NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.2897 8.2493 123.5818 51.0002 19.6679 176.5118 7 P 4.2703 0.0000 0.0000 61.2828 31.8831 175.3548 8 D 4.7707 8.9076 124.6240 52.0709 43.8980 177.4742 9 F 4.0861 8.7478 119.6500 62.4011 39.1899 177.2070 10 H 4.4535 8.1817 115.1126 58.9837 28.3156 177.4624 11 D 4.3143 8.1915 119.8104 57.2305 40.7573 178.7481 12 K 3.7730 7.5388 117.5577 58.9760 32.2904 178.2642 13 Y 4.7109 7.8017 114.7190 57.3364 39.0054 177.7993 14 G 4.0042 8.1921 108.2546 48.3214 0.0000 175.2107 15 N 4.3095 8.2402 118.5688 55.6433 38.5166 177.2592 16 A 3.9740 7.9238 121.3829 55.2360 18.7317 179.5017 17 V 3.5515 8.0065 116.9218 66.0953 31.5592 177.9433 18 L 3.9424 8.2842 119.8757 58.1539 41.9987 178.6457 19 A 4.0182 8.0829 120.8291 55.3922 18.4529 179.8198 20 S 4.3715 8.6019 112.5204 60.7620 63.1362 176.9506 21 G 3.5864 8.1244 109.7708 47.8060 0.0000 175.6521 22 A 4.0730 8.1607 123.8762 55.0298 18.4317 179.8287 23 T 3.8622 8.0366 114.2199 66.7082 68.5091 176.5710 24 F 4.2598 8.3236 122.4743 61.5176 39.4859 176.3013 25 C 3.9746 8.2311 118.2213 62.7659 31.3578 175.6821 26 V 3.6333 7.9563 119.1671 65.9316 31.1247 177.7979 27 A 4.0287 8.1121 120.5419 55.3347 18.2739 180.0919 28 V 3.5358 7.7541 117.6909 64.5982 31.2479 178.6510 29 W 3.8117 8.3408 119.6968 59.4494 29.0220 178.6753 30 V 3.6723 8.1101 118.3025 66.0627 30.8516 177.4869 31 Y 3.9982 8.2304 119.2793 60.9175 38.4821 177.5443 32 M 3.8631 8.1035 117.6591 58.7177 32.3919 177.8075 33 A 4.6658 8.4196 120.1031 54.2692 18.7231 177.9290 34 T 4.5744 7.7492 103.8522 61.3010 70.1788 174.5402 35 Q 4.4031 8.1505 120.0896 55.6047 29.5219 175.7062 36 I 4.2511 7.4404 109.9703 60.2462 37.9603 175.6093 37 G 3.7697 8.2075 107.2086 46.7310 0.0000 173.8742 38 I 3.5791 7.5824 120.2388 60.3696 37.6019 175.3691 39 E 4.2755 8.2651 126.4864 54.7620 29.3695 175.6176 40 W 4.1938 8.7575 127.1759 57.1793 30.2659 176.0795 41 N 4.1625 8.5161 116.1221 53.9617 36.6048 170.6062 42 P 4.6290 0.0000 0.0000 61.6796 33.2156 176.5303 43 S 4.2481 8.2970 113.1117 57.8071 62.8009 172.4302 44 P 4.3124 0.0000 0.0000 64.8346 31.5432 176.4957 45 V 3.6560 7.4222 119.1712 64.5911 31.3766 176.8884 46 G 4.1501 9.0856 115.9786 45.3249 0.0000 173.5763 47 R 4.4254 7.3673 112.9619 56.1352 31.4208 176.3261 48 V 4.1746 7.9452 118.0503 61.2222 32.8200 175.0080 49 T 4.3824 8.2549 123.6676 61.2332 68.7603 172.9978 50 P 4.2794 0.0000 0.0000 62.8594 31.8494 175.8263 51 K 4.6835 8.3514 123.1005 53.8936 34.8549 175.3620 52 E 4.0858 8.8340 124.0532 56.7740 29.8581 176.9289 53 W 4.7117 8.1573 118.7117 57.1500 30.5228 175.4099 54 R 3.5194 6.3940 122.3675 56.0478 29.3304 175.6605 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 6 A 8.25 4.29 1.28 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 0.00 0.00 0.00 7 P 0.00 4.27 0.00 2.20 2.05 0.00 3.74 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 1.95 1.97 0.00 8 D 8.91 4.77 0.00 2.99 2.91 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 9 F 8.75 4.09 0.00 3.17 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 10 H 8.18 4.45 0.00 3.40 3.42 0.00 5.67 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 11 D 8.19 4.31 0.00 2.73 2.67 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 12 K 7.54 3.77 0.00 0.82 0.74 0.00 1.38 0.00 0.00 1.38 0.00 0.00 2.93 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.17 1.39 7.81 13 Y 7.80 4.71 0.00 2.15 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 14 G 8.19 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.24 4.31 0.00 2.74 2.90 0.00 0.00 6.86 7.22 0.00 0.00 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 A 7.92 3.97 1.41 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 0.00 0.00 17 V 8.01 3.55 2.32 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 1.08 0.00 0.00 1.08 0.00 0.00 18 L 8.28 3.94 0.00 1.91 1.84 0.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.08 4.02 1.41 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 0.00 0.00 20 S 8.60 4.37 0.00 4.07 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 21 G 8.12 3.59 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 0.00 0.00 0.00 22 A 8.16 4.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 3.86 4.33 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 1.28 0.00 0.00 24 F 8.32 4.26 0.00 3.20 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 25 C 8.23 3.97 0.00 3.32 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 26 V 7.96 3.63 2.20 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 0.99 0.00 0.00 0.94 0.00 0.00 27 A 8.11 4.03 1.41 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 0.00 0.00 28 V 7.75 3.54 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.69 0.00 0.00 29 W 8.34 3.81 0.00 3.54 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 30 V 8.11 3.67 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.01 0.00 0.00 31 Y 8.23 4.00 0.00 3.05 3.08 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 0.00 0.00 0.00 32 M 8.10 3.86 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 33 A 8.42 4.67 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.75 4.57 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 1.23 0.00 0.00 35 Q 8.15 4.40 0.00 0.93 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.13 0.00 0.00 0.00 0.00 0.00 2.11 2.31 0.00 36 I 7.44 4.25 1.78 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.55 0.69 0.00 0.00 37 G 8.21 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.58 3.58 1.64 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.39 -0.36 0.00 0.00 39 E 8.27 4.28 0.00 1.82 1.76 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 2.21 2.36 0.00 40 W 8.76 4.19 0.00 3.36 3.27 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 41 N 8.52 4.16 0.00 2.82 2.86 0.00 0.00 7.23 7.38 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 42 P 0.00 4.63 0.00 2.24 2.10 0.00 3.90 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 43 S 8.30 4.25 0.00 3.86 3.81 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 0.00 0.00 0.00 0.00 44 P 0.00 4.31 0.00 2.22 2.08 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 45 V 7.42 3.66 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 0.93 0.00 0.00 0.93 0.00 0.00 46 G 9.09 4.15 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 0.00 0.00 0.00 47 R 7.37 4.43 0.00 1.95 2.03 0.00 3.07 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 1.64 1.65 0.00 48 V 7.95 4.17 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 0.82 0.00 0.00 0.94 0.00 0.00 49 T 8.25 4.38 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 50 P 0.00 4.28 0.00 2.08 2.06 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 51 K 8.35 4.68 0.00 1.71 1.70 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.45 7.81 52 E 8.83 4.09 0.00 1.98 1.81 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 0.00 2.31 2.22 0.00 53 W 8.16 4.71 0.00 3.51 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 54 R 6.39 3.52 0.00 0.67 1.09 0.00 3.18 0.00 0.00 3.06 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.85 0.00