NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8610 8.3549 109.7348 45.1562 0.0000 173.0135 2 E 4.2160 8.3096 119.4558 54.6564 31.3839 170.7252 3 V 4.4276 8.3438 120.0775 61.2076 34.9100 174.5656 4 V 4.4196 8.2191 126.8987 60.8585 33.3614 174.5574 5 L 5.3998 9.0869 124.4442 51.9828 44.8038 175.0890 6 K 5.0242 8.6717 124.4727 54.7526 34.8387 174.2664 7 M 5.6547 8.9554 125.2437 52.2346 33.9986 175.1783 8 K 4.5267 8.9168 123.6486 56.3899 33.4420 176.4048 9 V 4.9953 8.4289 117.5465 59.6888 34.5098 174.9232 10 E 4.7287 8.4918 121.1525 55.9448 31.6059 175.7125 11 G 4.3486 9.4710 113.0901 46.3439 0.0000 174.6560 12 M 4.1486 7.6533 118.8178 55.5647 29.8540 176.2385 13 T 4.6732 7.6245 124.8362 61.6349 68.1834 172.7094 14 C 4.6405 7.2154 114.8201 57.5092 32.8050 174.4920 15 H 4.5292 8.5376 118.5130 58.1510 29.9244 177.2176 16 S 4.1441 7.9736 115.8009 61.6115 62.6088 175.7059 17 C 3.9718 7.9919 118.8077 63.1772 27.7816 176.1951 18 T 3.7103 7.0967 110.2637 64.9694 68.2497 175.9921 19 S 4.0892 8.3977 117.1696 61.0081 62.3346 176.0580 20 T 3.8599 8.3586 118.5080 66.9674 68.2913 176.4727 21 I 3.7364 7.9998 121.5267 64.3809 37.0905 178.1631 22 E 4.0484 8.7373 119.9167 59.4663 29.2544 179.6258 23 G 3.6084 8.5405 105.7372 47.7548 0.0000 175.4005 24 K 3.8974 8.1305 121.9364 59.0706 32.4350 178.6312 25 I 3.9443 8.3947 120.3346 64.4093 36.8567 178.3859 26 G 3.7971 8.2082 105.6393 48.0809 0.0000 175.1533 27 K 4.0477 8.1575 120.8297 58.0177 32.5512 177.3092 28 L 4.1679 7.7717 120.5820 54.1129 42.0960 176.8744 29 Q 4.4863 8.5291 121.8209 55.3862 26.6630 175.9827 30 G 4.7982 7.8673 127.0700 47.0484 0.0000 170.3300 31 V 4.3716 6.9212 120.2953 62.4433 32.4822 175.2040 32 Q 4.6296 8.8340 123.2529 57.0282 31.4793 175.4688 33 R 4.6793 7.7500 116.5199 55.7330 33.9126 173.4253 34 I 4.6715 7.9352 120.5458 60.1275 41.1588 174.7615 35 K 4.5508 9.2060 128.0493 54.8429 33.8254 173.4349 36 V 4.2441 9.5144 122.3684 62.1557 31.9641 175.6442 37 S 4.6846 8.7066 125.2764 57.7775 64.2238 174.0657 38 L 4.5873 8.1548 117.5410 57.8259 42.0776 178.2338 39 D 4.2974 8.2002 117.7360 57.1035 40.7596 177.2901 40 N 4.5802 7.9543 114.2404 53.4251 39.6611 175.7913 41 Q 3.2172 8.1340 113.7754 55.8857 26.4957 172.9842 42 E 5.2181 7.3778 120.2316 54.5520 34.4067 174.0946 43 A 4.9423 9.3123 127.0929 50.4845 22.2112 174.9474 44 T 4.9260 8.9434 120.2777 62.2674 70.8825 174.0726 45 I 4.8315 8.9058 126.8147 59.4868 41.0083 174.5405 46 V 4.8916 9.1178 128.1443 61.3333 33.3899 173.7206 47 Y 5.2426 8.6522 125.7693 55.2258 42.6557 173.9955 48 Q 4.7257 9.1412 121.6773 53.8750 30.2207 173.7221 49 P 4.9553 0.0000 0.0000 61.2451 29.4370 173.7407 50 H 4.5694 8.0773 130.4314 57.9744 34.6969 175.6175 51 L 3.9975 8.0776 117.6729 56.8403 40.5508 176.6546 52 I 4.6120 7.4068 116.2941 58.4281 41.5995 173.2097 53 S 4.6661 7.5529 116.1296 55.1713 67.3121 174.7247 54 V 3.5808 8.5134 121.6822 66.5214 31.0750 177.8122 55 E 3.8812 8.0704 118.0004 59.2664 29.4899 177.9841 56 E 3.8495 7.6386 117.5911 60.3243 29.4968 178.7835 57 M 3.8602 7.8045 117.7096 59.0737 32.0659 178.6977 58 K 3.8623 8.8121 119.1956 59.4582 32.5083 178.6450 59 K 3.7625 8.5701 120.0399 60.0461 31.8345 178.6141 60 Q 3.9793 8.1185 116.7393 59.2581 28.8598 178.3967 61 I 3.8930 8.1615 121.4213 63.9455 37.1980 177.9098 62 E 4.1684 9.1731 120.5589 59.1672 29.2872 179.6071 63 A 3.9734 8.0573 119.4982 55.5336 18.3704 179.1941 64 M 4.0996 7.9993 116.6613 58.2049 32.1426 176.5958 65 G 3.0938 6.8143 111.8299 45.1614 0.0000 173.2085 66 F 4.5466 7.1819 121.1745 55.7023 38.7516 173.0419 67 P 4.4935 0.0000 0.0000 62.8400 32.4304 175.2571 68 A 4.9012 8.1954 122.8779 50.5636 22.5265 176.5154 69 F 4.7557 9.3523 122.3889 55.4611 38.5834 173.6348 70 V 3.9701 7.9986 118.5400 61.4335 31.4778 178.0719 71 K 4.7552 8.3554 129.2919 54.6951 32.2789 176.2921 72 K 4.4219 7.7142 120.5430 55.6710 36.0767 176.0578 73 I 4.9250 7.9638 127.4158 58.3257 35.9847 176.4273 74 E 4.3884 7.4629 127.0950 55.0894 27.6334 176.2290 75 G 3.8114 7.6625 109.8547 45.9418 0.0000 172.4695 76 R 4.0936 8.0810 118.5371 56.7136 29.9120 174.5295 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 G 8.35 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 E 8.31 4.22 0.00 1.90 2.02 0.00 0.00 0.00 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 2.44 0.00 3 V 8.34 4.43 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 0.87 0.00 0.00 0.81 0.00 0.00 4 V 8.22 4.42 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 0.85 0.00 0.00 0.92 0.00 0.00 5 L 9.09 5.40 0.00 1.75 1.67 1.02 0.79 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 6 K 8.67 5.02 0.00 1.86 1.67 0.00 1.55 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.48 7.81 7 M 8.96 5.65 0.00 2.12 2.19 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 2.62 2.39 0.00 8 K 8.92 4.53 0.00 1.93 1.86 0.00 1.54 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.67 7.81 9 V 8.43 5.00 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 0.73 0.00 0.00 0.92 0.00 0.00 10 E 8.49 4.73 0.00 1.96 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 2.39 2.51 0.00 11 G 9.47 4.35 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 M 7.65 4.15 0.00 1.74 1.88 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.21 0.00 13 T 7.62 4.67 4.23 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 1.20 0.00 0.00 14 C 7.22 4.64 0.00 3.05 2.98 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 15 H 8.54 4.53 0.00 3.15 3.33 0.00 5.71 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.97 4.14 0.00 3.92 3.89 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 0.00 0.00 0.00 17 C 7.99 3.97 0.00 2.53 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 0.00 0.00 0.00 18 T 7.10 3.71 4.17 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 1.10 0.00 0.00 19 S 8.40 4.09 0.00 4.00 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 20 T 8.36 3.86 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 21 I 8.00 3.74 2.10 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 1.60 0.66 0.92 0.00 0.00 22 E 8.74 4.05 0.00 2.18 2.02 0.00 0.00 0.00 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 2.35 0.00 23 G 8.54 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 24 K 8.13 3.90 0.00 1.90 1.88 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.54 7.81 25 I 8.39 3.94 1.94 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 1.55 0.85 0.92 0.00 0.00 26 G 8.21 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.16 4.05 0.00 1.88 2.00 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.48 7.81 28 L 7.77 4.17 0.00 1.79 1.53 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 8.53 4.49 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.26 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 30 G 7.87 4.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 6.92 4.37 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 1.00 0.00 0.00 0.94 0.00 0.00 32 Q 8.83 4.63 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.43 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 33 R 7.75 4.68 0.00 1.86 1.73 0.00 3.21 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 34 I 7.94 4.67 1.90 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 1.52 0.95 0.93 0.00 0.00 35 K 9.21 4.55 0.00 1.61 1.65 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.52 7.81 36 V 9.51 4.24 2.15 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 0.63 0.00 0.00 0.93 0.00 0.00 37 S 8.71 4.68 0.00 3.87 3.77 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 38 L 8.15 4.59 0.00 1.67 1.74 0.86 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.20 4.30 0.00 2.65 2.78 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 40 N 7.95 4.58 0.00 2.65 2.78 0.00 0.00 7.20 7.07 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 41 Q 8.13 3.22 0.00 2.22 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.50 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 42 E 7.38 5.22 0.00 2.12 1.72 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 2.28 2.46 0.00 43 A 9.31 4.94 1.21 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 0.00 0.00 44 T 8.94 4.93 4.33 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 1.22 0.00 0.00 45 I 8.91 4.83 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.01 1.05 0.00 0.00 46 V 9.12 4.89 2.20 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 1.02 0.00 0.00 0.95 0.00 0.00 47 Y 8.65 5.24 0.00 3.16 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 48 Q 9.14 4.73 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.15 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 49 P 0.00 4.96 0.00 2.26 2.06 0.00 3.88 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.90 0.00 50 H 8.08 4.57 0.00 3.06 3.34 0.00 5.76 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.08 4.00 0.00 1.72 1.86 0.96 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.41 4.61 1.78 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 1.32 1.20 0.50 0.00 0.00 53 S 7.55 4.67 0.00 3.99 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.51 3.58 2.14 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 0.94 0.00 0.00 1.13 0.00 0.00 55 E 8.07 3.88 0.00 2.10 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 2.35 2.43 0.00 56 E 7.64 3.85 0.00 2.04 1.87 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 2.27 2.43 0.00 57 M 7.80 3.86 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 58 K 8.81 3.86 0.00 1.73 1.92 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.56 7.81 59 K 8.57 3.76 0.00 1.90 1.79 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.49 7.81 60 Q 8.12 3.98 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 61 I 8.16 3.89 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.75 1.00 0.00 0.00 62 E 9.17 4.17 0.00 2.12 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 2.28 2.17 0.00 63 A 8.06 3.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 M 8.00 4.10 0.00 2.05 2.33 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 3.06 0.00 65 G 6.81 3.09 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 66 F 7.18 4.55 0.00 3.13 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 67 P 0.00 4.49 0.00 2.01 2.11 0.00 3.75 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.00 0.00 68 A 8.20 4.90 1.21 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 0.00 0.00 69 F 9.35 4.76 0.00 2.94 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 70 V 8.00 3.97 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 0.84 0.00 0.00 1.00 0.00 0.00 71 K 8.36 4.76 0.00 1.80 1.91 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.66 1.42 7.81 72 K 7.71 4.42 0.00 1.88 1.65 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.55 7.81 73 I 7.96 4.92 1.86 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 1.22 1.50 0.87 0.00 0.00 74 E 7.46 4.39 0.00 1.94 1.87 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 2.22 2.35 0.00 75 G 7.66 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.08 4.09 0.00 1.72 1.72 0.00 3.43 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00