NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4403 8.1476 120.3281 54.5490 33.3024 175.1858 2 P 4.4050 0.0000 0.0000 62.5237 32.3374 174.0993 3 G 4.0205 9.2259 107.2986 45.3567 0.0000 175.0051 4 T 4.5838 6.7312 112.8001 61.0412 67.2628 173.9440 5 I 4.1971 7.3187 119.4632 60.3497 38.1557 175.8168 6 K 4.5474 7.2772 115.6186 55.1972 32.8363 175.4446 7 E 4.8644 7.6670 110.9867 55.7632 31.1557 174.5673 8 N 4.6798 8.0089 121.6427 53.7287 39.3404 175.0777 9 I 4.2606 7.4618 116.2349 61.1966 38.3150 177.1450 10 I 3.9481 7.5556 122.1500 61.3360 37.0940 176.3220 11 G 3.6850 7.7432 106.9961 46.4015 0.0000 173.1713 12 V 3.7954 7.2671 121.5791 65.2120 32.6665 176.5271 13 S 4.3639 7.6383 123.7467 58.5852 62.3961 173.8419 14 Y 3.9730 8.6941 123.9215 60.0088 38.7228 176.1957 15 D 4.9951 7.8073 115.2443 52.1572 41.0403 175.4213 16 E 4.7119 7.2598 114.1276 56.3791 31.6936 173.7045 17 Y 5.2933 7.3605 123.1759 58.1757 41.4551 172.9634 18 R 4.2867 7.3921 116.3450 57.0942 29.9174 175.1754 19 Y 3.4544 6.9493 107.9193 59.2011 36.1220 171.9733 20 R 4.7163 7.3049 114.3044 56.5937 30.6532 176.9603 21 S 4.7857 7.9569 110.4742 58.5114 63.5277 175.5998 22 V 4.1440 7.8231 118.4379 62.0474 31.9457 175.7577 23 I 4.5708 7.2446 121.5558 59.9989 37.8938 175.5437 24 K 3.9108 8.1316 118.2511 57.3126 32.9498 176.3595 25 A 4.3203 8.3463 120.9041 52.3853 19.1833 176.4209 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 M 8.15 4.44 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 2 P 0.00 4.40 0.00 2.26 2.06 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 1.98 2.03 0.00 3 G 9.23 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 0.00 0.00 0.00 4 T 6.73 4.58 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 1.25 0.00 0.00 5 I 7.32 4.20 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 1.30 0.80 0.91 0.00 0.00 6 K 7.28 4.55 0.00 1.70 1.69 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.42 7.81 7 E 7.67 4.86 0.00 1.90 1.78 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 2.12 2.21 0.00 8 N 8.01 4.68 0.00 2.69 2.76 0.00 0.00 7.22 7.93 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 9 I 7.46 4.26 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.99 0.90 0.00 0.00 10 I 7.56 3.95 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.76 0.92 0.00 0.00 11 G 7.74 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.27 3.80 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 0.79 0.00 0.00 0.97 0.00 0.00 13 S 7.64 4.36 0.00 3.88 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 14 Y 8.69 3.97 0.00 3.04 3.02 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 15 D 7.81 5.00 0.00 2.64 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 16 E 7.26 4.71 0.00 1.96 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 2.23 2.32 0.00 17 Y 7.36 5.29 0.00 2.84 2.87 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 18 R 7.39 4.29 0.00 1.90 1.86 0.00 3.43 0.00 0.00 3.39 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 19 Y 6.95 3.45 0.00 3.14 2.89 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 20 R 7.30 4.72 0.00 1.83 1.93 0.00 3.31 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 21 S 7.96 4.79 0.00 3.77 3.82 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 22 V 7.82 4.14 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 0.83 0.00 0.00 0.93 0.00 0.00 23 I 7.24 4.57 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 1.47 0.56 0.92 0.00 0.00 24 K 8.13 3.91 0.00 1.84 1.86 0.00 1.42 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.54 7.81 25 A 8.35 4.32 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