NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 46 A 4.3291 8.2493 123.5850 51.0063 21.3500 177.6863 47 T 4.1766 7.3884 105.3119 60.2595 70.0076 173.6336 48 E 4.0247 8.2766 121.0611 59.0480 30.0507 179.6953 49 L 3.9028 7.9292 121.0021 58.2153 42.1422 178.7230 50 V 3.5038 7.8197 117.4308 66.4213 31.2090 177.6004 51 N 4.3299 7.7312 115.0038 56.1452 38.2475 177.6778 52 K 3.9859 7.9010 119.6391 59.2431 32.0799 179.4956 53 I 3.0790 7.5538 120.0554 64.2598 36.9242 178.3888 54 S 4.1047 7.7997 115.8835 61.7636 62.6304 176.7519 55 E 3.9674 8.3635 121.0906 59.5427 28.9567 179.1134 56 N 4.3967 8.3665 116.5523 56.8645 38.7925 176.9746 57 C 4.4148 9.0004 118.0774 59.4925 34.7107 175.9556 58 F 4.0364 8.6872 123.0124 61.4819 38.8174 176.9769 59 E 4.0619 8.4304 116.8233 59.0369 29.3402 178.7883 60 K 4.3349 7.7142 116.0173 57.2611 32.7877 177.1456 61 C 4.8164 7.9755 114.5918 55.6574 42.0445 173.7671 62 L 4.8505 7.1391 119.4782 52.9627 44.8701 176.0624 63 T 4.3639 7.8069 118.0189 61.0436 72.4384 173.0760 64 S 3.2636 7.7558 118.6646 57.9112 62.6545 172.5064 65 P 4.4063 0.0000 0.0000 62.8062 31.1201 175.4468 66 Y 3.5685 6.9750 114.4997 59.4444 35.8130 172.1451 67 A 4.1212 8.1238 122.1640 55.2355 19.0558 178.8219 68 T 4.3095 7.5285 111.3329 62.4099 69.9207 174.9739 69 R 4.3594 8.3415 124.5919 55.1200 30.5215 176.3877 70 N 4.7530 8.1989 129.0190 52.1995 37.9221 175.0077 71 D 4.3904 7.9752 122.0217 57.2721 41.3323 178.3407 72 A 4.0123 7.9539 120.8734 55.2916 18.3679 180.0435 73 C 4.2643 8.2774 116.5485 59.7043 39.1828 175.7008 74 I 3.6745 7.5059 121.0679 64.4206 36.6423 177.9714 75 D 4.3624 7.9334 119.2398 57.5309 40.6721 178.9450 76 Q 3.9804 7.8429 117.9968 59.1958 28.7392 178.0101 77 C 4.2289 8.4452 119.6578 59.6474 44.7271 175.1532 78 L 3.9091 8.5710 121.7960 58.2178 41.6641 178.5171 79 A 4.0167 8.1942 120.6151 55.4133 18.3406 179.4368 80 K 3.8891 8.7293 118.1035 59.8098 32.1653 178.3199 81 Y 3.9071 8.4579 120.1969 61.0755 38.9246 177.9796 82 M 4.2899 8.4457 119.6333 58.3789 32.0007 178.9634 83 R 4.0395 8.1509 118.4709 59.3521 30.1984 179.2796 84 S 4.1163 7.8942 114.6746 61.0730 62.7208 176.4046 85 W 3.9423 8.2200 131.1244 60.5694 30.4898 177.6841 86 N 4.5621 8.3810 116.0439 56.5820 38.0016 177.6051 87 V 3.6267 7.6975 119.1011 65.9394 31.6006 178.2424 88 I 3.6633 7.7603 119.9119 64.2875 36.9076 178.5437 89 S 4.0414 7.8996 115.2686 61.0481 62.6525 176.5329 90 K 3.8679 8.0755 122.9622 59.2590 31.8189 178.5189 91 A 3.9707 7.8324 119.6441 55.3349 18.5794 178.6399 92 Y 4.2017 8.4769 118.1118 61.1372 38.7991 178.5290 93 I 3.5442 7.9843 120.7581 64.3387 36.9904 178.5466 94 S 4.1611 7.9658 114.7158 60.4198 62.7008 175.4761 95 R 4.3180 7.4242 119.8170 55.7096 31.1059 176.0061 96 I 4.0554 6.9771 112.5079 66.4790 37.3214 175.6503 97 Q 3.5601 7.1106 121.9489 56.8555 29.9581 175.7780 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 46 A 8.25 4.33 1.26 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 0.00 0.00 0.00 47 T 7.39 4.18 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 1.19 0.00 0.00 48 E 8.28 4.02 0.00 2.22 2.25 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 2.38 2.39 0.00 49 L 7.93 3.90 0.00 1.81 1.69 1.05 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.82 3.50 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 0.96 0.00 0.00 0.88 0.00 0.00 51 N 7.73 4.33 0.00 3.01 2.80 0.00 0.00 7.07 8.20 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 52 K 7.90 3.99 0.00 1.90 1.89 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.49 7.81 53 I 7.55 3.08 1.60 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.53 0.61 0.00 0.00 54 S 7.80 4.10 0.00 4.03 3.88 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 55 E 8.36 3.97 0.00 2.17 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 2.27 2.52 0.00 56 N 8.37 4.40 0.00 3.00 3.03 0.00 0.00 7.13 8.52 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 57 C 9.00 4.41 0.00 3.03 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 8.69 4.04 0.00 3.25 3.22 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 59 E 8.43 4.06 0.00 2.20 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 0.00 2.53 2.80 0.00 60 K 7.71 4.33 0.00 1.75 1.87 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.79 7.81 61 C 7.98 4.82 0.00 3.04 3.08 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 62 L 7.14 4.85 0.00 1.05 1.43 0.87 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.81 4.36 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 1.09 0.00 0.00 64 S 7.76 3.26 0.00 3.59 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.41 0.00 2.21 2.10 0.00 3.85 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 66 Y 6.97 3.57 0.00 3.27 3.12 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 0.00 0.00 0.00 0.00 67 A 8.12 4.12 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 7.53 4.31 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 1.21 0.00 0.00 69 R 8.34 4.36 0.00 1.77 1.86 0.00 3.24 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 70 N 8.20 4.75 0.00 2.82 2.68 0.00 0.00 7.13 8.49 0.00 0.00 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 D 7.98 4.39 0.00 2.76 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 72 A 7.95 4.01 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 73 C 8.28 4.26 0.00 3.09 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 74 I 7.51 3.67 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 1.76 0.81 0.92 0.00 0.00 75 D 7.93 4.36 0.00 2.89 2.73 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 76 Q 7.84 3.98 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 77 C 8.45 4.23 0.00 3.11 3.30 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 78 L 8.57 3.91 0.00 1.74 1.93 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.19 4.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.73 3.89 0.00 2.06 1.99 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 81 Y 8.46 3.91 0.00 3.33 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 82 M 8.45 4.29 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.94 0.00 83 R 8.15 4.04 0.00 2.07 2.01 0.00 3.15 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 84 S 7.89 4.12 0.00 3.83 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 85 W 8.22 3.94 0.00 3.56 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 86 N 8.38 4.56 0.00 3.14 2.96 0.00 0.00 6.72 7.02 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 87 V 7.70 3.63 2.21 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 1.02 0.00 0.00 0.97 0.00 0.00 88 I 7.76 3.66 1.74 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.29 0.67 0.00 0.00 89 S 7.90 4.04 0.00 3.73 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.08 3.87 0.00 1.88 2.08 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.45 7.81 91 A 7.83 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 92 Y 8.48 4.20 0.00 2.97 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 93 I 7.98 3.54 1.93 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 1.52 0.66 0.88 0.00 0.00 94 S 7.97 4.16 0.00 3.96 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 7.42 4.32 0.00 2.02 1.79 0.00 3.34 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 96 I 6.98 4.06 1.71 0.00 0.00 0.43 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 0.65 0.57 0.00 0.00 97 Q 7.11 3.56 0.00 2.22 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.68 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00