NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 E 4.2886 8.4444 120.2248 56.1453 31.7748 176.1079 10 Q 3.6340 8.0013 119.6196 55.0508 29.4962 169.8000 11 V 4.3010 8.5344 125.3517 61.0751 34.3148 174.1690 12 F 4.8798 8.4954 123.4331 55.2774 42.8035 174.2040 13 A 4.5450 8.7798 123.9645 51.6216 19.4379 176.3374 14 A 4.4669 8.6698 125.1413 51.3904 19.4082 176.8298 15 E 4.1550 9.2351 125.3104 58.7762 30.3650 176.5541 16 C 4.7148 7.3091 110.9572 57.7200 32.3475 172.5622 17 I 4.3408 8.2760 121.0827 60.4792 37.3320 175.6550 18 L 4.4681 8.5355 126.6216 56.5026 43.0267 176.4671 19 S 5.0177 7.1827 111.0378 57.2943 65.8692 173.3929 20 K 5.4485 8.9296 121.7213 55.3982 35.6745 175.1104 21 R 4.6244 8.8205 116.9515 55.2112 33.5242 173.2016 22 L 4.9873 8.1948 119.1084 52.8696 43.8701 176.2328 23 R 4.2990 8.6431 123.8720 55.2744 31.9955 175.4022 24 K 3.8458 9.7456 124.8669 57.4927 29.7115 176.3410 25 G 3.9168 8.3953 104.9451 45.3386 0.0000 173.9890 26 K 4.5786 7.7201 119.8432 54.3168 34.5670 175.4925 27 L 4.5214 8.3803 126.4849 55.0644 42.8043 175.7162 28 E 5.0297 9.0097 124.6757 54.8209 34.4092 174.0393 29 Y 5.1512 9.1213 119.3206 56.1445 41.9364 174.4492 30 L 3.8981 8.2818 126.3567 53.8770 43.6195 175.2345 31 V 4.2687 8.0908 126.6678 60.6550 34.0872 174.0708 32 K 4.5896 8.1361 129.5726 55.4592 33.7645 175.1364 33 W 5.0972 8.4841 127.1178 54.7619 31.2623 175.8589 34 R 4.1903 8.8408 125.7176 57.8956 29.9350 176.8985 35 G 4.0794 9.4306 113.1859 45.0581 0.0000 172.9526 36 W 4.8096 7.8899 118.3843 54.2744 32.6087 175.4610 37 S 4.5157 8.5682 116.3320 58.0182 63.6151 175.2601 38 S 5.0841 8.4605 115.2868 60.3306 62.6761 176.9094 39 K 4.0414 7.8695 119.1224 58.9611 31.8123 177.3705 40 H 4.8178 8.0929 114.1685 55.2812 29.2060 174.4277 41 N 5.1777 8.1243 118.2338 53.3101 39.4290 174.2345 42 S 4.9814 8.4011 115.8247 56.3030 67.1753 172.6851 43 W 4.9341 8.8661 121.6639 56.3404 29.8010 175.5713 44 E 5.0617 9.3693 124.6876 53.5241 32.9226 174.3001 45 P 4.8835 0.0000 0.0000 62.4014 32.3833 176.7840 46 E 4.1083 9.0942 120.6958 59.5208 29.5576 178.8568 47 E 4.0724 8.2066 114.8828 58.4532 29.7479 177.0680 48 N 4.5892 8.1957 115.9749 53.9223 39.0143 175.4374 49 I 4.1915 7.6109 120.2667 60.0593 36.2935 175.3042 50 L 4.1890 8.3266 125.6654 56.8061 42.4695 177.5727 51 D 4.5512 7.8995 119.2629 52.8088 41.7807 175.0334 52 P 4.3559 0.0000 0.0000 65.6377 31.1633 178.6399 53 R 3.9961 8.6498 118.5574 58.7297 29.9566 178.8463 54 L 3.8981 7.7549 119.1935 57.9046 41.6826 179.4742 55 L 4.0211 7.6983 118.2469 57.0891 41.4261 178.9044 56 L 3.9129 7.6699 119.6851 58.2316 42.2566 178.6795 57 A 4.1196 8.2341 120.7499 55.2055 18.1276 179.3297 58 F 4.2083 7.9352 117.6905 61.2665 39.5069 176.4453 59 Q 4.1353 7.8676 114.8005 55.9744 28.8395 176.0492 60 K 4.1087 7.6176 125.0318 56.6649 32.0465 176.6882 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 9 E 8.44 4.29 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 10 Q 8.00 3.63 0.00 1.94 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.69 0.00 0.00 0.00 0.00 0.00 1.16 1.98 0.00 11 V 8.53 4.30 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 0.91 0.00 0.00 0.94 0.00 0.00 12 F 8.50 4.88 0.00 2.89 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 13 A 8.78 4.54 1.39 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 0.00 0.00 0.00 14 A 8.67 4.47 0.92 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 15 E 9.24 4.15 0.00 1.93 1.91 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 2.31 2.28 0.00 16 C 7.31 4.71 0.00 2.92 2.90 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 17 I 8.28 4.34 1.53 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.30 -0.02 0.00 0.00 18 L 8.54 4.47 0.00 1.21 1.62 0.77 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.18 5.02 0.00 3.89 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.93 5.45 0.00 1.57 1.88 0.00 1.73 0.00 0.00 2.16 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.70 1.55 7.81 21 R 8.82 4.62 0.00 1.48 1.53 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.11 0.00 22 L 8.19 4.99 0.00 1.44 1.53 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.64 4.30 0.00 1.53 1.61 0.00 3.13 0.00 0.00 2.96 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.40 0.00 24 K 9.75 3.85 0.00 1.87 1.82 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.32 7.81 25 G 8.40 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 K 7.72 4.58 0.00 1.79 1.69 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.34 7.81 27 L 8.38 4.52 0.00 1.57 1.53 0.59 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.01 5.03 0.00 1.86 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 2.24 2.20 0.00 29 Y 9.12 5.15 0.00 2.74 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.28 3.90 0.00 0.27 0.64 -0.01 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.09 4.27 1.19 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 -0.86 0.00 0.00 0.59 0.00 0.00 32 K 8.14 4.59 0.00 1.79 1.48 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.42 7.81 33 W 8.48 5.10 0.00 3.26 2.95 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 0.00 0.00 0.00 34 R 8.84 4.19 0.00 1.99 2.10 0.00 3.36 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 35 G 9.43 4.08 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 0.00 0.00 0.00 36 W 7.89 4.81 0.00 3.34 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 37 S 8.57 4.52 0.00 4.06 4.08 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 38 S 8.46 5.08 0.00 3.93 3.95 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 0.00 0.00 0.00 39 K 7.87 4.04 0.00 1.76 1.83 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.45 7.81 40 H 8.09 4.82 0.00 3.55 3.30 0.00 5.67 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.12 5.18 0.00 2.58 2.55 0.00 0.00 6.58 6.88 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 42 S 8.40 4.98 0.00 3.95 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 43 W 8.87 4.93 0.00 3.21 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.37 5.06 0.00 1.91 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 2.52 2.63 0.00 45 P 0.00 4.88 0.00 2.63 2.23 0.00 3.82 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 2.15 2.01 0.00 46 E 9.09 4.11 0.00 2.30 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 2.45 2.41 0.00 47 E 8.21 4.07 0.00 2.15 2.11 0.00 0.00 0.00 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 2.31 0.00 48 N 8.20 4.59 0.00 2.99 3.04 0.00 0.00 6.94 7.55 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 49 I 7.61 4.19 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.59 0.74 0.00 0.00 50 L 8.33 4.19 0.00 1.67 1.74 0.96 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.90 4.55 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.36 0.00 2.29 2.29 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 53 R 8.65 4.00 0.00 1.96 2.01 0.00 3.12 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 54 L 7.75 3.90 0.00 1.70 1.54 0.83 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.70 4.02 0.00 1.59 1.64 0.71 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.67 3.91 0.00 1.76 1.86 0.92 1.10 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 57 A 8.23 4.12 1.39 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 0.00 0.00 0.00 58 F 7.94 4.21 0.00 3.04 3.22 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 0.00 0.00 0.00 0.00 59 Q 7.87 4.14 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 60 K 7.62 4.11 0.00 1.82 1.68 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.40 7.81