NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3415 8.2649 123.5823 52.1330 19.9490 175.2615 3 S 4.7025 8.0804 112.1510 56.9802 66.5002 168.6630 4 V 4.4253 7.7743 113.2868 60.4487 36.1329 173.2198 5 V 4.2723 8.3312 123.0853 59.8647 33.1413 175.3705 6 I 4.1991 8.2310 125.3501 59.8182 36.8839 175.3095 7 R 4.3109 8.2235 124.1398 55.7576 31.9637 176.1976 8 N 4.0495 8.4268 114.9234 54.3893 35.5061 174.7301 9 L 4.5506 7.4253 118.5066 52.8575 44.0737 176.3595 10 S 4.1915 8.6212 121.4865 58.9958 64.2975 175.0832 11 E 4.1507 8.9909 123.9985 59.7512 29.1617 179.0961 12 A 4.1203 8.0235 120.3819 55.4071 18.4156 179.2561 13 T 3.8200 7.9540 112.6692 67.0003 68.6309 176.0754 14 H 4.1720 8.6750 120.1484 59.6983 29.8320 177.0234 15 N 4.2840 8.9702 118.6079 56.0956 38.2223 177.2265 16 A 4.0037 8.3696 122.7145 55.4409 18.4823 179.8367 17 I 3.7590 8.0291 118.4102 64.1034 37.1078 178.8921 18 K 3.9245 8.2016 119.7243 59.3206 31.9425 178.7878 19 F 3.9561 8.4139 121.0976 61.4132 39.1937 176.7813 20 R 3.8416 8.4018 117.9732 59.5896 29.8076 177.9007 21 A 3.9356 8.0500 120.0817 55.3773 18.4095 179.4003 22 R 3.7458 8.2553 116.2781 59.6118 30.0059 178.8462 23 A 3.7820 7.7895 118.8673 55.2062 18.3874 178.7980 24 A 4.2497 7.9405 115.9807 51.9841 18.6077 177.8430 25 G 3.7840 8.4871 106.1278 46.0258 0.0000 173.5130 26 R 4.6251 7.8724 115.5694 53.2315 32.8605 174.9544 27 S 4.5008 8.2277 112.3033 58.1196 65.3467 175.0902 28 T 3.8915 8.2640 119.2940 66.8162 68.3631 176.6842 29 E 3.9150 8.1862 120.5022 58.9737 29.6840 178.5090 30 A 4.0746 8.1704 121.2556 54.8008 18.4656 179.5064 31 E 3.9102 8.5224 117.7582 59.6405 29.5496 179.6300 32 I 3.7518 8.0727 120.1927 64.2364 37.0807 178.2590 33 R 3.8889 7.8810 119.4190 59.3966 29.7791 178.3480 34 L 4.0194 7.8242 119.7934 58.2855 42.1741 178.5803 35 I 3.6931 8.1405 120.1720 64.6508 37.1114 178.3581 36 L 3.9743 8.3558 119.7133 57.8246 41.4761 178.9974 37 D 4.3754 8.2092 119.0856 57.7853 40.8330 178.8539 38 N 4.3395 8.5170 116.9301 56.3703 38.5932 177.5410 39 I 3.6538 7.6334 120.4341 64.3604 37.2579 178.2173 40 A 3.9967 8.4305 121.9408 55.1866 17.9692 179.4942 41 K 3.8565 8.4835 117.0085 59.6992 32.2719 178.5631 42 A 4.1363 7.7538 120.2589 55.0973 18.3329 179.2920 43 Q 4.2321 7.7226 115.5131 57.9471 29.9935 177.6183 44 Q 4.3195 7.7069 121.1336 56.7786 26.1449 175.9722 45 T 4.0489 7.9070 120.5038 65.5660 69.3063 175.3594 46 V 4.4215 7.4829 112.1674 59.4872 34.8756 176.0325 47 R 4.4039 8.1475 122.1226 54.2666 30.1249 176.4780 48 L 4.0289 8.6952 125.3378 59.0207 42.0329 177.9832 49 G 3.6889 8.3782 104.5369 47.3881 0.0000 174.9012 50 S 4.2035 8.1170 115.5712 61.2182 63.3820 176.7740 51 M 4.0030 8.4107 120.8373 58.8189 32.0584 178.4001 52 L 4.0440 8.2132 119.0577 57.4311 41.7280 179.1094 53 A 3.9681 8.5072 121.2259 55.4758 18.3102 179.4194 54 S 4.0350 8.0792 113.3628 62.1133 62.9633 176.8654 55 I 3.7477 7.3464 121.2374 64.6282 36.9634 178.2108 56 G 3.7657 8.0107 105.9929 48.4110 0.0000 175.5480 57 Q 4.2517 8.5350 121.3677 58.3290 28.4154 178.8710 58 E 4.0555 8.4878 120.5406 58.2562 29.7723 177.8058 59 I 4.3487 7.5511 110.0870 59.6794 38.2632 175.4012 60 G 3.7011 7.9669 107.2300 46.8396 0.0000 171.1684 61 G 4.0056 8.5594 114.5947 44.4722 0.0000 174.5393 62 V 4.3886 8.0321 113.8868 59.1913 35.5100 174.8177 63 E 4.4674 8.6377 123.7048 54.3530 30.2127 175.2053 64 L 4.3685 8.3467 126.9808 53.4537 42.7331 176.6747 65 E 3.8540 8.7446 122.3595 56.4028 29.5971 175.8020 66 D 3.9613 8.1688 119.7571 53.2286 41.3855 174.8149 67 V 3.1676 7.7040 128.7498 62.1091 29.5748 172.3720 68 R 4.1169 8.0768 123.3510 56.7650 30.2670 173.7446 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 2 A 8.26 4.34 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 3 S 8.08 4.70 0.00 3.90 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 4 V 7.77 4.43 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 0.64 0.00 0.00 0.93 0.00 0.00 5 V 8.33 4.27 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 0.76 0.00 0.00 0.93 0.00 0.00 6 I 8.23 4.20 1.87 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 1.42 0.49 0.91 0.00 0.00 7 R 8.22 4.31 0.00 1.79 1.84 0.00 3.36 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 8 N 8.43 4.05 0.00 2.85 2.85 0.00 0.00 6.77 7.85 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 9 L 7.43 4.55 0.00 1.56 1.52 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.62 4.19 0.00 4.09 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.99 4.15 0.00 2.01 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 0.00 2.41 2.35 0.00 12 A 8.02 4.12 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 13 T 7.95 3.82 4.39 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 1.23 0.00 0.00 14 H 8.68 4.17 0.00 3.26 3.43 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.97 4.28 0.00 2.90 2.86 0.00 0.00 7.00 5.66 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 16 A 8.37 4.00 1.38 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 0.00 0.00 17 I 8.03 3.76 2.00 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 1.87 0.90 0.93 0.00 0.00 18 K 8.20 3.92 0.00 1.95 1.86 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.24 7.81 19 F 8.41 3.96 0.00 3.23 3.33 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 0.00 20 R 8.40 3.84 0.00 2.14 2.11 0.00 3.20 0.00 0.00 3.44 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 21 A 8.05 3.94 1.48 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 22 R 8.26 3.75 0.00 1.74 1.88 0.00 3.12 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.89 0.00 23 A 7.79 3.78 0.96 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 0.00 0.00 24 A 7.94 4.25 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 25 G 8.49 3.78 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 0.00 0.00 0.00 26 R 7.87 4.63 0.00 1.85 1.87 0.00 3.05 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 27 S 8.23 4.50 0.00 4.07 4.02 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 0.00 0.00 0.00 28 T 8.26 3.89 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 29 E 8.19 3.91 0.00 2.04 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 2.38 2.38 0.00 30 A 8.17 4.07 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.52 3.91 0.00 2.20 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 2.31 2.58 0.00 32 I 8.07 3.75 1.88 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 1.42 0.69 0.92 0.00 0.00 33 R 7.88 3.89 0.00 2.09 2.16 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.65 0.00 34 L 7.82 4.02 0.00 1.98 1.74 0.92 1.10 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 35 I 8.14 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 1.53 1.33 0.92 0.00 0.00 36 L 8.36 3.97 0.00 1.86 1.72 0.93 1.03 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 37 D 8.21 4.38 0.00 2.87 2.74 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 38 N 8.52 4.34 0.00 2.87 2.87 0.00 0.00 7.12 7.01 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 39 I 7.63 3.65 2.05 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 1.00 0.91 0.00 0.00 40 A 8.43 4.00 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 41 K 8.48 3.86 0.00 1.81 2.04 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 42 A 7.75 4.14 1.38 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 0.00 0.00 43 Q 7.72 4.23 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.27 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 44 Q 7.71 4.32 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 45 T 7.91 4.05 4.24 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 1.21 0.00 0.00 46 V 7.48 4.42 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 0.75 0.00 0.00 0.93 0.00 0.00 47 R 8.15 4.40 0.00 1.85 1.87 0.00 3.15 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.58 0.00 48 L 8.70 4.03 0.00 1.75 1.69 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.38 3.69 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 0.00 0.00 0.00 50 S 8.12 4.20 0.00 3.87 3.97 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 51 M 8.41 4.00 0.00 2.11 2.28 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.73 0.00 52 L 8.21 4.04 0.00 1.86 1.70 0.92 1.08 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 53 A 8.51 3.97 1.38 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 0.00 0.00 54 S 8.08 4.03 0.00 4.04 3.95 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 55 I 7.35 3.75 2.00 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 1.63 0.82 0.91 0.00 0.00 56 G 8.01 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 0.00 0.00 0.00 57 Q 8.54 4.25 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 58 E 8.49 4.06 0.00 2.03 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 0.00 2.32 2.31 0.00 59 I 7.55 4.35 1.87 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 1.76 0.87 0.91 0.00 0.00 60 G 7.97 3.70 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 0.00 0.00 0.00 61 G 8.56 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 62 V 8.03 4.39 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 0.74 0.00 0.00 0.93 0.00 0.00 63 E 8.64 4.47 0.00 1.88 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 2.19 2.35 0.00 64 L 8.35 4.37 0.00 1.67 1.58 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.74 3.85 0.00 1.93 1.93 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 2.33 2.41 0.00 66 D 8.17 3.96 0.00 2.63 2.53 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 67 V 7.70 3.17 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 0.78 0.00 0.00 0.93 0.00 0.00 68 R 8.08 4.12 0.00 1.84 1.78 0.00 3.32 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.37 0.00