NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5129 8.3044 120.3268 55.5157 33.7304 173.7508 2 Q 4.4050 8.4505 121.9815 56.2735 34.4768 175.0123 3 L 4.0683 7.8769 116.7610 57.6700 43.0518 178.9045 4 V 3.7862 7.6919 118.5752 64.2645 31.6218 178.1259 5 L 3.9136 7.8634 120.6542 57.8899 41.8396 178.5524 6 A 4.1919 8.0122 120.1476 54.9213 18.3921 179.1042 7 A 4.0677 7.6421 117.3428 54.2751 18.3491 179.7944 8 K 3.8532 7.7277 117.6169 59.2346 31.8936 178.8526 9 Y 4.2493 7.4740 116.4994 60.6730 37.6596 177.8201 10 I 3.8775 7.6816 121.0238 64.2788 36.6964 178.6349 11 G 3.3496 8.1522 105.8487 47.0915 0.0000 175.5756 12 A 4.1974 7.5716 122.8747 54.6158 18.3453 179.4946 13 G 3.4530 7.7700 102.9851 46.8589 0.0000 175.3468 14 I 4.1371 7.2632 121.7460 63.2199 37.1851 177.6147 15 S 4.3631 7.7409 113.4361 60.2267 63.0136 175.9776 16 T 3.7606 7.3466 112.3653 64.2565 68.6721 176.7829 17 I 3.8991 7.7052 123.2052 63.8960 36.8667 177.6841 18 G 3.8739 7.4513 104.1250 45.8433 0.0000 174.4818 19 L 4.4486 7.6096 120.6871 55.1015 41.9611 178.3634 20 L 4.1479 7.7983 121.2776 57.4989 41.6397 179.3982 21 G 3.6612 8.1836 105.0467 47.1313 0.0000 174.9690 22 A 4.4070 7.8829 122.7559 53.7654 18.7220 179.8825 23 G 3.5146 7.8044 104.1286 48.2332 0.0000 175.9705 24 I 3.8434 7.9273 123.1037 63.3704 37.3914 178.3817 25 G 3.9852 7.9734 107.5852 47.5610 0.0000 175.5983 26 I 3.8941 7.7790 121.9278 63.3305 37.0555 178.5808 27 A 4.0275 7.5237 121.5699 55.3390 18.3522 179.7504 28 I 3.6946 7.7067 118.1103 64.5200 36.9461 178.8961 29 V 3.6148 7.5348 117.6702 65.9981 31.3148 177.5436 30 F 4.0252 8.5785 120.1863 60.8851 39.2364 177.2111 31 A 4.1136 8.6677 120.8123 54.9562 18.0986 179.4664 32 A 3.9717 8.0267 119.4496 55.1776 18.4440 179.6078 33 L 3.8689 7.6144 118.5808 58.1790 42.2020 179.3509 34 I 3.8040 7.5563 119.5799 64.1697 37.0315 177.3538 35 N 4.6651 8.1534 116.3017 55.3230 39.1397 176.9275 36 G 3.7486 7.8881 107.4192 48.0033 0.0000 176.4688 37 V 3.8086 7.7432 114.8800 63.4193 31.3158 177.8678 38 S 4.4641 7.4304 111.7573 58.9167 62.9631 174.3066 39 R 4.5614 7.5974 120.2907 56.0981 32.0876 175.5021 40 N 4.9638 7.5036 113.8616 52.2619 40.6535 172.6202 41 P 4.3561 0.0000 0.0000 65.3082 31.9386 178.6410 42 S 4.1043 8.0943 112.9120 61.4978 62.2576 175.4254 43 I 4.0468 7.2040 125.6142 60.7250 35.5354 174.6984 44 K 4.4152 8.3319 123.4863 58.1454 34.0297 177.8761 45 D 4.5681 8.0716 114.2582 54.9854 39.9443 176.9098 46 T 4.4532 7.8908 117.7382 64.4312 71.2104 176.2306 47 V 3.9403 7.6604 119.4688 64.7136 31.6655 177.6738 48 F 3.8436 8.2533 121.0332 60.5331 38.8510 175.3235 49 P 4.4004 0.0000 0.0000 66.2435 31.3539 178.2947 50 M 4.0800 7.6332 113.6500 57.6980 30.8656 178.2835 51 A 3.8903 7.8140 121.2693 55.1672 18.8879 179.3684 52 I 3.7968 7.4770 118.2036 64.3772 36.9498 178.6372 53 L 4.1720 7.7005 119.7176 57.7787 41.4582 179.7865 54 G 3.7506 8.1310 105.1498 47.1481 0.0000 175.6839 55 F 4.2428 8.0874 122.7093 61.4983 39.3104 177.1476 56 A 3.7600 8.0140 118.2064 54.8443 18.3541 179.1190 57 L 4.0641 7.5610 116.5484 57.7394 40.6090 179.0699 58 S 4.2218 7.9941 112.2188 60.0106 62.6153 175.3008 59 E 3.7577 8.1507 121.7151 57.9470 29.1303 178.1778 60 A 3.6572 7.3351 121.0707 55.7094 18.0485 179.7058 61 T 4.0991 7.5737 108.1710 64.3324 68.4679 175.6767 62 G 3.7315 7.5799 106.0500 45.0736 0.0000 174.4007 63 L 4.4444 7.6655 121.0514 56.3656 43.1367 178.4480 64 F 4.3456 7.4872 116.9397 61.1312 38.7895 177.5399 65 C 4.3071 7.6014 114.0682 62.2894 28.1884 175.5956 66 L 4.0788 7.7630 122.0198 58.1576 41.8854 178.5056 67 M 4.4880 8.3764 118.8892 58.1634 31.6761 178.8248 68 V 3.6955 7.6138 117.8936 65.8464 31.7979 177.9246 69 S 4.1650 7.5999 113.5389 61.3174 62.9011 176.4848 70 F 4.5606 7.8592 120.6849 59.7911 38.7591 176.5336 71 L 4.4544 7.9064 117.0807 54.9653 41.1956 177.7365 72 L 4.7636 7.7198 117.3632 53.8821 43.9482 176.7707 73 L 4.3166 7.9818 115.9658 55.8223 43.5498 177.4152 74 F 5.1860 8.2308 113.3436 56.8647 41.0303 175.3785 75 G 3.8538 8.2258 107.3819 44.7271 0.0000 173.4461 76 V 3.6727 5.4500 122.0604 63.3055 33.0307 170.6888 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 8.30 4.51 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 Q 8.45 4.40 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.28 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 3 L 7.88 4.07 0.00 1.65 1.71 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 4 V 7.69 3.79 2.06 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 0.83 0.00 0.00 0.90 0.00 0.00 5 L 7.86 3.91 0.00 1.75 1.86 0.86 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.01 4.19 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.64 4.07 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 8 K 7.73 3.85 0.00 1.33 1.76 0.00 1.40 0.00 0.00 1.46 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.56 7.81 9 Y 7.47 4.25 0.00 2.99 2.88 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 0.00 0.00 0.00 10 I 7.68 3.88 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 1.49 1.09 0.92 0.00 0.00 11 G 8.15 3.35 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 0.00 12 A 7.57 4.20 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 13 G 7.77 3.45 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 14 I 7.26 4.14 1.86 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 1.57 0.97 0.90 0.00 0.00 15 S 7.74 4.36 0.00 4.06 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 16 T 7.35 3.76 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 1.22 0.00 0.00 17 I 7.71 3.90 1.97 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 1.45 0.72 0.91 0.00 0.00 18 G 7.45 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.61 4.45 0.00 1.86 1.70 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.80 4.15 0.00 1.65 1.72 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.18 3.66 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 22 A 7.88 4.41 1.29 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 0.00 0.00 23 G 7.80 3.51 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 0.00 0.00 0.00 24 I 7.93 3.84 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 1.46 1.07 0.92 0.00 0.00 25 G 7.97 3.99 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 0.00 0.00 0.00 26 I 7.78 3.89 2.10 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.86 1.29 0.00 0.00 27 A 7.52 4.03 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 28 I 7.71 3.69 2.01 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 1.43 1.28 0.93 0.00 0.00 29 V 7.53 3.61 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 0.81 0.00 0.00 1.02 0.00 0.00 30 F 8.58 4.03 0.00 3.30 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 31 A 8.67 4.11 1.45 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 32 A 8.03 3.97 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.61 3.87 0.00 1.48 1.53 0.81 0.19 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 34 I 7.56 3.80 2.08 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.04 0.96 0.00 0.00 35 N 8.15 4.67 0.00 2.73 2.85 0.00 0.00 7.22 8.14 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 36 G 7.89 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.74 3.81 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 0.94 0.00 0.00 1.07 0.00 0.00 38 S 7.43 4.46 0.00 3.95 3.91 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 39 R 7.60 4.56 0.00 1.84 2.03 0.00 3.30 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 40 N 7.50 4.96 0.00 2.91 2.63 0.00 0.00 6.77 7.59 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 41 P 0.00 4.36 0.00 2.22 2.19 0.00 3.84 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 42 S 8.09 4.10 0.00 3.85 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 7.20 4.05 1.88 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 1.19 0.92 0.92 0.00 0.00 44 K 8.33 4.42 0.00 1.90 1.73 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.75 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.48 7.81 45 D 8.07 4.57 0.00 2.69 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 46 T 7.89 4.45 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 47 V 7.66 3.94 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 1.00 0.00 0.00 0.94 0.00 0.00 48 F 8.25 3.84 0.00 3.25 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 49 P 0.00 4.40 0.00 2.35 2.36 0.00 3.77 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 50 M 7.63 4.08 0.00 2.31 2.36 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.69 0.00 51 A 7.81 3.89 1.07 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 0.00 0.00 0.00 0.00 0.00 52 I 7.48 3.80 2.04 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.21 0.98 0.00 0.00 53 L 7.70 4.17 0.00 1.90 1.74 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.13 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.09 4.24 0.00 3.15 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 56 A 8.01 3.76 1.29 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 0.00 0.00 57 L 7.56 4.06 0.00 1.90 1.72 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.99 4.22 0.00 3.92 3.83 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 0.00 0.00 0.00 59 E 8.15 3.76 0.00 1.28 1.61 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 1.93 2.11 0.00 60 A 7.34 3.66 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 61 T 7.57 4.10 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 1.28 0.00 0.00 62 G 7.58 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.67 4.44 0.00 1.25 1.42 0.69 1.12 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 64 F 7.49 4.35 0.00 3.09 3.01 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 0.00 0.00 0.00 65 C 7.60 4.31 0.00 2.83 3.24 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 0.00 66 L 7.76 4.08 0.00 1.92 1.83 0.89 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 67 M 8.38 4.49 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.66 0.00 68 V 7.61 3.70 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 0.85 0.00 0.00 1.02 0.00 0.00 69 S 7.60 4.17 0.00 3.98 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 70 F 7.86 4.56 0.00 3.33 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 71 L 7.91 4.45 0.00 1.90 1.71 0.98 0.53 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 72 L 7.72 4.76 0.00 1.57 1.73 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.98 4.32 0.00 1.13 0.91 0.77 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.23 5.19 0.00 3.18 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 75 G 8.23 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 76 V 5.45 3.67 2.06 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 0.67 0.00 0.00 0.92 0.00 0.00