NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1384 8.2644 123.5570 52.4573 18.9968 174.5031 2 D 4.2438 7.5216 124.5211 53.8037 47.3800 175.1410 3 K 4.0864 8.6413 122.7427 58.5027 34.1614 177.1063 4 T 3.9254 7.8939 115.7564 64.3752 68.8044 174.5758 5 I 3.3304 8.4897 129.7795 61.6177 33.9826 172.7201 6 F 4.4299 7.2963 118.0597 54.5355 47.8523 174.3282 7 N 4.2957 8.2958 123.7548 50.2230 39.7315 170.9253 8 D 4.2803 8.6442 125.2945 54.7522 42.6808 173.2399 9 H 4.5200 8.6821 119.5814 55.6191 27.9889 175.3175 10 L 4.0842 8.5146 120.9202 56.0610 41.7042 177.3517 11 N 4.0974 8.8168 113.4800 54.5586 35.6064 174.3712 12 T 3.3608 8.1905 116.5125 62.8611 67.2084 171.1855 13 N 3.9934 7.8444 126.8357 53.0446 37.0561 172.6593 14 P 4.2230 0.0000 0.0000 65.2916 31.5330 177.8976 15 K 3.8631 8.0703 117.7435 59.9856 32.0533 178.7992 16 T 3.9252 7.7973 115.3667 66.6573 68.4215 176.4672 17 N 4.3619 8.2555 118.4820 56.0588 38.4490 177.2316 18 L 4.0057 8.6044 122.1078 58.3467 42.2093 179.2988 19 R 3.9789 8.0119 117.9558 59.1731 29.8993 179.0928 20 L 4.0427 8.1242 118.7979 57.4640 41.5612 179.2801 21 W 4.1201 8.6093 128.5773 60.6652 30.6914 178.1542 22 V 3.5952 8.3487 118.1932 65.8103 30.9025 177.7741 23 A 4.0218 8.5499 120.9267 55.3014 18.2264 179.6672 24 F 3.8479 8.5701 116.4480 60.6125 38.8909 177.7027 25 Q 3.7903 8.1878 119.3759 59.3949 28.7561 178.3362 26 M 4.0161 8.3619 119.9774 58.7959 31.9708 178.4756 27 M 4.0025 8.3271 119.2197 58.3092 32.1934 178.7668 28 K 3.9612 8.3857 119.9654 59.7878 32.4720 178.8197 29 G 3.5888 8.2909 106.2323 47.5505 0.0000 175.4492 30 A 4.0836 8.5078 123.3486 54.9092 18.6513 179.3211 31 G 3.6320 8.3874 104.5346 47.9415 0.0000 175.2740 32 W 4.0830 8.5992 129.3499 59.9996 30.9201 178.0289 33 A 4.0990 8.5376 119.9778 55.4904 17.9708 179.7701 34 G 3.6568 8.3547 102.4455 47.7044 0.0000 175.7158 35 G 3.6232 8.4573 108.6091 47.4973 0.0000 175.8981 36 V 3.4415 7.9460 121.4730 65.5459 31.6161 177.5670 37 F 4.2861 8.3700 120.5320 61.5437 39.2039 177.0129 38 F 4.1590 8.9285 117.0488 60.6429 38.8279 177.7677 39 G 3.5922 8.5024 105.7488 48.1268 0.0000 175.6534 40 T 3.7863 8.1100 118.5572 65.9331 68.6338 176.5012 41 L 3.8226 7.6593 120.6397 58.0629 41.6643 179.9466 42 L 3.8619 7.6865 118.4109 58.1079 41.5685 178.7870 43 L 3.9410 8.1253 121.0743 57.9582 41.9049 178.8915 44 I 3.8898 8.5770 113.4973 63.8429 37.6826 178.5206 45 G 3.5332 8.1298 107.5312 47.6462 0.0000 175.5206 46 F 3.9639 8.3243 124.0311 60.5208 39.4300 177.0864 47 F 4.1725 8.6960 120.4283 61.4557 39.2258 177.4249 48 R 4.0004 8.5248 118.4252 58.9340 29.8147 179.5235 49 V 3.4524 7.8003 119.0219 64.9072 31.3715 178.7908 50 V 3.4556 7.3949 118.4629 65.0110 31.3844 177.4586 51 G 3.4845 7.8538 107.0788 48.7169 0.0000 175.1312 52 R 3.9721 7.7416 118.7553 56.4198 30.3565 176.8427 53 M 3.1582 7.6626 116.1378 55.7949 29.8432 178.0817 54 L 3.8949 8.3282 120.9740 57.7201 42.0681 175.1277 55 P 4.1402 0.0000 0.0000 63.5321 29.9353 174.6211 56 I 3.1383 8.5639 128.5611 61.7389 36.0683 171.2802 57 Q 3.5422 8.4027 119.8271 52.4685 26.6025 174.1756 58 E 3.8791 8.8441 123.5413 56.3391 28.7933 174.1870 59 N 5.1866 7.8225 117.0170 55.1715 45.7800 174.2917 60 Q 4.2943 7.2657 118.6326 54.3752 31.7710 176.7079 61 A 4.3469 8.5556 128.5363 51.7827 21.4855 175.4865 62 P 4.2465 0.0000 0.0000 64.8536 31.4279 176.9543 63 A 4.1466 7.6992 121.6243 51.2230 18.8167 176.5419 64 P 4.0842 0.0000 0.0000 64.0291 29.5818 174.9230 65 N 4.2522 7.9465 114.4637 50.0286 38.0559 175.6796 66 I 3.4777 8.5278 125.4741 61.2009 36.1671 175.4961 67 T 4.3479 7.5288 108.1416 61.6340 69.9042 172.8977 68 G 4.0094 8.5535 113.7043 43.7233 0.0000 172.8546 69 A 4.2161 8.5047 129.9953 51.3047 22.9495 177.6199 70 L 4.3407 7.5462 112.9690 55.0477 41.3723 173.8475 71 E 4.1206 9.1911 123.6475 59.5240 30.0254 177.2953 72 H 4.5254 8.2267 114.7613 55.2269 30.7716 171.4840 73 H 3.7699 8.7924 121.8643 55.8303 26.6220 173.9084 74 H 4.9750 8.1016 118.0145 53.9596 31.4474 173.1896 75 H 4.5837 8.4005 118.9269 55.8587 30.3451 172.2509 76 H 4.3602 8.9719 125.1101 56.3736 29.3145 175.6395 77 H 4.3863 8.2836 120.2306 56.2645 28.4848 174.4007 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 A 8.26 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 D 7.52 4.24 0.00 2.60 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.64 4.09 0.00 1.76 1.82 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.48 7.81 4 T 7.89 3.93 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 1.25 0.00 0.00 5 I 8.49 3.33 1.96 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 0.67 0.87 0.00 0.00 6 F 7.30 4.43 0.00 3.12 3.05 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 7 N 8.30 4.30 0.00 2.93 2.87 0.00 0.00 7.35 8.57 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 8 D 8.64 4.28 0.00 3.01 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.68 4.52 0.00 3.38 3.37 0.00 5.95 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.51 4.08 0.00 1.64 1.73 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.82 4.10 0.00 2.87 2.90 0.00 0.00 6.97 7.55 0.00 0.00 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 T 8.19 3.36 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 1.17 0.00 0.00 13 N 7.84 3.99 0.00 3.02 2.77 0.00 0.00 6.99 7.71 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 14 P 0.00 4.22 0.00 2.18 2.06 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 15 K 8.07 3.86 0.00 1.82 1.82 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.55 7.81 16 T 7.80 3.93 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 17 N 8.26 4.36 0.00 2.85 2.79 0.00 0.00 6.82 5.96 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 18 L 8.60 4.01 0.00 1.78 1.84 0.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.01 3.98 0.00 2.12 2.01 0.00 3.26 0.00 0.00 3.53 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 20 L 8.12 4.04 0.00 2.05 1.74 1.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 21 W 8.61 4.12 0.00 3.49 3.21 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 22 V 8.35 3.60 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 1.13 0.00 0.00 1.07 0.00 0.00 23 A 8.55 4.02 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 24 F 8.57 3.85 0.00 3.03 2.91 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 25 Q 8.19 3.79 0.00 1.89 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 26 M 8.36 4.02 0.00 2.02 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 2.60 2.80 0.00 27 M 8.33 4.00 0.00 1.88 2.10 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 28 K 8.39 3.96 0.00 1.79 1.66 0.00 1.28 0.00 0.00 1.44 0.00 0.00 2.69 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.17 1.23 7.81 29 G 8.29 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.51 4.08 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.39 3.63 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 0.00 0.00 0.00 32 W 8.60 4.08 0.00 3.41 3.28 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 33 A 8.54 4.10 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 34 G 8.35 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 35 G 8.46 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.95 3.44 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 0.89 0.00 0.00 0.27 0.00 0.00 37 F 8.37 4.29 0.00 3.22 3.10 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 0.00 0.00 0.00 0.00 38 F 8.93 4.16 0.00 3.35 3.07 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 39 G 8.50 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.11 3.79 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 1.16 0.00 0.00 41 L 7.66 3.82 0.00 1.73 1.43 0.76 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.69 3.86 0.00 1.92 1.56 0.34 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.13 3.94 0.00 1.76 1.50 0.60 0.97 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 44 I 8.58 3.89 1.88 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 1.41 0.95 0.89 0.00 0.00 45 G 8.13 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.32 3.96 0.00 3.16 3.15 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 47 F 8.70 4.17 0.00 3.47 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 48 R 8.52 4.00 0.00 2.31 1.95 0.00 3.18 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 49 V 7.80 3.45 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.78 0.00 0.00 50 V 7.39 3.46 1.86 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 0.65 0.00 0.00 0.04 0.00 0.00 51 G 7.85 3.48 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 0.00 0.00 0.00 0.00 52 R 7.74 3.97 0.00 2.09 1.95 0.00 3.28 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 53 M 7.66 3.16 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 54 L 8.33 3.89 0.00 1.52 1.68 0.89 0.97 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 55 P 0.00 4.14 0.00 2.16 2.06 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 56 I 8.56 3.14 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.39 0.89 0.00 0.00 57 Q 8.40 3.54 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 5.81 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 58 E 8.84 3.88 0.00 2.13 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 2.15 2.25 0.00 59 N 7.82 5.19 0.00 2.61 2.73 0.00 0.00 6.69 7.06 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 60 Q 7.27 4.29 0.00 2.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.45 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 61 A 8.56 4.35 1.20 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 0.00 0.00 62 P 0.00 4.25 0.00 2.04 2.14 0.00 3.68 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 2.02 2.10 0.00 63 A 7.70 4.15 1.24 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 0.00 0.00 64 P 0.00 4.08 0.00 2.04 2.16 0.00 3.80 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 2.03 2.14 0.00 65 N 7.95 4.25 0.00 3.02 2.80 0.00 0.00 7.28 7.19 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 66 I 8.53 3.48 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.20 0.90 0.00 0.00 67 T 7.53 4.35 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 1.19 0.00 0.00 68 G 8.55 4.01 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 0.00 0.00 0.00 69 A 8.50 4.22 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 70 L 7.55 4.34 0.00 1.65 1.59 0.82 0.56 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 71 E 9.19 4.12 0.00 2.12 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 0.00 2.30 2.37 0.00 72 H 8.23 4.53 0.00 3.06 3.26 0.00 5.90 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 8.79 3.77 0.00 3.23 3.30 0.00 5.89 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 H 8.10 4.98 0.00 3.27 3.30 0.00 5.53 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.40 4.58 0.00 3.09 3.18 0.00 5.74 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.97 4.36 0.00 3.18 3.40 0.00 6.07 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.28 4.39 0.00 3.33 3.29 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00