NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.5076 8.1749 111.0788 61.6983 70.7197 172.2141 4 I 4.7351 8.4724 120.9002 57.6974 41.4363 173.5094 5 K 4.9151 9.4230 126.8410 55.7969 34.7428 174.9245 6 I 4.6321 8.7025 126.9380 59.8223 39.5601 174.9684 7 T 5.4005 8.0615 121.8569 60.4202 72.3088 172.9595 8 Q 4.2487 8.8592 128.3747 56.5533 29.4781 176.1194 9 T 4.1662 8.6344 116.9476 63.1065 70.2863 175.6146 10 R 4.2456 7.8635 119.5988 55.0944 31.0170 176.1150 11 S 4.4793 8.1992 114.8670 57.1616 63.5425 173.7202 12 A 4.1910 8.3520 123.5100 54.1300 18.5758 177.8310 13 I 3.9742 7.5750 110.1298 62.2588 38.0230 174.8604 14 G 4.1525 9.0096 113.5877 45.2911 0.0000 174.1368 15 R 4.0188 7.0426 113.8969 55.8971 29.7019 176.5257 16 L 4.1702 8.2481 120.2120 53.6088 42.3817 175.2093 17 P 4.2827 0.0000 0.0000 63.5569 32.2514 176.1101 18 K 4.3210 8.8545 121.4879 58.2602 30.6250 178.6490 19 H 4.4317 7.7456 114.8352 58.4787 28.5337 177.7254 20 K 3.9809 7.7755 121.1031 59.3728 31.8366 178.8523 21 A 4.0266 7.8073 119.6923 55.1097 18.5397 179.3428 22 T 3.9626 8.2019 114.8545 66.9448 68.6015 176.7214 23 L 3.9967 7.8522 120.5564 57.9344 41.4652 179.6873 24 L 4.5594 7.4642 119.1606 56.8165 41.5863 179.7686 25 G 3.6823 8.1953 106.2641 47.8545 0.0000 175.8196 26 L 4.0847 7.9141 120.6667 55.5946 41.6615 178.2069 27 G 4.0946 7.5687 106.0666 45.0556 0.0000 173.0902 28 L 4.6760 8.1958 120.9315 53.2819 42.7047 177.0231 29 R 4.7848 8.6114 120.2469 55.5921 32.0219 175.0319 30 R 4.6233 7.3433 116.3315 54.3772 34.1469 174.3976 31 I 3.8916 7.9340 113.8014 62.1844 38.2653 175.5571 32 G 4.1053 8.8142 111.3383 45.7538 0.0000 173.9860 33 H 4.4585 7.6392 115.4424 56.4629 29.7187 174.9652 34 T 5.8735 8.7218 117.8444 60.9776 71.9881 173.5468 35 V 4.5728 8.1941 122.4271 60.1706 35.6396 173.7461 36 E 5.0357 8.7899 121.2485 54.9800 31.1581 175.4985 37 R 4.6841 8.5877 124.1577 53.9867 32.9996 175.7993 38 E 4.2909 8.8234 123.2302 56.3253 30.6135 177.2422 39 D 4.5828 8.6272 122.5534 54.3963 40.1571 176.4765 40 T 4.7391 7.9206 119.8891 60.4722 74.0997 173.2034 41 P 4.0617 0.0000 0.0000 65.4274 31.5650 178.4121 42 A 3.9601 7.9951 118.9613 55.4954 18.5454 179.2093 43 I 3.6192 7.9136 117.6448 65.0666 37.2084 178.6076 44 R 4.0726 8.2627 118.6319 59.0459 29.9917 179.3751 45 G 3.6108 7.9106 105.1454 47.9932 0.0000 175.7485 46 M 4.1032 8.2476 121.4034 58.3277 31.9376 178.9218 47 I 3.7671 7.8556 119.8242 64.4309 36.9556 178.0426 48 N 4.8989 8.1472 118.2764 56.1150 38.8686 176.5771 49 A 4.3176 7.8608 120.9224 54.0575 18.7712 178.9992 50 V 4.3500 7.5581 109.2290 61.5007 32.1195 177.7709 51 S 4.1763 7.8547 118.7286 61.8485 62.3435 176.8258 52 F 4.1128 8.5168 119.0727 60.6987 39.1879 176.5636 53 M 4.2593 8.2261 119.5819 57.1277 32.1830 175.8066 54 V 4.9092 7.6972 110.1003 59.1711 36.1174 175.2562 55 K 4.4412 8.7082 122.3292 55.1806 33.9255 175.2709 56 V 5.0195 7.8924 120.2263 59.3058 34.5262 175.1403 57 E 4.8346 8.0360 119.4797 55.7274 32.8495 175.7893 58 E 4.3672 8.8814 122.8484 56.4506 29.8755 175.6687 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 3 T 8.17 4.51 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 4 I 8.47 4.74 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 1.28 1.22 0.96 0.00 0.00 5 K 9.42 4.92 0.00 1.87 1.95 0.00 1.29 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.57 1.40 7.81 6 I 8.70 4.63 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 1.24 0.63 0.93 0.00 0.00 7 T 8.06 5.40 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 1.28 0.00 0.00 8 Q 8.86 4.25 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.71 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 9 T 8.63 4.17 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 1.22 0.00 0.00 10 R 7.86 4.25 0.00 1.86 1.91 0.00 3.34 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 11 S 8.20 4.48 0.00 3.82 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 12 A 8.35 4.19 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.57 3.97 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 1.35 0.63 0.91 0.00 0.00 14 G 9.01 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 15 R 7.04 4.02 0.00 1.97 1.96 0.00 3.08 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.61 0.00 16 L 8.25 4.17 0.00 1.79 1.66 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.28 0.00 2.16 2.08 0.00 3.86 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 18 K 8.85 4.32 0.00 1.89 1.92 0.00 1.60 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.41 7.81 19 H 7.75 4.43 0.00 3.41 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.78 3.98 0.00 1.81 1.80 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.60 7.81 21 A 7.81 4.03 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.20 3.96 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 23 L 7.85 4.00 0.00 1.88 1.74 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.46 4.56 0.00 1.82 1.75 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.20 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 26 L 7.91 4.08 0.00 1.78 1.79 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.57 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.20 4.68 0.00 1.80 1.63 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.61 4.78 0.00 1.78 1.89 0.00 3.22 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 30 R 7.34 4.62 0.00 1.28 1.57 0.00 3.09 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 31 I 7.93 3.89 1.86 0.00 0.00 0.83 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 0.78 0.93 0.00 0.00 32 G 8.81 4.11 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 0.00 0.00 0.00 33 H 7.64 4.46 0.00 3.28 3.22 0.00 5.58 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.72 5.87 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 1.26 0.00 0.00 35 V 8.19 4.57 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 0.92 0.00 0.00 0.96 0.00 0.00 36 E 8.79 5.04 0.00 1.85 1.92 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 2.22 2.30 0.00 37 R 8.59 4.68 0.00 1.71 1.80 0.00 3.29 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 38 E 8.82 4.29 0.00 1.85 1.88 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 0.00 2.31 2.35 0.00 39 D 8.63 4.58 0.00 2.67 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 40 T 7.92 4.74 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 1.21 0.00 0.00 41 P 0.00 4.06 0.00 2.17 2.06 0.00 3.60 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 2.12 2.21 0.00 42 A 8.00 3.96 1.32 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 0.00 0.00 0.00 43 I 7.91 3.62 2.07 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 1.80 0.78 0.93 0.00 0.00 44 R 8.26 4.07 0.00 2.04 1.98 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 45 G 7.91 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 46 M 8.25 4.10 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.59 0.00 47 I 7.86 3.77 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 1.79 1.05 0.92 0.00 0.00 48 N 8.15 4.90 0.00 2.90 3.13 0.00 0.00 7.13 7.83 0.00 0.00 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 A 7.86 4.32 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.56 4.35 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 0.95 0.00 0.00 1.08 0.00 0.00 51 S 7.85 4.18 0.00 3.73 3.78 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 0.00 0.00 0.00 52 F 8.52 4.11 0.00 2.91 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.23 4.26 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.54 0.00 54 V 7.70 4.91 2.19 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 0.73 0.00 0.00 1.02 0.00 0.00 55 K 8.71 4.44 0.00 1.81 1.65 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.36 7.81 56 V 7.89 5.02 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 1.08 0.00 0.00 0.92 0.00 0.00 57 E 8.04 4.83 0.00 1.98 1.71 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 2.16 2.17 0.00 58 E 8.88 4.37 0.00 2.14 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 2.17 2.20 0.00