NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 N 4.6487 8.4093 119.2056 53.3946 38.9052 172.0694 8 R 4.2403 7.8282 116.6035 51.2379 30.0930 173.1267 9 P 4.5057 0.0000 0.0000 61.7084 31.2034 177.2117 10 G 4.3087 8.1487 117.2575 44.6064 0.0000 170.0515 11 I 3.6970 7.8469 121.3533 62.4176 37.0100 176.1785 12 T 4.2790 8.5733 121.5710 62.7973 68.6540 175.8181 13 F 3.9709 8.3042 121.5714 58.7073 38.1770 173.8922 14 E 4.5989 7.4454 117.6200 54.1220 31.4630 175.4982 15 I 4.0061 8.0973 123.7208 63.5573 37.0814 176.1238 16 G 3.9732 8.5128 113.4954 44.9867 0.0000 173.4867 17 A 4.2093 8.1839 122.2268 51.9295 20.1249 177.1196 18 R 4.9411 8.4909 119.2533 54.7609 31.7908 176.2695 19 L 4.8610 9.0139 126.0089 54.6887 43.6407 174.9281 20 E 5.0613 8.7986 118.1946 54.7842 31.4153 175.4254 21 A 5.1369 8.6473 126.5950 49.9025 22.1347 174.5244 22 L 5.0461 9.4914 123.6431 51.9678 43.9151 176.6660 23 D 4.6358 9.6571 121.4328 55.6088 45.7144 175.2035 24 Y 3.5299 8.7586 123.5589 59.0192 38.1647 171.4305 25 L 4.5651 7.8028 113.9719 53.6431 43.4734 176.2805 26 Q 3.6162 8.5480 116.8850 57.1001 26.3812 173.3002 27 K 4.6680 8.0532 115.3416 54.8690 35.7376 176.0522 28 W 4.8543 8.9319 122.6577 55.5710 28.8259 174.5025 29 Y 4.8758 8.1422 123.5251 54.1828 40.2611 173.3671 30 P 4.8372 0.0000 0.0000 63.5647 31.9954 175.7023 31 S 4.8248 9.3716 121.2645 56.6058 66.6459 173.4534 32 R 4.8300 8.2611 121.8551 54.5189 32.3859 175.7582 33 I 3.8528 8.6043 125.4308 61.4099 37.4759 176.1917 34 E 4.2827 9.0849 128.6764 57.4531 31.0064 175.7407 35 K 4.5083 7.2524 117.7468 55.2979 35.6847 174.2015 36 I 4.7957 8.1486 125.2352 59.3751 40.6184 174.1464 37 D 4.5085 9.0981 126.2944 52.9199 42.3964 176.2195 38 Y 5.0513 8.5271 123.0910 59.3979 39.5138 176.9952 39 E 4.1762 8.4893 119.8579 59.2664 29.9618 177.3680 40 E 4.0618 8.7289 118.4329 56.7788 30.4892 175.3455 41 G 3.6441 8.4358 106.2241 45.4818 0.0000 171.4771 42 K 4.5474 8.1894 120.1755 54.8698 37.7516 176.3186 43 M 4.9719 8.8303 118.2627 53.5038 35.1630 174.5319 44 L 3.7741 8.3060 124.4222 53.9802 42.6116 175.2636 45 V 4.3835 8.2002 127.5667 60.0102 33.8521 174.4807 46 H 5.2867 9.0136 120.3279 54.0083 30.3817 173.6220 47 F 4.8661 9.1765 122.6272 56.4701 40.2741 176.1270 48 E 4.1415 9.0847 121.0091 58.9032 29.8549 178.0759 49 R 3.9482 7.3855 123.0270 54.5992 29.1344 175.4371 50 W 4.2536 7.7027 128.5465 56.8372 33.3363 174.0138 51 S 4.3099 8.6018 122.4532 60.6461 63.1767 174.1514 52 H 4.1877 7.4573 120.3121 55.7966 29.5151 175.9433 53 R 4.0931 8.5810 127.6975 55.8857 28.9520 175.2125 54 Y 5.5037 8.0419 111.6924 56.9692 40.7015 174.4851 55 D 5.2578 7.7211 118.7668 51.9877 42.6704 174.3736 56 E 4.6462 8.5988 119.2486 55.2169 33.8912 174.1332 57 W 5.0660 8.7067 125.2292 55.6430 29.9237 175.4482 58 I 4.4051 8.3570 125.0679 59.4786 41.2976 174.1385 59 Y 5.0187 8.2664 120.3279 54.9769 40.2879 175.4377 60 W 4.4360 8.0609 120.8264 57.5238 28.6883 175.1291 61 D 5.1991 9.0226 122.6915 52.9861 37.9540 174.6583 62 S 4.4175 8.0714 115.7434 61.5563 62.2548 173.0930 63 N 5.2044 7.5870 116.9916 52.9844 44.9912 175.4708 64 R 4.5439 7.8200 117.5225 54.9082 32.2277 174.2964 65 L 5.4121 8.4979 118.1032 53.0591 45.7027 175.7135 66 R 4.7722 9.7028 125.0725 53.8987 32.5800 174.6005 67 P 4.7511 0.0000 0.0000 62.0948 32.3842 175.3512 68 L 4.3422 8.1513 119.6116 54.4990 42.4339 176.9717 69 E 3.9778 8.6396 117.5257 58.5173 29.0740 177.3076 70 R 4.0421 7.8750 122.7938 55.9620 30.6335 173.3836 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 7 N 8.41 4.65 0.00 2.69 2.84 0.00 0.00 6.78 6.78 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 8 R 7.83 4.24 0.00 1.98 1.89 0.00 3.09 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.68 0.00 9 P 0.00 4.51 0.00 2.18 2.16 0.00 3.62 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 10 G 8.15 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.85 3.70 1.94 0.00 0.00 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 1.52 0.83 1.20 0.00 0.00 12 T 8.57 4.28 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 1.24 0.00 0.00 13 F 8.30 3.97 0.00 3.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.45 4.60 0.00 2.19 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 2.25 2.50 0.00 15 I 8.10 4.01 1.85 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 1.34 0.28 0.87 0.00 0.00 16 G 8.51 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 17 A 8.18 4.21 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 18 R 8.49 4.94 0.00 1.76 1.87 0.00 3.11 0.00 0.00 3.39 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 19 L 9.01 4.86 0.00 1.73 1.87 0.77 0.79 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 20 E 8.80 5.06 0.00 2.15 2.16 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 2.30 2.16 0.00 21 A 8.65 5.14 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.49 5.05 0.00 0.27 0.70 0.25 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 23 D 9.66 4.64 0.00 3.07 3.25 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 24 Y 8.76 3.53 0.00 3.20 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.80 4.57 0.00 1.75 1.71 1.03 1.03 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 26 Q 8.55 3.62 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 27 K 8.05 4.67 0.00 2.05 1.97 0.00 1.78 0.00 0.00 1.98 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.57 1.56 7.81 28 W 8.93 4.85 0.00 3.15 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 29 Y 8.14 4.88 0.00 3.12 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 30 P 0.00 4.84 0.00 2.01 2.11 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 31 S 9.37 4.82 0.00 3.38 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.26 4.83 0.00 0.97 1.53 0.00 3.20 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 33 I 8.60 3.85 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.81 0.84 0.00 0.00 34 E 9.08 4.28 0.00 1.82 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 35 K 7.25 4.51 0.00 1.69 1.27 0.00 1.80 0.00 0.00 2.22 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.47 7.81 36 I 8.15 4.80 1.40 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.68 0.86 0.00 0.00 37 D 9.10 4.51 0.00 2.54 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.53 5.05 0.00 3.17 3.32 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 39 E 8.49 4.18 0.00 2.01 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 2.33 2.40 0.00 40 E 8.73 4.06 0.00 1.92 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 0.00 2.38 2.49 0.00 41 G 8.44 3.64 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 0.00 0.00 0.00 42 K 8.19 4.55 0.00 1.58 1.67 0.00 1.25 0.00 0.00 1.52 0.00 0.00 2.30 0.00 0.00 2.25 0.00 0.00 0.00 0.00 1.08 1.24 7.81 43 M 8.83 4.97 0.00 1.80 2.01 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 44 L 8.31 3.77 0.00 0.27 0.88 0.49 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.20 4.38 1.66 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 0.17 0.00 0.00 0.16 0.00 0.00 46 H 9.01 5.29 0.00 3.23 3.35 0.00 5.27 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 9.18 4.87 0.00 2.76 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 E 9.08 4.14 0.00 1.99 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 2.33 2.39 0.00 49 R 7.39 3.95 0.00 1.16 0.95 0.00 3.29 0.00 0.00 3.12 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.43 0.00 50 W 7.70 4.25 0.00 2.99 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 51 S 8.60 4.31 0.00 3.83 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.46 4.19 0.00 2.81 2.75 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 53 R 8.58 4.09 0.00 2.15 2.30 0.00 3.57 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.60 0.00 54 Y 8.04 5.50 0.00 3.08 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.72 5.26 0.00 2.18 1.71 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 56 E 8.60 4.65 0.00 2.31 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 2.38 2.39 0.00 57 W 8.71 5.07 0.00 3.04 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.36 4.41 1.81 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.64 0.97 0.00 0.00 59 Y 8.27 5.02 0.00 2.85 2.80 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 0.00 0.00 0.00 60 W 8.06 4.44 0.00 3.29 3.38 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 61 D 9.02 5.20 0.00 3.00 3.04 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 62 S 8.07 4.42 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 63 N 7.59 5.20 0.00 2.88 2.86 0.00 0.00 5.95 7.81 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 64 R 7.82 4.54 0.00 1.71 1.84 0.00 3.03 0.00 0.00 3.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.58 0.00 65 L 8.50 5.41 0.00 1.89 1.70 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 66 R 9.70 4.77 0.00 0.79 1.44 0.00 2.64 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.24 0.00 67 P 0.00 4.75 0.00 2.16 1.96 0.00 3.57 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 68 L 8.15 4.34 0.00 1.60 1.60 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.64 3.98 0.00 2.02 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 0.00 2.26 2.30 0.00 70 R 7.88 4.04 0.00 1.85 1.89 0.00 3.39 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.24 0.00