NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.1464 8.1849 122.4908 54.8566 43.1626 176.1531 5 R 4.1028 8.4860 124.8476 53.9614 30.0806 170.8818 6 V 4.2045 8.8321 125.2266 60.6503 33.4340 175.6573 7 Q 4.1274 8.5612 127.0085 55.6213 30.5291 175.9217 8 P 4.2855 0.0000 0.0000 66.1728 30.8949 178.4421 9 E 4.0835 8.1560 116.2216 58.5287 29.6582 178.7582 10 A 4.0053 7.8393 121.6351 55.0885 18.6929 179.1030 11 Q 3.9018 8.2179 117.8762 59.2461 29.0550 178.3766 12 A 3.9963 8.0423 121.9022 54.9292 18.4339 179.6262 13 K 3.8846 7.8013 117.0433 59.6202 32.1719 179.6691 14 V 3.6450 7.5270 118.2158 66.2502 31.5635 177.5042 15 D 4.4386 8.3655 118.9521 57.6413 40.6905 179.3116 16 V 3.6056 7.8973 118.4216 65.8927 31.4617 177.8445 17 F 4.2313 8.1385 119.9387 61.4446 39.2694 177.0847 18 R 3.6036 8.6027 118.6576 59.2305 29.7213 178.4472 19 E 3.8999 8.2499 118.5010 59.3423 29.5359 178.7319 20 D 4.2807 8.0270 118.9246 57.3845 40.9194 178.7529 21 L 3.7413 7.7523 120.8801 58.1018 41.9166 178.5881 22 C 4.0192 7.6523 118.1762 62.6343 31.4929 175.5428 23 T 3.9307 7.9458 117.3455 66.8137 68.1304 176.5496 24 K 3.8161 8.3341 120.5486 60.0354 32.1605 179.5422 25 T 3.8086 7.9286 115.7854 66.4392 68.3319 176.8501 26 E 3.9552 8.3596 120.7852 59.2770 29.4153 179.1584 27 N 4.3264 8.0751 116.7751 55.9464 38.5160 177.3137 28 L 3.7070 7.6429 120.3592 57.6992 41.2200 179.5676 29 L 3.8048 7.3757 118.1050 57.7719 41.5108 179.7213 30 G 3.5422 7.8872 102.7362 46.4530 0.0000 173.2617 31 S 4.7611 7.6428 113.7317 58.9945 69.5058 175.3827 32 Y 4.0211 8.1691 120.4547 60.7731 38.5346 177.9157 33 F 4.5342 8.6370 118.8035 60.5630 38.9951 176.0132 34 P 4.3565 0.0000 0.0000 65.2140 31.0811 178.7318 35 K 3.9085 8.0872 118.5968 59.5504 32.2206 179.0703 36 K 3.8482 8.3690 119.1051 59.5234 31.7796 179.3825 37 I 3.7136 7.8584 120.0492 64.4307 37.0928 178.7425 38 S 4.1579 7.8909 116.0980 61.3908 62.6911 176.4300 39 E 3.9458 8.2231 121.2303 59.6224 29.2947 179.5205 40 L 4.1408 8.0479 118.8661 57.8596 41.4230 179.0940 41 D 4.3483 7.7592 117.2022 57.1468 41.4477 178.0089 42 A 4.1460 7.8907 120.9866 55.0719 18.5211 179.0669 43 F 4.3785 8.3558 119.3157 61.9398 39.0829 177.4765 44 L 3.8797 7.8503 117.4234 57.3925 41.5362 178.8172 45 K 4.2284 7.6800 115.5166 56.3116 32.2172 176.9428 46 E 4.3373 7.4611 121.2906 54.7938 30.7337 175.5271 47 P 4.2771 0.0000 0.0000 65.6201 31.8152 178.7158 48 A 4.0145 8.2652 119.9352 55.2773 18.2733 178.0936 49 L 4.5399 7.4024 112.1346 54.7656 41.6915 177.9460 50 N 4.9594 7.9643 117.0782 51.6584 40.1282 171.8922 51 E 4.5979 8.0669 118.2506 54.0814 32.3935 176.1992 52 A 3.9856 8.8499 127.3374 54.8344 18.9318 177.0440 53 N 4.7125 7.9065 115.9723 52.0136 38.9437 175.6657 54 L 4.3623 8.3287 123.1020 55.7120 42.0115 178.7422 55 S 4.4812 7.8268 114.8219 59.7007 63.3194 175.5889 56 N 4.4506 7.6594 117.3118 55.2460 38.5845 176.2233 57 L 4.0679 7.4869 118.7749 56.5296 42.4449 176.8698 58 K 3.6995 7.3039 119.1985 57.0233 32.3015 175.3139 59 A 4.7592 8.2838 128.8388 49.2511 21.0306 174.4734 60 P 4.3644 0.0000 0.0000 63.0388 31.8082 176.5660 61 L 4.4749 8.0019 122.5040 53.0108 41.9581 173.2568 62 D 4.5631 8.2197 119.9039 53.1463 40.9504 176.1823 63 I 4.2061 8.0106 126.5871 61.5010 38.1315 175.5945 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 4 L 8.18 4.15 0.00 1.60 1.64 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.49 4.10 0.00 1.91 1.88 0.00 3.22 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 6 V 8.83 4.20 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 7 Q 8.56 4.13 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.61 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 8 P 0.00 4.29 0.00 2.26 2.33 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 9 E 8.16 4.08 0.00 2.18 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 0.00 2.36 2.31 0.00 10 A 7.84 4.01 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 11 Q 8.22 3.90 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 12 A 8.04 4.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 3.88 0.00 1.98 1.88 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.57 7.81 14 V 7.53 3.64 2.31 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 1.03 0.00 0.00 0.99 0.00 0.00 15 D 8.37 4.44 0.00 2.88 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.90 3.61 2.31 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 1.03 0.00 0.00 0.98 0.00 0.00 17 F 8.14 4.23 0.00 3.13 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 18 R 8.60 3.60 0.00 2.12 1.89 0.00 3.18 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 19 E 8.25 3.90 0.00 2.17 1.93 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 2.30 2.60 0.00 20 D 8.03 4.28 0.00 2.74 2.66 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 0.00 0.00 0.00 0.00 21 L 7.75 3.74 0.00 1.25 1.49 0.70 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 22 C 7.65 4.02 0.00 2.94 2.98 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 23 T 7.95 3.93 4.41 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 1.16 0.00 0.00 24 K 8.33 3.82 0.00 1.76 1.75 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.55 7.81 25 T 7.93 3.81 4.32 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 1.11 0.00 0.00 26 E 8.36 3.96 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.59 0.00 27 N 8.08 4.33 0.00 2.85 2.82 0.00 0.00 6.93 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.64 3.71 0.00 1.64 0.94 0.57 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.38 3.80 0.00 1.61 1.64 0.85 0.81 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 30 G 7.89 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.64 4.76 0.00 3.75 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.17 4.02 0.00 3.11 3.07 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 33 F 8.64 4.53 0.00 3.17 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 4.36 0.00 2.20 2.14 0.00 3.75 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 35 K 8.09 3.91 0.00 1.86 1.99 0.00 1.29 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.41 7.81 36 K 8.37 3.85 0.00 1.87 1.76 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.48 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.90 1.36 7.81 37 I 7.86 3.71 2.05 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 1.50 0.92 0.91 0.00 0.00 38 S 7.89 4.16 0.00 3.94 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 39 E 8.22 3.95 0.00 1.98 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 2.28 2.62 0.00 40 L 8.05 4.14 0.00 1.71 1.77 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.76 4.35 0.00 2.85 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 42 A 7.89 4.15 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.36 4.38 0.00 3.04 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 44 L 7.85 3.88 0.00 1.84 1.65 0.88 0.78 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 45 K 7.68 4.23 0.00 1.88 1.86 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.70 7.81 46 E 7.46 4.34 0.00 2.41 1.98 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 2.37 2.34 0.00 47 P 0.00 4.28 0.00 2.24 2.10 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 48 A 8.27 4.01 1.40 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 0.00 0.00 49 L 7.40 4.54 0.00 1.78 1.49 -0.32 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 50 N 7.96 4.96 0.00 2.73 2.69 0.00 0.00 6.65 7.23 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 51 E 8.07 4.60 0.00 1.90 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 2.19 2.34 0.00 52 A 8.85 3.99 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 53 N 7.91 4.71 0.00 2.76 2.77 0.00 0.00 7.11 6.74 0.00 0.00 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 L 8.33 4.36 0.00 1.70 1.68 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.83 4.48 0.00 3.88 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.66 4.45 0.00 2.98 2.87 0.00 0.00 6.91 8.99 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 57 L 7.49 4.07 0.00 1.62 1.93 0.92 0.39 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 58 K 7.30 3.70 0.00 1.80 1.84 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.42 7.81 59 A 8.28 4.76 1.23 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 0.00 0.00 60 P 0.00 4.36 0.00 2.19 2.07 0.00 3.71 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 1.99 1.96 0.00 61 L 8.00 4.47 0.00 1.55 1.56 0.92 1.21 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 62 D 8.22 4.56 0.00 2.66 2.60 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 63 I 8.01 4.21 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 1.27 0.94 0.91 0.00 0.00