NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5298 8.3344 116.7944 58.4505 63.3567 172.6376 2 T 4.0461 8.0357 117.7528 63.8682 67.5438 172.5731 3 I 3.4372 7.7529 126.5301 61.5610 35.5963 174.6210 4 E 4.0194 8.2600 116.7384 59.4507 30.6174 178.4620 5 E 3.9933 8.3423 119.3071 59.4886 29.2666 179.6352 6 R 3.9516 8.0149 116.2369 59.1692 30.6266 178.8906 7 V 3.9429 8.5222 112.7921 63.1205 31.9203 177.1833 8 K 4.5414 9.1348 117.8519 55.1355 30.7493 180.3000 9 K 3.5739 8.8458 124.2561 57.9694 34.1153 174.1893 10 I 4.4602 7.3763 123.4113 62.0542 40.2772 173.1727 11 I 3.2934 9.2729 125.2305 61.6230 36.5369 175.2032 12 G 3.8451 8.5315 109.3656 44.4436 0.0000 177.3029 13 E 3.5119 9.8153 120.2278 57.6393 29.0392 175.3255 14 Q 3.4223 7.8943 113.0044 56.9439 28.0032 174.2606 15 L 4.1587 8.4779 120.3786 57.5604 43.1596 176.9654 16 G 2.4516 7.1390 107.9024 42.6444 0.0000 171.3154 17 V 4.2852 7.3744 120.8583 59.8135 34.1700 178.2126 18 K 4.3954 8.3460 125.4490 56.1490 31.3621 178.1919 19 Q 4.0553 7.8848 117.4549 59.3144 29.5642 178.7915 20 E 4.1122 7.9700 117.0854 58.1999 29.8491 177.3275 21 E 3.8021 8.2229 112.2715 56.8986 28.3539 173.8291 22 V 4.4076 7.4421 116.7806 61.6268 34.2360 175.3940 23 T 4.7738 8.3274 120.0827 62.3190 69.1268 175.3319 24 N 4.3206 8.8011 120.7547 56.1486 37.2411 175.6263 25 N 4.2713 8.4518 116.0912 56.3218 39.0011 174.8423 26 A 4.2794 7.7219 119.8733 51.9440 19.4061 176.9601 27 S 5.1740 8.1682 119.6530 57.1039 65.5683 173.3103 28 F 4.5244 9.1877 119.5202 61.0344 39.2117 176.0173 29 V 4.7704 6.9255 115.8713 61.7494 31.9397 170.7317 30 E 4.4684 7.2752 120.6020 56.6932 32.0631 175.5552 31 D 4.6079 8.2170 115.9366 54.0573 41.2403 175.9149 32 L 4.6521 8.7915 115.9260 54.8538 41.1447 177.7849 33 G 4.6563 8.7602 119.1208 47.0618 0.0000 174.2803 34 A 3.6470 7.4036 122.9964 50.8002 17.5320 175.2739 35 D 4.7434 8.0621 116.9374 53.0694 42.2646 176.4940 36 S 4.0035 8.4154 122.0816 61.2899 62.5043 176.0233 37 L 4.0248 7.8350 122.1593 58.9455 40.1227 178.0706 38 D 4.3890 8.0520 118.1938 57.5325 41.0922 177.9737 39 T 4.1091 7.7101 115.5181 66.9771 68.5931 176.5878 40 V 3.5778 7.9213 119.5640 66.1894 31.6211 177.7210 41 E 3.9435 8.5655 119.3349 59.1072 29.4474 178.4547 42 L 4.0408 8.3695 120.7815 57.6270 42.1684 179.1063 43 V 3.9099 8.7268 119.6169 64.5888 31.4075 178.0180 44 M 3.9805 8.8120 119.8428 58.3768 31.8044 178.0030 45 A 3.9169 8.5484 121.1204 55.3646 18.5300 179.6883 46 L 3.8350 8.5958 117.9832 59.9688 40.3824 178.7906 47 E 3.7032 8.7576 119.2590 59.0745 29.5060 178.6086 48 E 3.9046 8.2967 120.3237 59.5534 30.1439 178.8981 49 E 4.0021 8.1885 117.4794 58.7593 29.5317 178.4884 50 F 4.9184 8.5813 115.8204 56.1930 40.2643 175.1649 51 D 4.4568 8.7309 117.8214 54.2446 38.3794 172.1328 52 T 4.6575 7.5953 111.3548 62.0338 70.7841 171.0784 53 E 4.7878 8.5834 120.4253 54.7380 32.7783 175.8496 54 I 5.0432 7.7959 121.8007 57.9808 39.0425 173.3002 55 P 4.2714 0.0000 0.0000 62.9589 32.0185 177.0376 56 D 4.6052 8.4501 118.4174 54.9672 41.3943 178.3061 57 E 3.9929 8.0573 120.8563 58.6525 30.2182 177.3319 58 E 4.1986 8.0201 115.8385 58.4374 29.9413 178.5268 59 A 3.6232 8.0729 123.2252 54.8622 18.4080 178.8826 60 E 3.7647 8.3655 113.4671 57.1200 29.0300 173.9340 61 K 3.5911 8.1847 113.5717 56.2275 29.6232 174.4527 62 I 3.7024 7.4033 119.6267 62.1120 36.9886 176.2464 63 T 4.1427 8.3128 114.3796 62.0907 68.7986 175.6582 64 T 3.7622 8.3479 116.9616 63.9978 67.0332 171.5557 65 V 4.4560 7.2704 121.6621 62.7121 31.6780 179.1938 66 Q 4.0584 9.3299 121.0352 58.1195 28.0955 177.4226 67 A 4.1437 7.9091 121.3407 54.6617 19.3057 178.8679 68 A 4.1297 8.1162 118.7393 56.2145 18.3540 178.9850 69 I 3.6420 8.3684 118.3709 64.3617 37.0536 177.6121 70 D 4.3197 9.0395 118.9993 58.0163 41.1415 178.3649 71 Y 4.2113 8.7324 120.2626 61.0156 38.7107 178.2449 72 I 2.8729 8.0501 120.7765 64.3497 36.8665 177.5985 73 N 4.1962 8.4115 116.4158 56.8209 38.4874 177.0886 74 G 3.8223 8.5585 107.5743 48.8613 0.0000 173.7791 75 H 4.0636 8.2193 120.6751 53.6551 30.1145 175.0161 76 Q 4.0999 9.2780 121.3817 56.6512 30.3967 173.6747 77 A 4.2038 8.0466 123.8081 52.6206 19.2965 176.0917 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 S 8.33 4.53 0.00 3.53 3.29 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 0.00 0.00 0.00 0.00 2 T 8.04 4.05 4.29 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 0.00 0.00 0.00 1.37 0.00 0.00 3 I 7.75 3.44 1.79 0.00 0.00 0.74 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 0.23 0.79 0.00 0.00 4 E 8.26 4.02 0.00 2.12 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 0.00 2.36 2.27 0.00 5 E 8.34 3.99 0.00 2.06 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 0.00 2.42 2.44 0.00 6 R 8.01 3.95 0.00 1.68 1.67 0.00 3.28 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 7 V 8.52 3.94 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 0.86 0.00 0.00 1.30 0.00 0.00 8 K 9.13 4.54 0.00 2.01 0.78 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.62 7.81 9 K 8.85 3.57 0.00 1.69 2.06 0.00 1.76 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.46 7.81 10 I 7.38 4.46 1.98 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 0.65 0.91 0.00 0.00 11 I 9.27 3.29 1.84 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.72 0.67 0.00 0.00 12 G 8.53 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 0.00 0.00 0.00 13 E 9.82 3.51 0.00 2.28 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 2.19 2.22 0.00 14 Q 7.89 3.42 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 15 L 8.48 4.16 0.00 1.47 1.63 1.03 1.20 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 16 G 7.14 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.37 4.29 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 0.95 0.00 0.00 0.94 0.00 0.00 18 K 8.35 4.40 0.00 2.02 2.06 0.00 1.41 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.53 7.81 19 Q 7.88 4.06 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.05 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 20 E 7.97 4.11 0.00 2.00 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 2.34 2.27 0.00 21 E 8.22 3.80 0.00 2.22 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 2.18 2.34 0.00 22 V 7.44 4.41 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.99 0.00 0.00 23 T 8.33 4.77 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 24 N 8.80 4.32 0.00 2.93 3.01 0.00 0.00 6.00 8.19 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 25 N 8.45 4.27 0.00 2.71 2.92 0.00 0.00 6.95 7.96 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 26 A 7.72 4.28 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 27 S 8.17 5.17 0.00 3.81 4.06 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 0.00 0.00 0.00 0.00 28 F 9.19 4.52 0.00 2.98 3.12 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 0.00 0.00 0.00 29 V 6.93 4.77 2.23 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 0.76 0.00 0.00 0.96 0.00 0.00 30 E 7.28 4.47 0.00 1.86 1.83 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 0.00 2.13 2.06 0.00 31 D 8.22 4.61 0.00 2.64 2.63 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 32 L 8.79 4.65 0.00 1.73 1.70 0.92 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.76 4.66 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 0.00 0.00 0.00 34 A 7.40 3.65 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 35 D 8.06 4.74 0.00 2.78 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.42 4.00 0.00 3.91 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 37 L 7.83 4.02 0.00 1.89 1.93 1.05 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.05 4.39 0.00 3.07 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 39 T 7.71 4.11 4.27 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 0.89 0.00 0.00 40 V 7.92 3.58 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.95 0.00 0.00 41 E 8.57 3.94 0.00 2.07 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 2.31 2.47 0.00 42 L 8.37 4.04 0.00 1.96 1.88 0.50 0.68 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 43 V 8.73 3.91 2.28 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 0.93 0.00 0.00 1.01 0.00 0.00 44 M 8.81 3.98 0.00 2.04 2.33 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.59 0.00 45 A 8.55 3.92 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 46 L 8.60 3.83 0.00 0.37 1.35 0.14 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.76 3.70 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 48 E 8.30 3.90 0.00 1.98 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 0.00 2.30 2.36 0.00 49 E 8.19 4.00 0.00 1.23 1.68 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 2.37 2.23 0.00 50 F 8.58 4.92 0.00 3.12 2.77 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 51 D 8.73 4.46 0.00 2.90 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.60 4.66 4.28 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 1.34 0.00 0.00 53 E 8.58 4.79 0.00 1.95 1.79 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 2.19 2.31 0.00 54 I 7.80 5.04 1.70 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.88 0.23 0.00 0.00 55 P 0.00 4.27 0.00 2.27 1.98 0.00 3.99 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 56 D 8.45 4.61 0.00 2.67 2.65 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 57 E 8.06 3.99 0.00 1.91 1.95 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 2.28 2.29 0.00 58 E 8.02 4.20 0.00 2.44 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 0.00 2.30 1.61 0.00 59 A 8.07 3.62 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 60 E 8.37 3.76 0.00 2.26 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 2.23 2.38 0.00 61 K 8.18 3.59 0.00 1.90 1.80 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.42 7.81 62 I 7.40 3.70 1.85 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.61 1.02 0.00 0.00 63 T 8.31 4.14 4.21 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 1.29 0.00 0.00 64 T 8.35 3.76 4.12 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 0.00 0.00 1.56 0.00 0.00 65 V 7.27 4.46 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 1.20 0.00 0.00 1.26 0.00 0.00 66 Q 9.33 4.06 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.68 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 67 A 7.91 4.14 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.12 4.13 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 69 I 8.37 3.64 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.01 0.98 0.00 0.00 70 D 9.04 4.32 0.00 2.83 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 71 Y 8.73 4.21 0.00 3.32 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 72 I 8.05 2.87 1.53 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 -0.30 -0.32 0.00 0.00 73 N 8.41 4.20 0.00 2.72 2.80 0.00 0.00 6.98 8.20 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 74 G 8.56 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 0.00 0.00 0.00 75 H 8.22 4.06 0.00 2.50 2.83 0.00 5.78 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 9.28 4.10 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.53 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 77 A 8.05 4.20 1.26 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 0.00 0.00 0.00