NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4331 8.3349 115.4120 58.3340 64.4114 172.1692 3 D 4.6867 8.3382 119.7861 51.7440 42.2989 171.1973 4 V 4.2575 8.3140 122.0886 60.8758 34.6929 174.0242 5 L 4.3761 8.5523 129.3645 53.7554 42.7538 175.2849 6 I 4.3492 8.2474 127.1402 59.7087 38.3497 175.4518 7 R 4.3506 8.4237 124.5596 56.0841 31.6615 175.7292 8 D 4.3630 8.4471 117.5429 55.4990 38.0709 174.6593 9 I 4.0697 7.5627 118.7695 59.9329 38.4592 175.5946 10 P 4.3912 0.0000 0.0000 62.6884 33.1218 177.2600 11 D 4.4322 8.7232 121.1671 57.5249 40.8703 178.9469 12 D 4.3441 8.0398 119.3467 56.1533 39.4641 178.7715 13 V 3.5432 7.6938 119.2226 65.8623 31.6194 177.7181 14 L 3.9679 7.9447 118.5176 57.8916 41.5611 179.4763 15 A 3.9663 8.2112 120.7068 55.1011 18.2331 179.6877 16 S 3.9972 8.0214 111.4963 61.4847 62.4330 176.3154 17 L 3.8689 8.0598 121.7575 57.9130 41.3476 179.1864 18 D 4.2909 8.4249 118.8782 57.3790 40.6189 178.8583 19 A 3.9603 7.9054 120.9904 55.0019 18.2541 179.6812 20 I 3.4804 7.8016 118.2525 64.4071 37.1636 178.5255 21 A 3.6728 7.8413 121.3791 55.0289 18.2270 179.4657 22 A 3.9486 7.9031 119.2940 55.4697 18.2028 180.1006 23 R 3.9503 7.5919 115.5870 58.5695 30.1548 178.1804 24 L 4.5389 7.1697 116.0808 53.7343 41.9971 176.8415 25 G 3.9181 7.9395 106.9309 46.2487 0.0000 173.5967 26 L 4.8586 7.7206 118.1194 51.8281 44.8759 177.4712 27 S 4.4098 8.3245 116.4150 57.7938 65.1468 175.2679 28 R 3.9458 8.5678 122.3319 60.1909 29.7693 178.7389 29 T 3.9519 7.8861 108.8175 64.6208 68.9310 176.0627 30 E 3.9363 8.3200 122.3329 59.0758 29.5796 178.0617 31 Y 4.0413 8.3193 119.8243 60.8511 38.8554 178.2098 32 I 3.5227 7.9944 120.7062 64.2030 37.2017 178.3223 33 R 3.8235 7.9900 119.4490 59.6753 29.9369 178.8713 34 R 3.8835 7.9619 117.7478 58.9867 30.0007 179.0580 35 R 3.6637 7.8591 118.9133 59.3713 30.0605 178.6546 36 L 3.9495 7.9882 118.6365 57.6264 41.5978 179.3149 37 A 3.9742 8.0005 120.8225 55.1881 18.2880 179.5091 38 Q 3.9009 8.2014 118.0937 59.2684 29.1269 178.0288 39 D 4.3248 8.1969 119.7692 57.4220 40.6593 178.7275 40 A 3.9942 7.7941 119.9981 55.0398 18.5053 179.1660 41 Q 4.0364 8.1736 118.0925 59.7330 28.9512 178.5977 42 T 3.8584 7.8485 115.3324 66.5724 68.5600 176.1164 43 A 4.1375 7.9754 121.1689 53.0555 18.8889 177.9674 44 R 3.8736 7.0075 118.1806 56.4689 30.6750 176.3568 45 V 4.0282 8.1376 124.1591 62.4416 32.6563 174.8834 46 T 4.4587 8.2425 121.1392 61.7057 70.1412 174.1742 47 V 4.3120 8.3558 126.3250 61.5824 32.6298 175.5259 48 T 4.5589 8.7036 118.2408 59.8737 72.1906 175.2072 49 A 3.9812 8.4677 122.9230 55.5068 18.2256 179.8778 50 A 3.9756 7.9563 118.6065 55.2896 18.5116 179.3542 51 D 4.2993 8.0469 117.4886 57.6600 40.9335 179.1272 52 L 4.0542 7.8209 118.9456 57.6782 41.5942 179.7985 53 R 3.9067 8.0570 118.1911 59.1209 30.0280 178.9708 54 R 3.8694 8.2051 118.7210 59.3097 30.0823 178.2110 55 L 3.9230 7.9613 120.0207 58.2154 41.5837 178.7847 56 R 3.9891 7.9996 118.6693 59.5640 29.7596 178.7110 57 G 3.6110 8.0587 104.0636 47.7404 0.0000 175.2698 58 A 4.2678 7.9086 122.2288 53.7425 18.7203 178.1990 59 V 4.4171 7.9629 110.8118 60.5370 32.9982 177.6733 60 A 3.9946 7.8918 125.0247 55.3948 18.5483 181.0347 61 G 3.7831 8.0589 103.7745 47.8811 0.0000 175.5638 62 L 4.0612 8.1316 120.1347 57.2509 41.6915 177.9910 63 G 3.9024 8.0158 106.4445 45.2658 0.0000 173.6006 64 D 4.7520 7.8488 120.3692 51.4973 42.4123 174.3825 65 P 4.2528 0.0000 0.0000 65.6223 31.3434 178.1919 66 E 3.9331 8.3803 118.0346 59.1782 29.6268 178.6902 67 L 3.9790 7.8204 119.5455 58.4902 42.0083 178.8286 68 M 4.2929 8.1246 117.2941 58.7316 32.0820 177.8389 69 R 3.9974 8.4426 119.2745 57.9725 30.0478 178.6538 70 Q 3.8160 8.3481 118.4078 59.5527 29.4166 179.9701 71 A 3.9412 7.9186 120.1808 53.8630 18.2665 177.9940 72 W 4.4709 8.2666 116.4334 56.4214 29.8426 176.1956 73 R 4.2467 8.0445 123.7038 56.7730 29.9105 176.2303 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 S 8.33 4.43 0.00 3.99 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 3 D 8.34 4.69 0.00 2.76 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 4 V 8.31 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 0.80 0.00 0.00 0.93 0.00 0.00 5 L 8.55 4.38 0.00 1.62 1.56 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.25 4.35 1.88 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 1.02 0.92 0.00 0.00 7 R 8.42 4.35 0.00 1.80 1.85 0.00 3.36 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 8 D 8.45 4.36 0.00 2.82 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 9 I 7.56 4.07 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.48 0.92 0.00 0.00 10 P 0.00 4.39 0.00 2.29 1.97 0.00 3.61 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 11 D 8.72 4.43 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.04 4.34 0.00 2.86 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 13 V 7.69 3.54 2.24 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 1.08 0.00 0.00 0.94 0.00 0.00 14 L 7.94 3.97 0.00 1.90 1.71 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.21 3.97 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.02 4.00 0.00 3.92 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 17 L 8.06 3.87 0.00 1.89 1.74 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.42 4.29 0.00 2.80 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.91 3.96 1.31 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 20 I 7.80 3.48 1.63 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.78 0.27 0.00 0.00 21 A 7.84 3.67 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 22 A 7.90 3.95 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 23 R 7.59 3.95 0.00 1.86 1.98 0.00 3.15 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 24 L 7.17 4.54 0.00 1.89 1.75 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.94 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 0.00 0.00 0.00 26 L 7.72 4.86 0.00 1.71 1.63 1.08 0.65 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 27 S 8.32 4.41 0.00 4.07 4.02 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 0.00 0.00 0.00 28 R 8.57 3.95 0.00 2.07 2.01 0.00 3.20 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 29 T 7.89 3.95 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 1.23 0.00 0.00 30 E 8.32 3.94 0.00 2.15 2.15 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 2.33 2.39 0.00 31 Y 8.32 4.04 0.00 3.13 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 32 I 7.99 3.52 1.88 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 1.49 0.70 0.90 0.00 0.00 33 R 7.99 3.82 0.00 1.95 2.07 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 34 R 7.96 3.88 0.00 1.88 1.87 0.00 3.19 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 35 R 7.86 3.66 0.00 1.24 1.75 0.00 2.98 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 36 L 7.99 3.95 0.00 1.68 1.66 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.00 3.97 1.33 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 0.00 0.00 0.00 38 Q 8.20 3.90 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 39 D 8.20 4.32 0.00 2.90 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 40 A 7.79 3.99 1.33 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 0.00 0.00 0.00 41 Q 8.17 4.04 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 42 T 7.85 3.86 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 1.21 0.00 0.00 43 A 7.98 4.14 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 44 R 7.01 3.87 0.00 1.87 1.95 0.00 3.25 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 45 V 8.14 4.03 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 0.93 0.00 0.00 46 T 8.24 4.46 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 47 V 8.36 4.31 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 0.85 0.00 0.00 0.93 0.00 0.00 48 T 8.70 4.56 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 49 A 8.47 3.98 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 50 A 7.96 3.98 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 51 D 8.05 4.30 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 52 L 7.82 4.05 0.00 1.82 1.71 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.06 3.91 0.00 2.03 1.98 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 54 R 8.21 3.87 0.00 1.98 2.09 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 55 L 7.96 3.92 0.00 1.81 1.80 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.00 3.99 0.00 2.04 2.08 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 57 G 8.06 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.91 4.27 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 59 V 7.96 4.42 2.09 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 0.77 0.00 0.00 1.03 0.00 0.00 60 A 7.89 3.99 1.35 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 0.00 0.00 0.00 61 G 8.06 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 0.00 0.00 0.00 62 L 8.13 4.06 0.00 1.71 1.78 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.02 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 0.00 0.00 0.00 64 D 7.85 4.75 0.00 2.79 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.25 0.00 2.21 2.12 0.00 3.66 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 2.13 2.17 0.00 66 E 8.38 3.93 0.00 2.07 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 2.33 0.00 67 L 7.82 3.98 0.00 2.09 1.78 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 68 M 8.12 4.29 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 3.03 0.00 69 R 8.44 4.00 0.00 2.12 1.90 0.00 3.19 0.00 0.00 3.12 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 70 Q 8.35 3.82 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 71 A 7.92 3.94 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 72 W 8.27 4.47 0.00 3.26 3.24 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 73 R 8.04 4.25 0.00 2.06 2.03 0.00 3.36 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00