NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2908 8.1627 118.2058 54.8468 32.8229 175.8040 2 L 2.0000 7.4501 124.0007 55.8000 42.1962 177.8546 3 Q 3.7933 8.3587 116.1284 58.4506 29.3238 176.5150 4 L 4.4125 7.6432 117.0529 54.3660 42.4400 176.8376 5 W 4.7170 7.8600 121.2207 56.5613 29.7393 176.5666 6 S 4.8068 9.3092 118.9933 57.2159 65.4274 175.4494 7 K 4.6663 8.2631 121.7327 59.6260 32.0919 179.0335 8 F 4.3202 7.8968 118.6698 60.3137 38.8885 177.3126 9 D 4.2456 8.1399 118.5478 57.1238 40.5130 178.7951 10 V 3.7964 8.0874 118.9817 66.0752 31.5671 178.3038 11 G 3.6517 8.0020 104.8892 48.0190 0.0000 175.4115 12 D 4.3420 8.2601 121.4035 56.6290 40.8945 178.6984 13 W 3.9460 8.1647 129.2052 60.3071 30.6189 177.8336 14 L 3.3392 8.2552 119.3297 57.8735 41.0394 179.4462 15 E 3.9096 8.0415 118.4501 59.3562 29.1549 179.6093 16 S 4.1128 7.7573 113.3661 60.0808 62.9584 175.4028 17 I 4.1528 6.6039 115.3434 60.4475 38.4342 175.0541 18 H 4.0195 7.4652 114.3170 57.8979 26.7433 175.1394 19 L 4.6452 7.8162 118.1648 54.0393 42.4807 179.2789 20 G 3.6336 8.0423 108.0574 47.3809 0.0000 175.4225 21 E 3.9725 8.0670 118.5625 59.1266 29.7556 177.7719 22 H 4.8466 8.0388 115.8550 56.1003 29.1446 177.1191 23 R 4.0011 8.0064 119.5291 59.3599 29.1320 178.5757 24 D 4.4102 8.1362 119.2133 57.2162 40.9045 178.4877 25 R 4.0443 8.1123 118.7888 59.2587 30.2377 178.3501 26 F 4.0529 8.6713 117.9051 60.4174 38.8631 177.2488 27 E 3.9107 8.7898 119.4071 59.4475 29.2530 178.5673 28 D 4.3956 8.3115 118.1126 57.3471 40.9290 177.5599 29 H 4.4679 8.0545 113.8299 54.5076 29.4322 174.8284 30 E 3.7382 8.1079 119.5221 57.2487 27.7980 175.3733 31 I 4.0589 7.8874 119.6509 61.0649 38.0862 176.0878 32 E 5.0150 8.5042 122.7051 53.8345 32.6072 176.9441 33 G 3.7177 8.8826 105.6690 48.2352 0.0000 175.7650 34 A 3.9641 7.8532 121.2234 54.9693 18.5337 178.8810 35 H 4.4152 8.1194 114.7402 58.2813 28.6683 177.5533 36 L 4.0776 7.7776 121.2758 57.6468 41.3441 177.9623 37 P 4.2709 0.0000 0.0000 65.0773 31.4187 177.2249 38 A 4.3324 7.5765 118.7281 52.5480 19.1966 177.6269 39 L 3.9559 7.4071 116.6525 54.9762 42.0695 177.6912 40 T 4.5075 8.7425 114.1881 59.7701 72.2005 175.7288 41 K 4.0728 8.5702 120.8010 60.0912 32.0322 178.1787 42 E 3.9918 8.1790 118.0693 59.4449 29.3972 178.9432 43 D 4.2059 7.9108 118.9335 57.3618 40.8591 178.8112 44 F 4.2505 8.1595 118.5025 60.5382 38.8494 177.9136 45 V 3.6605 8.1154 117.9713 66.0427 31.1378 177.7237 46 E 3.9862 8.0545 117.8783 58.8906 29.4982 177.8486 47 L 4.1733 7.6064 116.5160 54.5273 41.8371 177.6196 48 G 3.9800 8.2817 108.0251 45.5821 0.0000 175.1871 49 V 3.9918 7.9503 121.6202 61.8165 29.7233 175.5122 50 T 4.2389 7.9424 112.8154 62.1587 70.2126 176.5031 51 R 4.2816 7.7101 122.8615 55.0183 31.6764 176.8778 52 V 3.6857 8.5377 123.4528 66.3100 31.5588 178.3596 53 G 3.6070 8.0372 104.6950 47.9585 0.0000 175.3292 54 H 4.2294 8.0893 117.9355 58.9239 28.9120 177.8747 55 R 3.5733 7.8129 119.5340 59.2479 29.7492 179.0497 56 E 3.9967 8.4812 118.6975 59.4267 29.3475 179.1546 57 N 4.3672 8.2036 116.5947 55.9556 38.5379 177.6595 58 I 3.6692 7.8624 121.6290 64.2793 37.1640 177.9234 59 E 4.0111 8.1516 120.0815 59.4540 29.5129 178.7720 60 R 3.8966 8.4021 118.8083 59.5150 29.8806 178.3476 61 A 4.2339 8.2392 119.8515 54.9311 18.7193 179.3707 62 L 4.2077 8.3168 117.9268 58.0216 41.5092 179.8091 63 R 3.9645 8.1005 117.1623 59.4023 30.1572 178.9491 64 Q 4.1795 8.0860 116.1636 58.0818 28.7076 177.1289 65 L 4.3931 7.6193 124.4340 54.8931 41.9666 176.2794 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 8.16 4.29 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 2 L 7.45 2.00 0.00 0.83 1.12 -0.03 0.13 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 3 Q 8.36 3.79 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.70 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 4 L 7.64 4.41 0.00 1.72 1.78 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 5 W 7.86 4.72 0.00 3.35 2.99 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 6 S 9.31 4.81 0.00 4.16 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 7 K 8.26 4.67 0.00 1.83 1.98 0.00 1.35 0.00 0.00 1.56 0.00 0.00 2.56 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.89 0.21 7.81 8 F 7.90 4.32 0.00 3.14 3.11 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 0.00 0.00 0.00 9 D 8.14 4.25 0.00 2.97 2.21 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.09 3.80 2.40 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 1.38 0.00 0.00 1.26 0.00 0.00 11 G 8.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.26 4.34 0.00 2.73 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.16 3.95 0.00 2.48 3.11 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 0.00 0.00 0.00 14 L 8.26 3.34 0.00 1.69 1.61 0.05 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.04 3.91 0.00 2.08 1.89 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 2.25 2.44 0.00 16 S 7.76 4.11 0.00 3.93 3.98 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 17 I 6.60 4.15 1.56 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.23 0.51 0.00 0.00 18 H 7.47 4.02 0.00 3.23 3.37 0.00 5.79 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.82 4.65 0.00 1.44 1.46 0.70 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.04 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.07 3.97 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 22 H 8.04 4.85 0.00 3.19 3.56 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.01 4.00 0.00 2.05 2.14 0.00 2.76 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 1.85 1.70 0.00 24 D 8.14 4.41 0.00 2.77 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 25 R 8.11 4.04 0.00 2.01 2.11 0.00 3.25 0.00 0.00 3.51 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 26 F 8.67 4.05 0.00 3.30 3.20 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 0.00 0.00 0.00 0.00 27 E 8.79 3.91 0.00 2.15 2.16 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 2.21 2.01 0.00 28 D 8.31 4.40 0.00 2.88 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 H 8.05 4.47 0.00 3.15 3.26 0.00 6.00 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.11 3.74 0.00 2.07 1.99 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 2.20 2.35 0.00 31 I 7.89 4.06 2.12 0.00 0.00 0.71 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 0.97 1.12 0.00 0.00 32 E 8.50 5.01 0.00 2.24 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 33 G 8.88 3.72 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 0.00 0.00 0.00 34 A 7.85 3.96 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 35 H 8.12 4.42 0.00 3.35 3.27 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.78 4.08 0.00 1.73 1.80 0.82 1.41 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 37 P 0.00 4.27 0.00 2.00 2.09 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.00 0.00 38 A 7.58 4.33 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 39 L 7.41 3.96 0.00 1.09 0.59 0.62 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.74 4.51 4.34 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 1.18 0.00 0.00 41 K 8.57 4.07 0.00 1.93 1.92 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.58 1.62 7.81 42 E 8.18 3.99 0.00 2.07 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 2.39 2.47 0.00 43 D 7.91 4.21 0.00 2.49 2.33 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 44 F 8.16 4.25 0.00 3.28 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 45 V 8.12 3.66 2.25 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 1.07 0.00 0.00 1.04 0.00 0.00 46 E 8.05 3.99 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 47 L 7.61 4.17 0.00 1.64 1.23 -0.12 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.28 3.98 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 0.00 0.00 0.00 49 V 7.95 3.99 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.12 0.00 0.00 50 T 7.94 4.24 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 1.25 0.00 0.00 51 R 7.71 4.28 0.00 1.62 1.76 0.00 2.79 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 52 V 8.54 3.69 2.07 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 1.14 0.00 0.00 0.93 0.00 0.00 53 G 8.04 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 54 H 8.09 4.23 0.00 3.34 3.31 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.81 3.57 0.00 1.96 1.80 0.00 3.17 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.76 0.00 56 E 8.48 4.00 0.00 2.08 1.99 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 2.54 2.49 0.00 57 N 8.20 4.37 0.00 2.87 2.78 0.00 0.00 6.99 6.56 0.00 0.00 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 I 7.86 3.67 1.77 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.76 1.04 0.00 0.00 59 E 8.15 4.01 0.00 2.12 2.12 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 2.35 2.41 0.00 60 R 8.40 3.90 0.00 1.92 2.11 0.00 3.17 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 61 A 8.24 4.23 1.60 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 0.00 0.00 62 L 8.32 4.21 0.00 2.00 1.77 1.12 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.10 3.96 0.00 1.96 2.03 0.00 3.19 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 64 Q 8.09 4.18 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.66 0.00 65 L 7.62 4.39 0.00 1.89 1.49 0.73 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00