NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3286 8.1744 110.9438 61.2732 70.5763 173.5195 6 N 4.7586 7.9785 119.6022 53.1599 39.1948 173.0039 7 S 4.4699 8.7306 113.3321 57.5952 64.7292 173.2037 8 D 4.8101 8.5629 121.8431 54.8749 41.8553 175.3205 9 F 5.3486 7.9326 114.0880 55.5285 41.4823 173.9129 10 V 4.6205 8.8558 112.4986 59.5661 35.3343 174.7840 11 V 4.8618 8.5583 122.9964 61.2848 34.1403 174.4402 12 I 4.9426 9.0053 128.2623 59.3785 40.9645 174.0305 13 K 5.0764 9.1730 128.7561 54.2103 34.6551 174.9772 14 A 4.4331 8.6933 130.2569 52.2384 19.1351 177.4556 15 L 4.7069 8.9390 122.4886 54.6674 42.4226 176.0210 16 E 4.6628 7.5936 115.4902 55.2022 32.0563 174.4715 17 D 4.4888 8.3903 119.4744 55.5348 41.4177 176.9111 18 G 3.8648 8.0757 108.0122 45.7416 0.0000 173.8926 19 V 3.9072 7.5403 119.3764 62.7805 32.9319 174.6241 20 N 5.3208 9.0411 124.2992 51.5154 41.5322 173.6413 21 V 4.3822 8.7438 125.3909 61.6568 33.0369 174.3951 22 I 4.4621 8.7384 130.5179 59.4487 39.2617 175.2676 23 G 4.0769 8.8619 115.7285 45.4495 0.0000 172.5760 24 L 5.5079 8.8939 126.2612 53.2354 44.2350 176.2629 25 T 4.6642 8.7560 113.5717 61.5777 69.4757 174.4763 26 R 4.4248 7.8973 125.5338 57.1308 29.8800 174.8253 27 G 3.7408 8.8432 108.7530 44.1207 0.0000 173.9508 28 A 4.1328 8.6725 120.9680 54.3161 18.6348 177.5868 29 D 4.8262 7.2755 112.1411 53.0901 42.6117 176.1932 30 T 4.7114 8.2993 122.2204 61.6194 69.9641 172.8247 31 R 4.7615 8.9408 122.5092 53.8527 34.0292 174.2371 32 F 5.2486 8.7149 118.4067 57.9679 38.9007 175.4610 33 H 4.9362 8.7672 118.5326 56.4734 30.4797 174.3965 34 H 4.5769 7.4649 115.8358 55.2959 33.1511 172.4228 35 S 4.8656 8.3658 121.0993 56.5841 65.3739 172.9163 36 E 4.2980 8.9129 127.2496 54.8728 30.7551 174.8032 37 K 4.7466 8.5846 128.9501 55.7906 33.5320 175.5855 38 L 4.9926 9.0723 127.3033 53.1537 44.9970 175.7817 39 D 5.0785 9.0468 122.8655 52.2343 43.5451 176.0201 40 K 4.0888 9.2938 122.3157 58.4925 32.3524 176.9969 41 G 4.0458 8.9322 115.3924 45.1475 0.0000 173.6047 42 E 4.2255 8.1617 119.6251 56.3155 30.7375 176.0468 43 V 4.8839 8.3098 122.3379 60.9958 34.2496 174.2532 44 L 4.7364 9.0653 129.5818 53.2518 44.8904 174.7992 45 I 5.0102 8.4632 126.5292 59.5987 39.0842 174.7635 46 A 4.6994 9.0613 129.2895 50.1211 22.0339 175.3810 47 Q 4.8252 8.6174 120.7290 54.9495 30.4634 175.7403 48 F 4.6417 8.6394 120.4059 58.0080 39.8321 175.2801 49 T 4.7023 8.5271 111.3113 60.1253 71.9059 172.9615 50 E 4.0166 8.9909 121.0897 59.6479 29.6606 177.5879 51 H 4.5316 8.1870 114.1608 56.6411 29.7946 174.2769 52 T 5.7119 8.3662 116.7311 60.9278 71.1093 174.5247 53 S 4.9475 9.0362 119.5303 58.0128 65.0166 173.2521 54 A 5.1580 7.9207 121.5471 51.0865 22.6366 175.1793 55 I 5.0049 8.5444 120.7746 59.3916 40.8552 174.6262 56 K 4.5766 8.9110 128.2073 54.5222 34.6599 174.6734 57 V 4.7643 8.4177 126.8510 61.3004 33.3383 174.5874 58 R 4.5386 9.0877 127.4326 55.6430 32.8853 177.3070 59 G 4.2205 8.8419 109.7588 44.5580 0.0000 172.1429 60 K 4.6855 8.8475 117.8938 55.6645 33.3657 176.5770 61 A 4.9967 8.7182 124.7820 51.1432 23.4088 173.9592 62 Y 5.0226 9.1808 122.2356 55.9525 41.3258 174.5843 63 I 4.8877 8.2988 127.0824 59.4930 40.9909 174.2714 64 Q 5.0392 8.8359 125.9489 54.3588 31.8122 174.9440 65 T 4.8910 8.7002 112.8298 59.7791 72.4550 174.4918 66 R 3.7963 8.5742 120.4031 59.3072 29.9293 176.5759 67 H 4.7171 7.9892 112.7341 55.1775 29.6433 174.0070 68 G 3.8080 7.0409 106.0741 44.0300 0.0000 173.1896 69 V 4.8474 7.9202 112.7306 59.9870 35.0437 174.9768 70 I 4.4634 8.1527 120.8910 60.2610 41.9764 172.7631 71 E 5.7593 8.8877 125.7217 53.6428 32.0149 176.2402 72 S 4.5578 8.6793 118.8987 58.2486 64.9254 172.7832 73 E 4.9544 8.6380 119.3968 54.5884 33.5240 176.2009 74 G 3.7301 8.5846 109.2405 45.8179 0.0000 173.7679 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 5 T 8.17 4.33 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 6 N 7.98 4.76 0.00 2.78 2.83 0.00 0.00 7.12 6.75 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 7 S 8.73 4.47 0.00 4.11 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 8 D 8.56 4.81 0.00 2.75 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.93 5.35 0.00 2.92 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 10 V 8.86 4.62 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 0.61 0.00 0.00 0.83 0.00 0.00 11 V 8.56 4.86 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 1.16 0.00 0.00 1.17 0.00 0.00 12 I 9.01 4.94 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.44 0.90 0.00 0.00 13 K 9.17 5.08 0.00 1.88 1.84 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.40 7.81 14 A 8.69 4.43 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 15 L 8.94 4.71 0.00 1.62 1.72 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.59 4.66 0.00 2.03 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 2.36 2.31 0.00 17 D 8.39 4.49 0.00 2.69 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 18 G 8.08 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 19 V 7.54 3.91 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 0.95 0.00 0.00 1.07 0.00 0.00 20 N 9.04 5.32 0.00 2.58 2.56 0.00 0.00 6.47 7.36 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 21 V 8.74 4.38 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 0.97 0.00 0.00 0.89 0.00 0.00 22 I 8.74 4.46 1.43 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.23 -0.51 0.00 0.00 23 G 8.86 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 0.00 0.00 0.00 24 L 8.89 5.51 0.00 1.90 1.70 1.04 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.76 4.66 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 26 R 7.90 4.42 0.00 1.90 1.96 0.00 3.22 0.00 0.00 3.08 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.84 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.67 4.13 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 29 D 7.28 4.83 0.00 2.60 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.30 4.71 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 1.27 0.00 0.00 31 R 8.94 4.76 0.00 1.84 1.98 0.00 2.79 0.00 0.00 3.45 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 32 F 8.71 5.25 0.00 2.88 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 33 H 8.77 4.94 0.00 3.16 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.46 4.58 0.00 3.26 2.99 0.00 5.80 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.37 4.87 0.00 3.59 3.50 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 0.00 36 E 8.91 4.30 0.00 2.12 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 2.26 2.28 0.00 37 K 8.58 4.75 0.00 1.77 1.67 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.45 7.81 38 L 9.07 4.99 0.00 1.54 1.50 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.05 5.08 0.00 2.78 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 40 K 9.29 4.09 0.00 1.66 1.74 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 41 G 8.93 4.05 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 0.00 0.00 0.00 42 E 8.16 4.23 0.00 2.07 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 2.32 2.25 0.00 43 V 8.31 4.88 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 0.79 0.00 0.00 0.96 0.00 0.00 44 L 9.07 4.74 0.00 1.72 1.44 0.89 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 45 I 8.46 5.01 1.72 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.74 0.62 0.00 0.00 46 A 9.06 4.70 1.11 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 47 Q 8.62 4.83 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 48 F 8.64 4.64 0.00 3.00 2.96 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 0.00 0.00 0.00 49 T 8.53 4.70 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 1.26 0.00 0.00 50 E 8.99 4.02 0.00 1.93 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 2.00 2.26 0.00 51 H 8.19 4.53 0.00 3.19 3.20 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.37 5.71 4.37 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 1.40 0.00 0.00 53 S 9.04 4.95 0.00 3.84 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 54 A 7.92 5.16 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.54 5.00 1.85 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.69 0.83 0.00 0.00 56 K 8.91 4.58 0.00 1.84 1.57 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.39 7.81 57 V 8.42 4.76 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 0.85 0.00 0.00 0.90 0.00 0.00 58 R 9.09 4.54 0.00 1.74 1.78 0.00 3.22 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 59 G 8.84 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.85 4.69 0.00 1.70 1.76 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.55 7.81 61 A 8.72 5.00 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 62 Y 9.18 5.02 0.00 3.02 2.85 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 63 I 8.30 4.89 1.85 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 1.16 0.75 0.83 0.00 0.00 64 Q 8.84 5.04 0.00 1.90 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.09 1.90 0.00 65 T 8.70 4.89 4.14 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 1.16 0.00 0.00 66 R 8.57 3.80 0.00 1.59 1.74 0.00 3.12 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 67 H 7.99 4.72 0.00 3.20 3.27 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.04 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 69 V 7.92 4.85 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 0.73 0.00 0.00 1.02 0.00 0.00 70 I 8.15 4.46 1.85 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 1.23 1.33 0.86 0.00 0.00 71 E 8.89 5.76 0.00 1.91 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 2.55 2.32 0.00 72 S 8.68 4.56 0.00 3.95 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 73 E 8.64 4.95 0.00 1.83 1.85 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 2.21 2.30 0.00 74 G 8.58 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