 0.00 1.69 1.75 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.44 7.81 9 Q 8.53 4.34 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00 10 D 8.45 4.72 0.00 2.71 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 11 R 8.33 4.15 0.00 1.93 1.94 0.00 3.26 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 12 Q 8.43 4.39 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.87 0.00 0.00 0.00 0.00 0.00 2.10 2.25 0.00 13 G 8.90 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.44 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 6.96 4.69 0.00 1.88 1.80 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 2.18 2.27 0.00 16 R 7.22 4.29 0.00 1.71 1.70 0.00 3.21 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.48 0.00 17 R 8.36 4.53 0.00 1.77 1.77 0.00 3.43 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 18 R 8.25 4.19 0.00 1.89 1.86 0.00 3.20 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 19 S 8.13 4.13 0.00 3.80 3.85 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 0.00 0.00 0.00 20 Q 8.57 3.00 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 21 L 7.84 3.78 0.00 1.58 1.57 0.82 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.43 4.38 0.00 2.82 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 23 R 8.65 4.16 0.00 1.85 2.05 0.00 3.45 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.99 0.00 24 D 7.98 5.42 0.00 2.67 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.93 4.75 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.57 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 26 C 8.66 4.59 0.00 3.01 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.36 4.92 1.16 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 0.00 0.00 28 Y 7.90 4.43 0.00 2.85 2.92 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 C 8.33 4.40 0.00 3.19 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 30 K 8.27 4.50 0.00 1.89 2.14 0.00 1.75 0.00 0.00 2.26 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.32 7.81 31 E 7.98 4.28 0.00 2.08 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 32 K 9.40 4.58 0.00 1.87 1.78 0.00 1.51 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.47 7.81 33 G 7.72 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.67 5.14 0.00 3.29 3.33 0.00 5.52 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 8.55 4.81 0.00 3.36 3.20 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 36 A 8.53 4.18 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 37 K 8.26 4.24 0.00 1.94 1.95 0.00 1.69 0.00 0.00 1.90 0.00 0.00 3.29 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.55 7.81 38 D 8.42 4.81 0.00 2.58 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 39 C 8.08 4.03 0.00 2.99 2.40 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 40 P 0.00 4.46 0.00 2.18 2.07 0.00 3.54 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.77 0.00 41 K 7.65 4.28 0.00 1.82 2.05 0.00 1.88 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.51 7.81 42 K 7.26 4.00 0.00 1.84 1.58 0.00 1.53 0.00 0.00 1.54 0.00 0.00 2.65 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.86 0.43 7.81 43 P 0.00 4.50 0.00 2.19 2.07 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 44 R 8.25 4.15 0.00 1.82 1.92 0.00 3.21 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 45 G 7.88 4.16 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 0.00 0.00 0.00 46 P 0.00 4.38 0.00 2.19 2.06 0.00 3.80 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 47 R 7.93 4.40 0.00 1.73 1.83 0.00 3.19 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 48 G 8.20 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 0.00 0.00 0.00 0.00 49 P 0.00 4.52 0.00 2.20 2.07 0.00 3.73 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 2.00 2.00 0.00 50 R 8.10 4.74 0.00 1.79 1.85 0.00 3.21 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 51 P 0.00 4.15 0.00 2.18 2.18 0.00 3.91 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 52 Q 7.94 3.05 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 53 T 7.91 4.26 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 54 S 8.53 4.27 0.00 3.81 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.86 3.52 0.00 1.79 1.62 0.92 1.02 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 56 L 8.45 3.96 0.00 1.78 1.60 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00